cif stringlengths 674 4.09k | formula stringlengths 1 20 | spacegroup stringlengths 2 10 | spacegroup_number int64 1 230 | crystal_system stringclasses 7 values | pointgroup stringlengths 1 5 | density float64 91.6 41.4k | is_longer_than_allowed bool 2 classes |
|---|---|---|---|---|---|---|---|
[CIF]
data_Ni2SnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.37337335
_cell_length_b 4.37337335
_cell_length_c 4.37337335
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ni2SnP
_chemical_formula_sum 'Ni2 Sn1 P1'
_cell_volume 59.14726448
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 3.09244195 3.09244195 3.09244195 1
Ni Ni1 1 1.54622098 1.54622098 1.54622098 1
P P2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 4.63866293 4.63866293 4.63866293 1
[/CIF]
| Ni2PSn | F-43m | 216 | cubic | -43m | 7,497.913988 | false |
[CIF]
data_Li8Mn3Fe5(BO3)8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00731200
_cell_length_b 9.72835133
_cell_length_c 9.76905267
_cell_angle_alpha 64.98357489
_cell_angle_beta 79.56472713
_cell_angle_gamma 78.59927332
_symmetry_Int_Tables_number 1
_chemical_formula_structural Li8Mn3Fe5(BO3)8
_chemical_formula_sum 'Li8 Mn3 Fe5 B8 O24'
_cell_volume 504.08164611
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 2.62028665 7.58679163 7.17402402 1
Li Li1 1 2.66387843 10.40089786 2.74008039 1
Li Li2 1 3.13800479 1.05135192 1.65161895 1
Li Li3 1 4.70982715 5.65580592 2.74758599 1
Li Li4 1 4.97650542 7.74271584 6.04618678 1
Li Li5 1 6.56867009 12.35514112 7.16303399 1
Li Li6 1 7.01397368 2.98252294 6.03158033 1
Li Li7 1 7.10408864 5.82431755 1.65872859 1
Mn Mn8 1 3.56093436 5.21365316 5.48411156 1
Mn Mn9 1 6.06855050 5.34453707 7.72439648 1
Mn Mn10 1 7.52037457 9.97715766 5.48123426 1
Fe Fe11 1 2.14290362 3.36951428 3.27568803 1
Fe Fe12 1 3.64122214 8.01664096 1.07696987 1
Fe Fe13 1 3.99682448 10.10594123 7.67059023 1
Fe Fe14 1 5.70780676 3.32143552 1.13877447 1
Fe Fe15 1 6.10566437 8.17463493 3.24646635 1
B B16 1 2.78350236 3.67248059 0.36652489 1
B B17 1 2.97626129 4.96858803 8.48987080 1
B B18 1 3.02383159 7.82405088 4.04558827 1
B B19 1 4.62731149 10.34807336 4.74430411 1
B B20 1 5.06767893 3.03963806 4.04440920 1
B B21 1 6.64993056 5.58545112 4.72589647 1
B B22 1 6.76514076 8.40416290 0.33056312 1
B B23 1 6.92841248 9.73267552 8.46652689 1
O O24 1 1.29759214 0.52239031 0.93817348 1
O O25 1 1.53362885 4.52414695 4.93779546 1
O O26 1 1.63996304 7.33856350 0.56083455 1
O O27 1 1.93821806 4.09517707 1.39458078 1
O O28 1 3.11799708 7.26924607 5.30800715 1
O O29 1 3.67723828 2.62218060 0.60211095 1
O O30 1 3.82525763 10.78643646 5.79743732 1
O O31 1 3.79558330 4.54484226 7.44845793 1
O O32 1 3.86687334 7.41219920 3.01479587 1
O O33 1 4.16942372 4.08087338 3.79800029 1
O O34 1 4.47239666 8.10653254 7.91192207 1
O O35 1 4.51634678 10.94222472 3.50405006 1
O O36 1 5.15695258 2.48499389 5.30886946 1
O O37 1 5.24617028 5.29014364 0.91483837 1
O O38 1 5.50223327 9.27576687 4.93798024 1
O O39 1 5.82693312 6.01089992 5.76453763 1
O O40 1 5.94778163 8.85142596 1.37012819 1
O O41 1 5.90494319 2.59789763 3.01796354 1
O O42 1 6.03090003 10.79525930 8.25732921 1
O O43 1 6.55648514 6.16889264 3.47928950 1
O O44 1 7.75621472 9.31700221 7.43506576 1
O O45 1 8.09492825 6.03249410 8.27218203 1
O O46 1 8.12182606 8.86100630 3.80270779 1
O O47 1 8.43603663 12.82407452 7.87561715 1
[/CIF]
| B8Fe5Li8Mn3O24 | P1 | 1 | triclinic | 1 | 3,195.495311 | true |
[CIF]
data_CaAl2In
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08984672
_cell_length_b 5.08984672
_cell_length_c 5.08984672
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaAl2In
_chemical_formula_sum 'Ca1 Al2 In1'
_cell_volume 93.23932339
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 5.39859770 5.39859770 5.39859770 1
Al Al1 1 1.79953257 1.79953257 1.79953257 1
Ca Ca2 1 0.00000000 0.00000000 0.00000000 1
In In3 1 3.59906513 3.59906513 3.59906513 1
[/CIF]
| Al2CaIn | Fm-3m | 225 | cubic | m-3m | 3,719.66081 | false |
[CIF]
data_AsWAu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83370851
_cell_length_b 4.77855207
_cell_length_c 5.29124371
_cell_angle_alpha 90.00000000
_cell_angle_beta 103.49175431
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AsWAu2
_chemical_formula_sum 'As1 W1 Au2'
_cell_volume 69.67159911
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Au Au1 1 0.67910090 2.38927603 1.26363417 1
Au Au2 1 0.92013176 2.38927603 3.88158976 1
W W3 1 -0.61723793 0.00000000 2.57261197 1
[/CIF]
| AsAu2W | P2/m | 10 | monoclinic | 2/m | 15,556.196855 | false |
[CIF]
data_CaSnAu4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.65839880
_cell_length_b 5.65839880
_cell_length_c 5.65839880
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaSnAu4
_chemical_formula_sum 'Ca1 Sn1 Au4'
_cell_volume 128.10487599
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 3.00018001 3.00018001 5.00200431 1
Au Au1 1 3.00018001 5.00200431 3.00018001 1
Au Au2 1 5.00200431 3.00018001 3.00018001 1
Au Au3 1 5.00200431 5.00200431 5.00200431 1
Ca Ca4 1 0.00000000 0.00000000 0.00000000 1
Sn Sn5 1 2.00054608 2.00054608 2.00054608 1
[/CIF]
| Au4CaSn | F-43m | 216 | cubic | -43m | 12,270.855389 | false |
[CIF]
data_Bi2MoP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30473165
_cell_length_b 3.30473165
_cell_length_c 8.24265822
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Bi2MoP
_chemical_formula_sum 'Bi2 Mo1 P1'
_cell_volume 90.02014162
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Bi Bi0 1 1.65236582 1.65236582 7.67518681 1
Bi Bi1 1 0.00000000 0.00000000 2.62336915 1
Mo Mo2 1 1.65236582 1.65236582 4.67234249 1
P P3 1 0.00000000 0.00000000 5.63574702 1
[/CIF]
| Bi2MoP | P4mm | 99 | tetragonal | 4mm | 10,051.291756 | false |
[CIF]
data_MgZn3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.04098689
_cell_length_b 4.04098689
_cell_length_c 4.04098689
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgZn3
_chemical_formula_sum 'Mg1 Zn3'
_cell_volume 65.98759851
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1
Zn Zn1 1 2.02049344 0.00000000 2.02049344 1
Zn Zn2 1 2.02049344 2.02049344 0.00000000 1
Zn Zn3 1 0.00000000 2.02049344 2.02049344 1
[/CIF]
| MgZn3 | Pm-3m | 221 | cubic | m-3m | 5,547.744713 | false |
[CIF]
data_NiPRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00016189
_cell_length_b 5.00016189
_cell_length_c 5.00016189
_cell_angle_alpha 146.81984655
_cell_angle_beta 131.50374523
_cell_angle_gamma 60.02494322
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiPRu2
_chemical_formula_sum 'Ni1 P1 Ru2'
_cell_volume 50.77401653
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ni Ni0 1 -0.00000000 2.05351175 0.37901823 1
P P1 1 -0.00000000 0.00000000 6.46516720 1
Ru Ru2 1 0.00000000 2.05351175 4.03697728 1
Ru Ru3 1 0.00000000 -0.00000000 2.10800596 1
[/CIF]
| NiPRu2 | Imm2 | 44 | orthorhombic | mm2 | 9,543.408726 | false |
[CIF]
data_YTaSi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78418738
_cell_length_b 4.78418738
_cell_length_c 4.78418738
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YTaSi
_chemical_formula_sum 'Y1 Ta1 Si1'
_cell_volume 77.43005112
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si Si0 1 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 3.38293134 3.38293134 3.38293134 1
Y Y2 1 5.07439701 5.07439701 5.07439701 1
[/CIF]
| SiTaY | F-43m | 216 | cubic | -43m | 6,389.505415 | false |
[CIF]
data_TcPd2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64926762
_cell_length_b 4.64926762
_cell_length_c 4.64926762
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcPd2Pb
_chemical_formula_sum 'Tc1 Pd2 Pb1'
_cell_volume 71.06219834
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb Pb0 1 3.28752866 3.28752866 3.28752866 1
Pd Pd1 1 4.93129299 4.93129299 4.93129299 1
Pd Pd2 1 1.64376433 1.64376433 1.64376433 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| PbPd2Tc | Fm-3m | 225 | cubic | m-3m | 12,126.425281 | false |
[CIF]
data_ScOs2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.11860354
_cell_length_b 3.11860354
_cell_length_c 6.56530711
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScOs2Cl
_chemical_formula_sum 'Sc1 Os2 Cl1'
_cell_volume 63.85212884
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 1.55930177 1.55930177 1.63869560 1
Os Os2 1 1.55930177 1.55930177 4.92661151 1
Sc Sc3 1 0.00000000 0.00000000 3.28265356 1
[/CIF]
| ClOs2Sc | P4/mmm | 123 | tetragonal | 4/mmm | 11,985.361286 | false |
[CIF]
data_Hf2Nb2Cr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.62517319
_cell_length_b 7.62517319
_cell_length_c 7.62517319
_cell_angle_alpha 151.66670782
_cell_angle_beta 151.66670782
_cell_angle_gamma 40.50022069
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2Nb2Cr
_chemical_formula_sum 'Hf2 Nb2 Cr1'
_cell_volume 99.65997663
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 0.00000000 0.00000000 8.49629108 1
Hf Hf2 1 -0.00000000 0.00000000 5.81144160 1
Nb Nb3 1 0.00000000 1.86620773 3.57693317 1
Nb Nb4 1 1.86620773 -0.00000000 3.57693317 1
[/CIF]
| CrHf2Nb2 | I4/mmm | 139 | tetragonal | 4/mmm | 9,910.399057 | false |
[CIF]
data_BaB2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.74467120
_cell_length_b 4.74467120
_cell_length_c 7.58640507
_cell_angle_alpha 100.20259763
_cell_angle_beta 100.20259763
_cell_angle_gamma 40.24749437
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaB2Cl
_chemical_formula_sum 'Ba1 B2 Cl1'
_cell_volume 108.36103970
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 6.29148487 0.00000000 6.10536485 1
B B1 1 1.77457716 -0.00000000 6.09933742 1
Ba Ba2 1 4.01854877 -0.00000000 4.03580715 1
Cl Cl3 1 6.61261565 -0.00000000 2.38497195 1
[/CIF]
| B2BaCl | Cm | 8 | monoclinic | m | 2,979.042251 | false |
[CIF]
data_Ca2GaTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.30451442
_cell_length_b 4.29683601
_cell_length_c 6.35018587
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ca2GaTc
_chemical_formula_sum 'Ca2 Ga1 Tc1'
_cell_volume 90.16601329
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 1.65225721 2.14841800 4.71979013 1
Ca Ca1 1 1.65225721 2.14841800 1.63039574 1
Ga Ga2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 0.00000000 0.00000000 3.17509294 1
[/CIF]
| Ca2GaTc | Pmmm | 47 | orthorhombic | mmm | 4,581.743483 | false |
[CIF]
data_CaAlBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.13501675
_cell_length_b 7.13501675
_cell_length_c 7.13501675
_cell_angle_alpha 150.04961312
_cell_angle_beta 150.04961312
_cell_angle_gamma 42.86858114
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaAlBr
_chemical_formula_sum 'Ca1 Al1 Br1'
_cell_volume 90.30390175
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 -0.00000000 0.44897897 1
Br Br1 1 0.00000000 -0.00000000 3.87046265 1
Ca Ca2 1 0.00000000 0.00000000 8.96363751 1
[/CIF]
| AlBrCa | I4mm | 107 | tetragonal | 4mm | 2,702.41587 | false |
[CIF]
data_HfTiMnRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.42465390
_cell_length_b 4.42465390
_cell_length_c 4.42465390
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfTiMnRh
_chemical_formula_sum 'Hf1 Ti1 Mn1 Rh1'
_cell_volume 61.25237319
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 3.12870278 3.12870278 3.12870278 1
Mn Mn1 1 1.56435139 1.56435139 1.56435139 1
Rh Rh2 1 4.69305417 4.69305417 4.69305417 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| HfMnRhTi | F-43m | 216 | cubic | -43m | 10,415.596672 | false |
[CIF]
data_YSc2Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32332282
_cell_length_b 4.38309076
_cell_length_c 6.25036297
_cell_angle_alpha 90.00000000
_cell_angle_beta 104.14692521
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural YSc2Tc
_chemical_formula_sum 'Y1 Sc2 Tc1'
_cell_volume 88.28423585
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 1.79897693 2.19154538 1.77092585 1
Sc Sc1 1 -0.00330066 2.19154538 4.28987717 1
Tc Tc2 1 0.89783813 0.00000000 3.03040151 1
Y Y3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Sc2TcY | P2/m | 10 | monoclinic | 2/m | 5,223.711097 | false |
[CIF]
data_SrYSc2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.62516684
_cell_length_b 5.62516684
_cell_length_c 5.62516684
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrYSc2
_chemical_formula_sum 'Sr1 Y1 Sc2'
_cell_volume 125.86101412
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Sc Sc0 1 0.00000000 0.00000000 0.00000000 1
Sc Sc1 1 5.96639043 5.96639043 5.96639043 1
Sr Sr2 1 3.97759362 3.97759362 3.97759362 1
Y Y3 1 1.98879681 1.98879681 1.98879681 1
[/CIF]
| Sc2SrY | F-43m | 216 | cubic | -43m | 3,515.228044 | false |
[CIF]
data_NaAl2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.88541358
_cell_length_b 4.88541358
_cell_length_c 4.88541358
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaAl2Hg
_chemical_formula_sum 'Na1 Al2 Hg1'
_cell_volume 82.44968628
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 5.18176361 5.18176361 5.18176361 1
Al Al1 1 3.45450907 3.45450907 3.45450907 1
Hg Hg2 1 1.72725454 1.72725454 1.72725454 1
Na Na3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Al2HgNa | F-43m | 216 | cubic | -43m | 5,589.720956 | false |
[CIF]
data_ZrNb2V
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.68582235
_cell_length_b 4.68582235
_cell_length_c 4.68582235
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrNb2V
_chemical_formula_sum 'Zr1 Nb2 V1'
_cell_volume 72.75158525
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 3.31337676 3.31337676 3.31337676 1
Nb Nb1 1 4.97006514 4.97006514 4.97006514 1
V V2 1 0.00000000 0.00000000 0.00000000 1
Zr Zr3 1 1.65668838 1.65668838 1.65668838 1
[/CIF]
| Nb2VZr | F-43m | 216 | cubic | -43m | 7,486.032254 | false |
[CIF]
data_TcSeCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.76782058
_cell_length_b 9.76782058
_cell_length_c 9.76782058
_cell_angle_alpha 18.41895762
_cell_angle_beta 18.41895762
_cell_angle_gamma 18.41895762
_symmetry_Int_Tables_number 1
_chemical_formula_structural TcSeCl2
_chemical_formula_sum 'Tc1 Se1 Cl2'
_cell_volume 81.26797500
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cl Cl0 1 -0.00000000 0.00000000 22.34613562 1
Cl Cl1 1 -0.00000000 -0.00000000 6.45258858 1
Se Se2 1 0.00000000 0.00000000 0.00000000 1
Tc Tc3 1 -0.00000000 -0.00000000 14.39936210 1
[/CIF]
| Cl2SeTc | R-3m | 166 | trigonal | -3m | 5,083.133385 | false |
[CIF]
data_Cs2RbCa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76803327
_cell_length_b 7.76803327
_cell_length_c 7.76803327
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cs2RbCa
_chemical_formula_sum 'Cs2 Rb1 Ca1'
_cell_volume 331.45015973
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Cs Cs1 1 2.74641450 2.74641450 2.74641450 1
Cs Cs2 1 8.23924350 8.23924350 8.23924350 1
Rb Rb3 1 5.49282900 5.49282900 5.49282900 1
[/CIF]
| CaCs2Rb | Fm-3m | 225 | cubic | m-3m | 1,960.666111 | false |
[CIF]
data_TlFe2Te
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.19620877
_cell_length_b 3.19620877
_cell_length_c 8.35177410
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 111.30376236
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlFe2Te
_chemical_formula_sum 'Tl1 Fe2 Te1'
_cell_volume 79.48952510
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 1.80336374 0.00000000 6.34900773 1
Fe Fe1 1 1.80336374 0.00000000 2.00276637 1
Te Te2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 0.00000000 0.00000000 4.17588705 1
[/CIF]
| Fe2TeTl | Cmmm | 65 | orthorhombic | mmm | 9,268.351353 | false |
[CIF]
data_SiSbPb4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40225880
_cell_length_b 6.40225880
_cell_length_c 6.40225880
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiSbPb4
_chemical_formula_sum 'Si1 Sb1 Pb4'
_cell_volume 185.56013454
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb Pb0 1 5.66149180 5.66149180 3.39266942 1
Pb Pb1 1 5.66149180 3.39266942 5.66149180 1
Pb Pb2 1 3.39266942 5.66149180 5.66149180 1
Pb Pb3 1 3.39266942 3.39266942 3.39266942 1
Sb Sb4 1 6.79062092 6.79062092 6.79062092 1
Si Si5 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Pb4SbSi | F-43m | 216 | cubic | -43m | 8,757.695122 | false |
[CIF]
data_HfZnCd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.32418643
_cell_length_b 5.32418643
_cell_length_c 5.32418643
_cell_angle_alpha 132.71916152
_cell_angle_beta 132.71916152
_cell_angle_gamma 69.09553369
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfZnCd2
_chemical_formula_sum 'Hf1 Zn1 Cd2'
_cell_volume 79.95454259
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 2.13497416 0.00000000 2.19264292 1
Cd Cd1 1 0.00000000 2.13497416 2.19264291 1
Hf Hf2 1 0.00000000 -0.00000000 4.38528583 1
Zn Zn3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cd2HfZn | I4/mmm | 139 | tetragonal | 4/mmm | 9,734.048261 | false |
[CIF]
data_HoSiSn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17410519
_cell_length_b 5.17410519
_cell_length_c 5.17410519
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HoSiSn2
_chemical_formula_sum 'Ho1 Si1 Sn2'
_cell_volume 97.94691524
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ho Ho0 1 3.65864487 3.65864486 3.65864486 1
Si Si1 1 0.00000000 0.00000000 0.00000000 1
Sn Sn2 1 1.82932243 1.82932243 1.82932243 1
Sn Sn3 1 5.48796730 5.48796730 5.48796730 1
[/CIF]
| HoSiSn2 | Fm-3m | 225 | cubic | m-3m | 7,297.376267 | false |
[CIF]
data_Re2OsRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.38920287
_cell_length_b 4.38920287
_cell_length_c 4.38920287
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Re2OsRh
_chemical_formula_sum 'Re2 Os1 Rh1'
_cell_volume 59.79184632
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Os Os0 1 3.10363511 3.10363511 3.10363511 1
Re Re1 1 1.55181755 1.55181755 1.55181756 1
Re Re2 1 4.65545266 4.65545267 4.65545267 1
Rh Rh3 1 -0.00000000 -0.00000000 -0.00000000 1
[/CIF]
| OsRe2Rh | Fm-3m | 225 | cubic | m-3m | 18,483.639719 | false |
[CIF]
data_Cd2GeO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.40692300
_cell_length_b 6.69390900
_cell_length_c 5.28807000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cd2GeO4
_chemical_formula_sum 'Cd8 Ge4 O16'
_cell_volume 403.78065615
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 2.50518843 5.02043175 2.59007025 1
Cd Cd1 1 3.19827307 1.67347725 5.23410525 1
Cd Cd2 1 8.90173457 1.67347725 2.69799975 1
Cd Cd3 1 8.20864993 5.02043175 0.05396475 1
Cd Cd4 1 5.70346150 3.34695450 2.64403500 1
Cd Cd5 1 0.00000000 3.34695450 0.00000000 1
Cd Cd6 1 5.70346150 0.00000000 2.64403500 1
Cd Cd7 1 0.00000000 0.00000000 0.00000000 1
Ge Ge8 1 4.58590244 5.02043175 4.93412361 1
Ge Ge9 1 1.11755906 1.67347725 2.29008861 1
Ge Ge10 1 6.82102056 1.67347725 0.35394639 1
Ge Ge11 1 10.28936394 5.02043175 2.99798139 1
O O12 1 7.57971782 3.08338853 1.16376672 1
O O13 1 9.53066668 3.61052047 3.80780172 1
O O14 1 3.82720518 6.43034303 4.12430328 1
O O15 1 1.87625632 0.26356597 1.48026828 1
O O16 1 3.82720518 3.61052047 4.12430328 1
O O17 1 1.87625632 3.08338853 1.48026828 1
O O18 1 7.57971782 0.26356597 1.16376672 1
O O19 1 9.53066668 6.43034303 3.80780172 1
O O20 1 6.23626747 5.02043175 4.17606820 1
O O21 1 10.87411703 1.67347725 1.53203320 1
O O22 1 5.17065553 1.67347725 1.11200180 1
O O23 1 0.53280597 5.02043175 3.75603680 1
O O24 1 10.29963017 5.02043175 1.23433072 1
O O25 1 6.81075433 1.67347725 3.87836572 1
O O26 1 1.10729283 1.67347725 4.05373928 1
O O27 1 4.59616867 5.02043175 1.40970428 1
[/CIF]
| Cd8Ge4O16 | Pnma | 62 | orthorhombic | mmm | 5,945.978616 | false |
[CIF]
data_PrTh2Ta
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.42082181
_cell_length_b 5.42082181
_cell_length_c 5.42082181
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PrTh2Ta
_chemical_formula_sum 'Pr1 Th2 Ta1'
_cell_volume 112.63682427
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pr Pr0 1 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 3.83309986 3.83309986 3.83309986 1
Th Th2 1 5.74964979 5.74964979 5.74964979 1
Th Th3 1 1.91654993 1.91654993 1.91654993 1
[/CIF]
| PrTaTh2 | Fm-3m | 225 | cubic | m-3m | 11,586.532352 | false |
[CIF]
data_TlGe2Rh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.12207985
_cell_length_b 9.12207985
_cell_length_c 9.12207985
_cell_angle_alpha 20.46127621
_cell_angle_beta 20.46127621
_cell_angle_gamma 20.46127621
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlGe2Rh
_chemical_formula_sum 'Tl1 Ge2 Rh1'
_cell_volume 81.18595445
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ge Ge0 1 -0.00000000 -0.00000000 7.17218383 1
Ge Ge1 1 -0.00000000 0.00000000 19.61234904 1
Rh Rh2 1 -0.00000000 -0.00000000 -0.00000000 1
Tl Tl3 1 0.00000000 -0.00000000 13.39226643 1
[/CIF]
| Ge2RhTl | R-3m | 166 | trigonal | -3m | 9,256.627919 | false |
[CIF]
data_K4BeGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.94130912
_cell_length_b 6.94130912
_cell_length_c 6.94130912
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural K4BeGe
_chemical_formula_sum 'K4 Be1 Ge1'
_cell_volume 236.48802739
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Ge Ge1 1 2.45412337 2.45412337 2.45412337 1
K K2 1 3.68630760 3.68630760 6.13018590 1
K K3 1 3.68630760 6.13018590 3.68630760 1
K K4 1 6.13018590 3.68630760 3.68630760 1
K K5 1 6.13018590 6.13018590 6.13018590 1
[/CIF]
| BeGeK4 | F-43m | 216 | cubic | -43m | 1,671.474285 | false |
[CIF]
data_AlZn2Pb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.91218987
_cell_length_b 4.91218987
_cell_length_c 4.91218987
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlZn2Pb
_chemical_formula_sum 'Al1 Zn2 Pb1'
_cell_volume 83.81281715
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Pb Pb1 1 3.47344277 3.47344277 3.47344277 1
Zn Zn2 1 1.73672139 1.73672138 1.73672139 1
Zn Zn3 1 5.21016416 5.21016416 5.21016416 1
[/CIF]
| AlPbZn2 | Fm-3m | 225 | cubic | m-3m | 7,230.3939 | false |
[CIF]
data_LaTa2B
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.22812236
_cell_length_b 5.22812236
_cell_length_c 2.89581231
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 110.99999366
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaTa2B
_chemical_formula_sum 'La1 Ta2 B1'
_cell_volume 73.89476165
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
La La1 1 2.96124135 0.00000000 0.00000000 1
Ta Ta2 1 1.48062068 -2.15431619 1.44790616 1
Ta Ta3 1 1.48062068 2.15431619 1.44790616 1
[/CIF]
| BLaTa2 | Cmmm | 65 | orthorhombic | mmm | 11,496.783748 | false |
[CIF]
data_NaYTaGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.01541928
_cell_length_b 5.01541928
_cell_length_c 5.01541928
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaYTaGa
_chemical_formula_sum 'Na1 Y1 Ta1 Ga1'
_cell_volume 89.20860256
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 1.77321849 1.77321849 1.77321849 1
Na Na1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 3.54643698 3.54643698 3.54643698 1
Y Y3 1 5.31965547 5.31965547 5.31965547 1
[/CIF]
| GaNaTaY | F-43m | 216 | cubic | -43m | 6,748.854023 | false |
[CIF]
data_LaNb2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95061408
_cell_length_b 2.95061408
_cell_length_c 9.61433244
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LaNb2Au
_chemical_formula_sum 'La1 Nb2 Au1'
_cell_volume 83.70356510
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 0.00000000 0.00000000 4.80716622 1
La La1 1 0.00000000 0.00000000 0.00000000 1
Nb Nb2 1 1.47530704 1.47530704 2.73068500 1
Nb Nb3 1 1.47530704 1.47530704 6.88364744 1
[/CIF]
| AuLaNb2 | P4/mmm | 123 | tetragonal | 4/mmm | 10,349.355946 | false |
[CIF]
data_TlZn2W
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26397317
_cell_length_b 5.26397317
_cell_length_c 4.83862576
_cell_angle_alpha 105.89097011
_cell_angle_beta 105.89097011
_cell_angle_gamma 32.82592470
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlZn2W
_chemical_formula_sum 'Tl1 Zn2 W1'
_cell_volume 69.65702216
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tl Tl0 1 4.37237751 -0.00000000 2.31611202 1
W W1 1 1.60740773 -0.00000000 3.57094986 1
Zn Zn2 1 8.71506995 -0.00000000 4.59088013 1
Zn Zn3 1 7.09964352 -0.00000000 1.11536657 1
[/CIF]
| TlWZn2 | Cm | 8 | monoclinic | m | 12,371.933481 | false |
[CIF]
data_MgNbZnPd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.53598849
_cell_length_b 4.53598849
_cell_length_c 4.53598849
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgNbZnPd
_chemical_formula_sum 'Mg1 Nb1 Zn1 Pd1'
_cell_volume 65.99345008
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg Mg0 1 0.00000000 0.00000000 0.00000000 1
Nb Nb1 1 3.20742822 3.20742822 3.20742822 1
Pd Pd2 1 1.60371411 1.60371411 1.60371411 1
Zn Zn3 1 4.81114233 4.81114233 4.81114233 1
[/CIF]
| MgNbPdZn | F-43m | 216 | cubic | -43m | 7,272.156352 | false |
[CIF]
data_Zr5Ru3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75032584
_cell_length_b 5.75032584
_cell_length_c 4.74811910
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.69534183
_symmetry_Int_Tables_number 1
_chemical_formula_structural Zr5Ru3
_chemical_formula_sum 'Zr5 Ru3'
_cell_volume 148.71845480
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ru Ru0 1 3.35166565 -0.00000000 0.00000000 1
Ru Ru1 1 3.35166565 -2.37616149 2.37405955 1
Ru Ru2 1 3.35166565 2.37616149 2.37405955 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
Zr Zr4 1 1.67583283 -2.33626757 0.00000000 1
Zr Zr5 1 1.67583283 2.33626757 0.00000000 1
Zr Zr6 1 4.93791381 0.00000000 2.37405955 1
Zr Zr7 1 1.76541749 -0.00000000 2.37405955 1
[/CIF]
| Ru3Zr5 | Cmmm | 65 | orthorhombic | mmm | 8,478.417363 | false |
[CIF]
data_TlRh2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66509166
_cell_length_b 4.66509166
_cell_length_c 4.66509166
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TlRh2Se
_chemical_formula_sum 'Tl1 Rh2 Se1'
_cell_volume 71.79026339
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rh Rh0 1 3.29871795 3.29871795 3.29871795 1
Rh Rh1 1 1.64935897 1.64935897 1.64935897 1
Se Se2 1 -0.00000000 -0.00000000 0.00000000 1
Tl Tl3 1 4.94807692 4.94807692 4.94807692 1
[/CIF]
| Rh2SeTl | F-43m | 216 | cubic | -43m | 11,314.345238 | false |
[CIF]
data_KTiRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.35108713
_cell_length_b 4.26847697
_cell_length_c 4.93549697
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KTiRh2
_chemical_formula_sum 'K1 Ti1 Rh2'
_cell_volume 70.59753739
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
K K0 1 0.00000000 0.00000000 0.00000000 1
Rh Rh1 1 0.00000000 2.13423849 2.46774848 1
Rh Rh2 1 1.67554356 2.13423849 0.00000000 1
Ti Ti3 1 1.67554356 0.00000000 2.46774848 1
[/CIF]
| KRh2Ti | Pmmm | 47 | orthorhombic | mmm | 6,886.451028 | false |
[CIF]
data_ZrVZnRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50793025
_cell_length_b 4.50793025
_cell_length_c 4.50793025
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrVZnRu
_chemical_formula_sum 'Zr1 V1 Zn1 Ru1'
_cell_volume 64.77636385
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ru Ru0 1 1.59379402 1.59379402 1.59379402 1
V V1 1 0.00000000 0.00000000 0.00000000 1
Zn Zn2 1 4.78138207 4.78138207 4.78138207 1
Zr Zr3 1 3.18758805 3.18758805 3.18758805 1
[/CIF]
| RuVZnZr | F-43m | 216 | cubic | -43m | 7,911.343951 | false |
[CIF]
data_TiMnRhAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46439005
_cell_length_b 4.46439005
_cell_length_c 4.46439005
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiMnRhAu
_chemical_formula_sum 'Ti1 Mn1 Rh1 Au1'
_cell_volume 62.91749127
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 4.73520072 4.73520072 4.73520072 1
Mn Mn1 1 3.15680048 3.15680048 3.15680048 1
Rh Rh2 1 1.57840024 1.57840024 1.57840024 1
Ti Ti3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| AuMnRhTi | F-43m | 216 | cubic | -43m | 10,627.586472 | false |
[CIF]
data_BaHgPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.82549737
_cell_length_b 4.82549737
_cell_length_c 4.39245505
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaHgPt
_chemical_formula_sum 'Ba1 Hg1 Pt1'
_cell_volume 88.57723611
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 0.00000000 0.00000000 4.37584806 1
Hg Hg1 1 2.41274869 1.39300110 2.17061161 1
Pt Pt2 1 -0.00000000 2.78600221 2.23845044 1
[/CIF]
| BaHgPt | P3m1 | 156 | trigonal | 3m | 9,992.059148 | false |
[CIF]
data_Mn3Zn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.54682541
_cell_length_b 8.34984632
_cell_length_c 5.12402409
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn3Zn
_chemical_formula_sum 'Mn12 Zn4'
_cell_volume 194.53507805
_cell_formula_units_Z 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 4.25922784 2.08746158 4.49468238 1
Mn Mn1 1 1.14522733 8.28910186 1.88213952 1
Mn Mn2 1 1.14522733 4.23566762 1.88213952 1
Mn Mn3 1 1.12818537 4.11417870 4.44415156 1
Mn Mn4 1 1.12818537 0.06074446 4.44415156 1
Mn Mn5 1 2.56101028 6.26238474 1.93267034 1
Mn Mn6 1 1.98581513 2.08746158 3.19135375 1
Mn Mn7 1 3.41864004 8.28910186 0.67987253 1
Mn Mn8 1 3.41864004 4.23566762 0.67987253 1
Mn Mn9 1 3.40159808 4.11417870 3.24188457 1
Mn Mn10 1 3.40159808 0.06074446 3.24188457 1
Mn Mn11 1 0.28759757 6.26238474 0.62934171 1
Zn Zn12 1 0.29377044 6.26238474 3.20336734 1
Zn Zn13 1 1.97964227 2.08746158 0.64135529 1
Zn Zn14 1 2.56718314 6.26238474 4.48266880 1
Zn Zn15 1 4.25305497 2.08746158 1.92065675 1
[/CIF]
| Mn12Zn4 | Pnma | 62 | orthorhombic | mmm | 7,859.690044 | false |
[CIF]
data_ZrCdRu2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.87967588
_cell_length_b 2.87967588
_cell_length_c 8.38275483
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrCdRu2
_chemical_formula_sum 'Zr1 Cd1 Ru2'
_cell_volume 69.51427252
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cd Cd0 1 1.43983794 1.43983794 6.49224159 1
Ru Ru1 1 0.00000000 0.00000000 0.24704901 1
Ru Ru2 1 1.43983794 1.43983794 1.84166341 1
Zr Zr3 1 0.00000000 0.00000000 3.99317816 1
[/CIF]
| CdRu2Zr | P4mm | 99 | tetragonal | 4mm | 9,693.048857 | false |
[CIF]
data_NbOF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.40748029
_cell_length_b 5.40748029
_cell_length_c 5.40748029
_cell_angle_alpha 143.24403676
_cell_angle_beta 137.85050403
_cell_angle_gamma 57.14001448
_symmetry_Int_Tables_number 1
_chemical_formula_structural NbOF2
_chemical_formula_sum 'Nb1 O1 F2'
_cell_volume 62.97374389
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 0.00000000 1.94445200 -0.00000000 1
O O1 1 0.00000000 0.00000000 0.00000000 1
F F2 1 0.00000000 -0.00000000 6.01751491 1
F F3 1 0.00000000 0.00000000 3.48054509 1
[/CIF]
| F2NbO | Immm | 71 | orthorhombic | mmm | 3,873.637943 | false |
[CIF]
data_SnPW2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51547089
_cell_length_b 4.51547089
_cell_length_c 4.51547089
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnPW2
_chemical_formula_sum 'Sn1 P1 W2'
_cell_volume 65.10197202
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
P P0 1 0.00000000 0.00000000 0.00000000 1
Sn Sn1 1 3.19292009 3.19292009 3.19292009 1
W W2 1 1.59646004 1.59646004 1.59646005 1
W W3 1 4.78938014 4.78938014 4.78938014 1
[/CIF]
| PSnW2 | Fm-3m | 225 | cubic | m-3m | 13,196.262905 | false |
[CIF]
data_Hf2BTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78433376
_cell_length_b 4.78433376
_cell_length_c 3.42798753
_cell_angle_alpha 98.60894499
_cell_angle_beta 98.60894499
_cell_angle_gamma 99.92498433
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2BTe
_chemical_formula_sum 'Hf2 B1 Te1'
_cell_volume 75.17014847
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
Hf Hf1 1 1.14001786 -1.83149915 1.66694449 1
Hf Hf2 1 1.14001786 1.83149915 1.66694449 1
Te Te3 1 3.07770905 0.00000000 0.00000000 1
[/CIF]
| BHf2Te | C2/m | 12 | monoclinic | 2/m | 10,943.388107 | false |
[CIF]
data_TaTlRe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51049828
_cell_length_b 4.51049828
_cell_length_c 3.39441950
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaTlRe2
_chemical_formula_sum 'Ta1 Tl1 Re2'
_cell_volume 69.05808908
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Re Re0 1 2.25524914 0.00000000 1.69720975 1
Re Re1 1 0.00000000 2.25524914 1.69720975 1
Ta Ta2 1 0.00000000 0.00000000 0.00000000 1
Tl Tl3 1 2.25524914 2.25524914 0.00000000 1
[/CIF]
| Re2TaTl | P4/mmm | 123 | tetragonal | 4/mmm | 18,220.39229 | false |
[CIF]
data_LiMnCr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.86862091
_cell_length_b 2.86862091
_cell_length_c 5.54101319
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiMnCr2
_chemical_formula_sum 'Li1 Mn1 Cr2'
_cell_volume 45.59691955
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 1.43431046 1.43431046 4.07177636 1
Cr Cr1 1 1.43431046 1.43431046 1.46923683 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Mn Mn3 1 0.00000000 0.00000000 2.77050660 1
[/CIF]
| Cr2LiMn | P4/mmm | 123 | tetragonal | 4/mmm | 6,040.664261 | false |
[CIF]
data_CrTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.01674198
_cell_length_b 8.01674198
_cell_length_c 3.22433279
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 156.86062356
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrTe
_chemical_formula_sum 'Cr2 Te2'
_cell_volume 81.43182174
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 1.60783503 -4.59183695 2.41824959 1
Cr Cr1 1 1.60783503 4.59183695 0.80608320 1
Te Te2 1 1.60783503 -1.79984960 2.41824959 1
Te Te3 1 1.60783503 1.79984960 0.80608320 1
[/CIF]
| Cr2Te2 | Cmcm | 63 | orthorhombic | mmm | 7,324.565111 | false |
[CIF]
data_CaZrMn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.40122812
_cell_length_b 6.40122812
_cell_length_c 6.40122812
_cell_angle_alpha 149.78188933
_cell_angle_beta 149.78188933
_cell_angle_gamma 43.26165990
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaZrMn
_chemical_formula_sum 'Ca1 Zr1 Mn1'
_cell_volume 66.26359069
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 -0.00000000 0.24006299 1
Mn Mn1 1 0.00000000 -0.00000000 8.22100041 1
Zr Zr2 1 -0.00000000 0.00000000 3.43982172 1
[/CIF]
| CaMnZr | I4mm | 107 | tetragonal | 4mm | 4,667.120482 | false |
[CIF]
data_BeOsPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.86729016
_cell_length_b 3.86729016
_cell_length_c 3.86729016
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeOsPt
_chemical_formula_sum 'Be1 Os1 Pt1'
_cell_volume 40.89830204
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Os Os1 1 1.36729355 1.36729355 1.36729355 1
Pt Pt2 1 4.10188065 4.10188065 4.10188065 1
[/CIF]
| BeOsPt | F-43m | 216 | cubic | -43m | 16,010.298657 | false |
[CIF]
data_ReRhAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.79305094
_cell_length_b 2.79305094
_cell_length_c 6.99138392
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReRhAu
_chemical_formula_sum 'Re1 Rh1 Au1'
_cell_volume 47.23364884
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.39652548 0.80628435 0.00244468 1
Re Re1 1 0.00000001 1.61256870 2.46167446 1
Rh Rh2 1 0.00000000 0.00000000 4.52726478 1
[/CIF]
| AuReRh | P3m1 | 156 | trigonal | 3m | 17,088.522772 | false |
[CIF]
data_HfV2Ga
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.18384327
_cell_length_b 3.18384327
_cell_length_c 6.31212727
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural HfV2Ga
_chemical_formula_sum 'Hf1 V2 Ga1'
_cell_volume 63.98513761
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 0.00000000 2.94838928 1
Hf Hf1 1 1.59192163 1.59192163 4.81310839 1
V V2 1 0.00000000 0.00000000 0.22131499 1
V V3 1 1.59192163 1.59192163 1.48537825 1
[/CIF]
| GaHfV2 | P4mm | 99 | tetragonal | 4mm | 9,085.673748 | false |
[CIF]
data_SrBe2Re
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51491043
_cell_length_b 4.51491043
_cell_length_c 4.51491043
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SrBe2Re
_chemical_formula_sum 'Sr1 Be2 Re1'
_cell_volume 65.07773344
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 1.59626189 1.59626189 1.59626189 1
Be Be1 1 4.78878567 4.78878567 4.78878567 1
Re Re2 1 3.19252378 3.19252378 3.19252378 1
Sr Sr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Be2ReSr | Fm-3m | 225 | cubic | m-3m | 7,446.983533 | false |
[CIF]
data_Be2NbTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.60755956
_cell_length_b 3.58811380
_cell_length_c 4.78546649
_cell_angle_alpha 90.00000000
_cell_angle_beta 111.34218808
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be2NbTl
_chemical_formula_sum 'Be2 Nb1 Tl1'
_cell_volume 57.69672888
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.62929145 0.00000000 0.02048462 1
Be Be1 1 -1.04313649 1.79405690 3.24460360 1
Nb Nb2 1 0.74778943 0.00000000 2.65786210 1
Tl Tl3 1 2.46498139 1.79405690 0.76299364 1
[/CIF]
| Be2NbTl | Pm | 6 | monoclinic | m | 9,074.886887 | false |
[CIF]
data_Y2CuAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.05859935
_cell_length_b 5.05859935
_cell_length_c 5.05859935
_cell_angle_alpha 124.87740142
_cell_angle_beta 121.98059651
_cell_angle_gamma 84.17707352
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2CuAs
_chemical_formula_sum 'Y2 Cu1 As1'
_cell_volume 86.22237359
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 -0.00000000 0.00000000 3.75403696 1
Cu Cu1 1 0.00000000 0.00000000 0.00000000 1
Y Y2 1 -0.00000000 2.45320676 1.87819372 1
Y Y3 1 2.34060046 0.00000000 1.87584324 1
[/CIF]
| AsCuY2 | Immm | 71 | orthorhombic | mmm | 6,091.158382 | false |
[CIF]
data_KGa2Hg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.33494503
_cell_length_b 5.33494503
_cell_length_c 5.33494503
_cell_angle_alpha 122.71194895
_cell_angle_beta 122.71194895
_cell_angle_gamma 85.36363176
_symmetry_Int_Tables_number 1
_chemical_formula_structural KGa2Hg
_chemical_formula_sum 'K1 Ga2 Hg1'
_cell_volume 102.60037539
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 2.55739313 0.00000000 1.96093851 1
Ga Ga1 1 0.00000000 -0.00000000 3.92187701 1
Hg Hg2 1 0.00000000 2.55739313 1.96093851 1
K K3 1 -0.00000000 0.00000000 -0.00000000 1
[/CIF]
| Ga2HgK | I-4m2 | 119 | tetragonal | -42m | 6,136.11124 | false |
[CIF]
data_Hf2SeBr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37093549
_cell_length_b 3.37093549
_cell_length_c 8.94394501
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 121.14188738
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2SeBr
_chemical_formula_sum 'Hf2 Se1 Br1'
_cell_volume 86.98564062
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Br Br0 1 0.00000000 0.00000000 4.47197250 1
Hf Hf1 1 1.65629401 0.00000000 6.85106814 1
Hf Hf2 1 1.65629401 0.00000000 2.09287687 1
Se Se3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BrHf2Se | Cmmm | 65 | orthorhombic | mmm | 9,847.362256 | false |
[CIF]
data_NiTe2Mo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64381620
_cell_length_b 5.64381620
_cell_length_c 5.64381620
_cell_angle_alpha 139.08176170
_cell_angle_beta 139.08176170
_cell_angle_gamma 59.25020377
_symmetry_Int_Tables_number 1
_chemical_formula_structural NiTe2Mo
_chemical_formula_sum 'Ni1 Te2 Mo1'
_cell_volume 76.37103840
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 -0.00000000 1.97273371 2.45302389 1
Ni Ni1 1 0.00000000 0.00000000 0.00000000 1
Te Te2 1 1.97273371 -0.00000000 2.45302389 1
Te Te3 1 0.00000000 -0.00000000 4.90604777 1
[/CIF]
| MoNiTe2 | I-4m2 | 119 | tetragonal | -42m | 8,911.461682 | false |
[CIF]
data_CaCr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21527595
_cell_length_b 3.21527595
_cell_length_c 7.42872150
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaCr2
_chemical_formula_sum 'Ca1 Cr2'
_cell_volume 66.50912152
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
Cr Cr1 1 1.60763797 0.92817022 4.84260503 1
Cr Cr2 1 0.00000000 1.85634043 2.58611647 1
[/CIF]
| CaCr2 | P-3m1 | 164 | trigonal | -3m | 3,597.013315 | false |
[CIF]
data_NaCaZnGa
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.12187474
_cell_length_b 5.12187474
_cell_length_c 5.12187474
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCaZnGa
_chemical_formula_sum 'Na1 Ca1 Zn1 Ga1'
_cell_volume 95.01055640
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 3.62171236 3.62171236 3.62171236 1
Ga Ga1 1 1.81085618 1.81085618 1.81085618 1
Na Na2 1 0.00000000 0.00000000 0.00000000 1
Zn Zn3 1 5.43256854 5.43256854 5.43256854 1
[/CIF]
| CaGaNaZn | F-43m | 216 | cubic | -43m | 3,463.513074 | false |
[CIF]
data_ScGaSb2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.16235768
_cell_length_b 5.16235768
_cell_length_c 5.16235768
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScGaSb2
_chemical_formula_sum 'Sc1 Ga1 Sb2'
_cell_volume 97.28128013
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 1.82516906 1.82516906 1.82516906 1
Sb Sb1 1 5.47550718 5.47550718 5.47550718 1
Sb Sb2 1 3.65033812 3.65033812 3.65033812 1
Sc Sc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| GaSb2Sc | F-43m | 216 | cubic | -43m | 6,114.262541 | false |
[CIF]
data_Y2MnMo
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.16307463
_cell_length_b 3.16307463
_cell_length_c 8.56620958
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Y2MnMo
_chemical_formula_sum 'Y2 Mn1 Mo1'
_cell_volume 85.70527905
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mn Mn0 1 0.00000000 0.00000000 4.72364251 1
Mo Mo1 1 1.58153732 1.58153732 5.90470822 1
Y Y2 1 0.00000000 0.00000000 8.06991655 1
Y Y3 1 1.58153732 1.58153732 2.71725659 1
[/CIF]
| MnMoY2 | P4mm | 99 | tetragonal | 4mm | 6,368.748567 | false |
[CIF]
data_SnAs2Br
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.02286527
_cell_length_b 5.02286527
_cell_length_c 5.02286527
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SnAs2Br
_chemical_formula_sum 'Sn1 As2 Br1'
_cell_volume 89.60651525
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 1.77585105 1.77585105 1.77585105 1
As As1 1 5.32755314 5.32755314 5.32755314 1
Br Br2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 3.55170209 3.55170209 3.55170209 1
[/CIF]
| As2BrSn | Fm-3m | 225 | cubic | m-3m | 6,457.418771 | false |
[CIF]
data_Ta2MoRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52830617
_cell_length_b 4.52830617
_cell_length_c 4.52830617
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ta2MoRu
_chemical_formula_sum 'Ta2 Mo1 Ru1'
_cell_volume 65.65871075
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ta Ta0 1 4.80299400 4.80299400 4.80299400 1
Ta Ta1 1 1.60099800 1.60099800 1.60099800 1
Mo Mo2 1 -0.00000000 -0.00000000 0.00000000 1
Ru Ru3 1 3.20199600 3.20199600 3.20199600 1
[/CIF]
| MoRuTa2 | Fm-3m | 225 | cubic | m-3m | 14,135.490161 | false |
[CIF]
data_KCrReAg
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66331640
_cell_length_b 4.66331640
_cell_length_c 4.66331640
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural KCrReAg
_chemical_formula_sum 'K1 Cr1 Re1 Ag1'
_cell_volume 71.70833699
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag Ag0 1 3.29746265 3.29746265 3.29746265 1
Cr Cr1 1 1.64873132 1.64873133 1.64873133 1
K K2 1 0.00000000 0.00000000 0.00000000 1
Re Re3 1 4.94619398 4.94619398 4.94619398 1
[/CIF]
| AgCrKRe | F-43m | 216 | cubic | -43m | 8,919.313916 | false |
[CIF]
data_Ti2InOs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.17167641
_cell_length_b 3.17167641
_cell_length_c 6.82693597
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2InOs
_chemical_formula_sum 'Ti2 In1 Os1'
_cell_volume 68.67577573
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 0.00000000 3.51218138 1
Os Os1 1 1.58583820 1.58583820 5.32357510 1
Ti Ti2 1 0.00000000 0.00000000 6.68138228 1
Ti Ti3 1 1.58583820 1.58583820 1.55020116 1
[/CIF]
| InOsTi2 | P4mm | 99 | tetragonal | 4mm | 9,690.668378 | false |
[CIF]
data_NaInAs2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.44547139
_cell_length_b 5.44547139
_cell_length_c 5.44547139
_cell_angle_alpha 132.63697439
_cell_angle_beta 130.89483712
_cell_angle_gamma 70.60835702
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaInAs2
_chemical_formula_sum 'Na1 In1 As2'
_cell_volume 87.97476381
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 -0.00000000 2.26274669 2.20847028 1
As As1 1 2.18718614 -0.00000000 2.23555412 1
In In2 1 0.00000000 0.00000000 4.44402440 1
Na Na3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| As2InNa | Immm | 71 | orthorhombic | mmm | 5,429.462398 | false |
[CIF]
data_TaAlTlCu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67314538
_cell_length_b 4.67314538
_cell_length_c 4.67314538
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaAlTlCu
_chemical_formula_sum 'Ta1 Al1 Tl1 Cu1'
_cell_volume 72.16271743
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 0.00000000 0.00000000 0.00000000 1
Cu Cu1 1 1.65220640 1.65220640 1.65220640 1
Ta Ta2 1 3.30441279 3.30441279 3.30441279 1
Tl Tl3 1 4.95661919 4.95661919 4.95661919 1
[/CIF]
| AlCuTaTl | F-43m | 216 | cubic | -43m | 10,950.003278 | false |
[CIF]
data_Tc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.75886868
_cell_length_b 2.75886868
_cell_length_c 4.41515445
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Tc
_chemical_formula_sum Tc2
_cell_volume 29.10305565
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Tc Tc0 1 0.00000000 1.59283357 1.10378861 1
Tc Tc1 1 1.37943434 0.79641679 3.31136584 1
[/CIF]
| Tc2 | P6_3/mmc | 194 | hexagonal | 6/mmm | 11,286.623031 | false |
[CIF]
data_ReRuSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.22207406
_cell_length_b 4.22207406
_cell_length_c 4.22207406
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ReRuSe
_chemical_formula_sum 'Re1 Ru1 Se1'
_cell_volume 53.21848952
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Re Re0 1 2.98545720 2.98545720 2.98545720 1
Ru Ru1 1 4.47818580 4.47818580 4.47818580 1
Se Se2 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| ReRuSe | F-43m | 216 | cubic | -43m | 11,427.435306 | false |
[CIF]
data_BaPPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51684569
_cell_length_b 5.51684569
_cell_length_c 5.51684569
_cell_angle_alpha 133.95698339
_cell_angle_beta 133.95698339
_cell_angle_gamma 67.15520399
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaPPt2
_chemical_formula_sum 'Ba1 P1 Pt2'
_cell_volume 85.58013363
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 0.00000000 -0.00000000 4.59629107 1
P P1 1 0.00000000 0.00000000 0.00000000 1
Pt Pt2 1 2.15750953 0.00000000 2.29814554 1
Pt Pt3 1 -0.00000000 2.15750953 2.29814554 1
[/CIF]
| BaPPt2 | I4/mmm | 139 | tetragonal | 4/mmm | 10,836.15037 | false |
[CIF]
data_AsPtSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.44935610
_cell_length_b 4.44935610
_cell_length_c 4.44935610
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AsPtSe
_chemical_formula_sum 'As1 Pt1 Se1'
_cell_volume 62.28400036
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
As As0 1 0.00000000 0.00000000 0.00000000 1
Pt Pt1 1 1.57308494 1.57308494 1.57308494 1
Se Se2 1 4.71925481 4.71925481 4.71925481 1
[/CIF]
| AsPtSe | F-43m | 216 | cubic | -43m | 9,303.689685 | false |
[CIF]
data_CaZrIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.39927046
_cell_length_b 5.39927046
_cell_length_c 3.37531133
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaZrIn2
_chemical_formula_sum 'Ca1 Zr1 In2'
_cell_volume 98.39748599
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 0.00000000 0.00000000 1
In In1 1 0.00000000 2.69963523 1.68765567 1
In In2 1 2.69963523 0.00000000 1.68765567 1
Zr Zr3 1 2.69963523 2.69963523 0.00000000 1
[/CIF]
| CaIn2Zr | P4/mmm | 123 | tetragonal | 4/mmm | 6,091.12767 | false |
[CIF]
data_ZrSc2Nb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.51712597
_cell_length_b 10.51712597
_cell_length_c 10.51712597
_cell_angle_alpha 17.10250955
_cell_angle_beta 17.10250955
_cell_angle_gamma 17.10250955
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrSc2Nb
_chemical_formula_sum 'Zr1 Sc2 Nb1'
_cell_volume 87.77514034
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Nb Nb0 1 -0.00000000 -0.00000000 15.54141651 1
Sc Sc1 1 0.00000000 0.00000000 23.43691955 1
Sc Sc2 1 0.00000000 0.00000000 7.64591348 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| NbSc2Zr | R-3m | 166 | trigonal | -3m | 5,184.358395 | false |
[CIF]
data_ZnNiPdAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.34371869
_cell_length_b 4.34371869
_cell_length_c 4.34371869
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnNiPdAu
_chemical_formula_sum 'Zn1 Ni1 Pd1 Au1'
_cell_volume 57.95221984
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 1.53573647 1.53573647 1.53573647 1
Ni Ni1 1 0.00000000 0.00000000 0.00000000 1
Pd Pd2 1 4.60720941 4.60720941 4.60720941 1
Zn Zn3 1 3.07147294 3.07147294 3.07147294 1
[/CIF]
| AuNiPdZn | F-43m | 216 | cubic | -43m | 12,248.2621 | false |
[CIF]
data_FeSbSe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.69700919
_cell_length_b 4.69700919
_cell_length_c 4.69700919
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeSbSe
_chemical_formula_sum 'Fe1 Sb1 Se1'
_cell_volume 73.27388728
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 0.00000000 0.00000000 0.00000000 1
Sb Sb1 1 4.98193058 4.98193058 4.98193058 1
Se Se2 1 3.32128705 3.32128705 3.32128705 1
[/CIF]
| FeSbSe | F-43m | 216 | cubic | -43m | 5,814.297855 | false |
[CIF]
data_CaV4O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.60501430
_cell_length_b 6.60501430
_cell_length_c 6.60501430
_cell_angle_alpha 53.30875952
_cell_angle_beta 53.30875952
_cell_angle_gamma 53.30875952
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaV4O8
_chemical_formula_sum 'Ca1 V4 O8'
_cell_volume 171.83126042
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ca Ca0 1 0.00000000 -0.00000000 -0.00000000 1
V V1 1 0.00000000 -1.71072301 2.82488588 1
V V2 1 -1.48152959 0.85536151 2.82488588 1
V V3 1 1.48152959 0.85536151 2.82488588 1
V V4 1 0.00000000 0.00000000 8.47465765 1
O O5 1 0.00000000 1.75112687 9.54736287 1
O O6 1 1.51652035 0.87556343 7.40195244 1
O O7 1 -0.00000000 -1.75112687 7.40195244 1
O O8 1 -1.51652035 0.87556343 7.40195244 1
O O9 1 0.00000000 -0.00000000 3.83452835 1
O O10 1 -0.00000000 0.00000000 13.11478696 1
O O11 1 1.51652035 -0.87556343 9.54736287 1
O O12 1 -1.51652035 -0.87556343 9.54736287 1
[/CIF]
| CaO8V4 | R-3m | 166 | trigonal | -3m | 3,593.371153 | false |
[CIF]
data_CrNiSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.52140311
_cell_length_b 4.52140311
_cell_length_c 4.52140311
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CrNiSe2
_chemical_formula_sum 'Cr1 Ni1 Se2'
_cell_volume 65.35889309
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr Cr0 1 0.00000000 0.00000000 0.00000000 1
Ni Ni1 1 4.79567220 4.79567220 4.79567220 1
Se Se2 1 3.19711480 3.19711480 3.19711480 1
Se Se3 1 1.59855740 1.59855740 1.59855740 1
[/CIF]
| CrNiSe2 | F-43m | 216 | cubic | -43m | 6,824.420478 | false |
[CIF]
data_LiTaTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.32297195
_cell_length_b 4.32297195
_cell_length_c 4.32297195
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiTaTl
_chemical_formula_sum 'Li1 Ta1 Tl1'
_cell_volume 57.12579468
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Li Li0 1 0.00000000 0.00000000 0.00000000 1
Ta Ta1 1 1.52840139 1.52840139 1.52840139 1
Tl Tl2 1 4.58520417 4.58520417 4.58520417 1
[/CIF]
| LiTaTl | F-43m | 216 | cubic | -43m | 11,402.612135 | false |
[CIF]
data_TiBP3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.66925938
_cell_length_b 4.66925938
_cell_length_c 4.66925938
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiBP3
_chemical_formula_sum 'Ti1 B1 P3'
_cell_volume 101.79911436
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 0.00000000 0.00000000 0.00000000 1
P P1 1 2.33462969 2.33462969 0.00000000 1
P P2 1 2.33462969 0.00000000 2.33462969 1
P P3 1 0.00000000 2.33462969 2.33462969 1
Ti Ti4 1 2.33462969 2.33462969 2.33462969 1
[/CIF]
| BP3Ti | Pm-3m | 221 | cubic | m-3m | 2,472.878843 | false |
[CIF]
data_BaNiCl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.33030756
_cell_length_b 4.18625401
_cell_length_c 5.98642307
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.42347364
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaNiCl2
_chemical_formula_sum 'Ba1 Ni1 Cl2'
_cell_volume 102.95844252
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 2.53748859 2.09312700 1.41440794 1
Cl Cl1 1 0.38178830 0.00000000 0.52935915 1
Cl Cl2 1 0.37105764 2.09312700 3.76325609 1
Ni Ni3 1 0.36722323 0.00000000 2.81237474 1
[/CIF]
| BaCl2Ni | Pm | 6 | monoclinic | m | 4,305.054586 | false |
[CIF]
data_NaLiGa2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.90245920
_cell_length_b 4.53111830
_cell_length_c 5.99356328
_cell_angle_alpha 90.00000000
_cell_angle_beta 95.63542259
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaLiGa2
_chemical_formula_sum 'Na1 Li1 Ga2'
_cell_volume 78.44270002
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 1.09558304 2.26555915 4.64553602 1
Ga Ga1 1 1.21831921 2.26555915 1.31905966 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Na Na3 1 -0.29427848 0.00000000 2.98229784 1
[/CIF]
| Ga2LiNa | P2/m | 10 | monoclinic | 2/m | 3,585.505628 | false |
[CIF]
data_Cu2SnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.41911423
_cell_length_b 4.41911423
_cell_length_c 4.41911423
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu2SnPt
_chemical_formula_sum 'Cu2 Sn1 Pt1'
_cell_volume 61.02259696
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 1.56239282 1.56239282 1.56239282 1
Cu Cu1 1 4.68717846 4.68717846 4.68717846 1
Pt Pt2 1 3.12478564 3.12478564 3.12478564 1
Sn Sn3 1 -0.00000000 -0.00000000 0.00000000 1
[/CIF]
| Cu2PtSn | Fm-3m | 225 | cubic | m-3m | 11,997.333176 | false |
[CIF]
data_Hf2IrPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.67526629
_cell_length_b 4.67526629
_cell_length_c 4.67526629
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Hf2IrPt
_chemical_formula_sum 'Hf2 Ir1 Pt1'
_cell_volume 72.26101532
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Hf Hf0 1 4.95886875 4.95886875 4.95886875 1
Hf Hf1 1 1.65295625 1.65295625 1.65295625 1
Ir Ir2 1 0.00000000 0.00000000 0.00000000 1
Pt Pt3 1 3.30591250 3.30591250 3.30591250 1
[/CIF]
| Hf2IrPt | Fm-3m | 225 | cubic | m-3m | 17,103.381007 | false |
[CIF]
data_ZrScB2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.98359342
_cell_length_b 5.98359342
_cell_length_c 5.98359342
_cell_angle_alpha 33.98953182
_cell_angle_beta 33.98953182
_cell_angle_gamma 33.98953182
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZrScB2
_chemical_formula_sum 'Zr1 Sc1 B2'
_cell_volume 59.67983919
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
B B0 1 -0.00000000 0.00000000 4.12452223 1
B B1 1 -0.00000000 0.00000000 12.77299977 1
Sc Sc2 1 0.00000000 -0.00000000 -0.00000000 1
Zr Zr3 1 -0.00000000 0.00000000 8.44876100 1
[/CIF]
| B2ScZr | R-3m | 166 | trigonal | -3m | 4,390.69949 | false |
[CIF]
data_BaZrCr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.59451138
_cell_length_b 3.84322112
_cell_length_c 6.98696009
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaZrCr2
_chemical_formula_sum 'Ba1 Zr1 Cr2'
_cell_volume 96.52137450
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ba Ba0 1 0.00000000 0.00000000 3.49348005 1
Cr Cr1 1 1.79725569 1.92161056 6.00572162 1
Cr Cr2 1 1.79725569 1.92161056 0.98123847 1
Zr Zr3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| BaCr2Zr | Pmmm | 47 | orthorhombic | mmm | 5,721.022704 | false |
[CIF]
data_LiBe2Sb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35983078
_cell_length_b 4.35983078
_cell_length_c 4.35983078
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural LiBe2Sb
_chemical_formula_sum 'Li1 Be2 Sb1'
_cell_volume 58.59949884
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 3.08286591 3.08286591 3.08286591 1
Be Be1 1 1.54143295 1.54143295 1.54143295 1
Li Li2 1 0.00000000 0.00000000 0.00000000 1
Sb Sb3 1 4.62429887 4.62429887 4.62429887 1
[/CIF]
| Be2LiSb | F-43m | 216 | cubic | -43m | 4,157.769329 | false |
[CIF]
data_AlTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.14034909
_cell_length_b 5.14034909
_cell_length_c 5.14034909
_cell_angle_alpha 145.07870251
_cell_angle_beta 131.34481113
_cell_angle_gamma 61.28009622
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlTc
_chemical_formula_sum 'Al2 Tc2'
_cell_volume 57.77949833
_cell_formula_units_Z 2
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al Al0 1 1.54236538 1.05879177 1.00749972 1
Al Al1 1 -0.00000000 1.05879177 3.41518473 1
Tc Tc2 1 0.00000000 3.17637531 1.15582524 1
Tc Tc3 1 1.54236538 -1.05879177 3.26685921 1
[/CIF]
| Al2Tc2 | Imma | 74 | orthorhombic | mmm | 7,235.836724 | false |
[CIF]
data_TaNbMo2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.31621102
_cell_length_b 5.31621102
_cell_length_c 2.82715126
_cell_angle_alpha 100.53488015
_cell_angle_beta 100.53488015
_cell_angle_gamma 115.80393002
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaNbMo2
_chemical_formula_sum 'Ta1 Nb1 Mo2'
_cell_volume 67.54189255
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mo Mo0 1 0.92605198 -2.25178789 1.32726274 1
Mo Mo1 1 0.92605198 2.25178789 1.32726274 1
Nb Nb2 1 0.00000000 0.00000000 0.00000000 1
Ta Ta3 1 2.82487253 -0.00000000 0.00000000 1
[/CIF]
| Mo2NbTa | C2/m | 12 | monoclinic | 2/m | 11,451.209401 | false |
[CIF]
data_Ti2FeSb
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.49354510
_cell_length_b 4.49354510
_cell_length_c 4.49354510
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2FeSb
_chemical_formula_sum 'Ti2 Fe1 Sb1'
_cell_volume 64.15822156
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Fe Fe0 1 -0.00000000 -0.00000000 0.00000000 1
Sb Sb1 1 3.17741621 3.17741621 3.17741621 1
Ti Ti2 1 1.58870811 1.58870811 1.58870811 1
Ti Ti3 1 4.76612432 4.76612432 4.76612432 1
[/CIF]
| FeSbTi2 | Fm-3m | 225 | cubic | m-3m | 7,074.542855 | false |
[CIF]
data_Sr2InTc
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76819273
_cell_length_b 5.76819273
_cell_length_c 5.76819273
_cell_angle_alpha 127.88069892
_cell_angle_beta 127.88069892
_cell_angle_gamma 76.81837090
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2InTc
_chemical_formula_sum 'Sr2 In1 Tc1'
_cell_volume 116.09295023
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
In In0 1 0.00000000 0.00000000 4.51992045 1
Sr Sr1 1 0.00000000 2.53400538 2.25996022 1
Sr Sr2 1 2.53400538 0.00000000 2.25996022 1
Tc Tc3 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| InSr2Tc | I4/mmm | 139 | tetragonal | 4/mmm | 5,563.59827 | false |
[CIF]
data_BeTc2Bi
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.45521533
_cell_length_b 4.45521533
_cell_length_c 4.45521533
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BeTc2Bi
_chemical_formula_sum 'Be1 Tc2 Bi1'
_cell_volume 62.53038452
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Be Be0 1 0.00000000 0.00000000 0.00000000 1
Bi Bi1 1 3.15031297 3.15031297 3.15031297 1
Tc Tc2 1 4.72546946 4.72546946 4.72546946 1
Tc Tc3 1 1.57515649 1.57515649 1.57515649 1
[/CIF]
| BeBiTc2 | Fm-3m | 225 | cubic | m-3m | 11,041.998574 | false |
[CIF]
data_Cu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.57166958
_cell_length_b 2.57166958
_cell_length_c 2.57166958
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Cu
_chemical_formula_sum Cu1
_cell_volume 12.02625771
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cu Cu0 1 0.00000000 0.00000000 0.00000000 1
[/CIF]
| Cu4 | Fm-3m | 225 | cubic | m-3m | 8,774.185462 | false |
[CIF]
data_TaGaIr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.82671493
_cell_length_b 2.82671493
_cell_length_c 9.06544301
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 118.71029618
_symmetry_Int_Tables_number 1
_chemical_formula_structural TaGaIr2
_chemical_formula_sum 'Ta1 Ga1 Ir2'
_cell_volume 63.53050223
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ga Ga0 1 0.00000000 0.00000000 2.17031964 1
Ir Ir1 1 1.44081917 0.00000000 0.10330145 1
Ir Ir2 1 0.00000000 0.00000000 6.78862681 1
Ta Ta3 1 1.44081917 0.00000000 4.53591662 1
[/CIF]
| GaIr2Ta | Cmm2 | 35 | orthorhombic | mm2 | 16,600.159413 | false |
[CIF]
data_ScTa2Co
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.26300377
_cell_length_b 5.26300377
_cell_length_c 2.83443480
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.19026048
_symmetry_Int_Tables_number 1
_chemical_formula_structural ScTa2Co
_chemical_formula_sum 'Sc1 Ta2 Co1'
_cell_volume 68.54101988
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Co Co0 1 2.66364342 -0.00000000 0.00000000 1
Sc Sc1 1 0.00000000 0.00000000 0.00000000 1
Ta Ta2 1 1.33182171 2.26959316 1.41721740 1
Ta Ta3 1 1.33182171 -2.26959316 1.41721740 1
[/CIF]
| CoScTa2 | Cmmm | 65 | orthorhombic | mmm | 11,284.54128 | false |
[CIF]
data_BaSnRhAu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.20153672
_cell_length_b 5.20153672
_cell_length_c 5.20153672
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural BaSnRhAu
_chemical_formula_sum 'Ba1 Sn1 Rh1 Au1'
_cell_volume 99.51304359
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Au Au0 1 5.51706284 5.51706284 5.51706284 1
Ba Ba1 1 3.67804189 3.67804189 3.67804189 1
Rh Rh2 1 0.00000000 0.00000000 0.00000000 1
Sn Sn3 1 1.83902095 1.83902095 1.83902095 1
[/CIF]
| AuBaRhSn | F-43m | 216 | cubic | -43m | 9,276.258601 | false |
[CIF]
data_Co3PbC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.87604960
_cell_length_b 4.87604960
_cell_length_c 4.87604960
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Co3PbC
_chemical_formula_sum 'Co3 Pb1 C1'
_cell_volume 115.93227119
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Pb Pb0 1 2.43802480 2.43802480 2.43802480 1
C C1 1 0.00000000 0.00000000 0.00000000 1
Co Co2 1 2.43802480 0.00000000 2.43802480 1
Co Co3 1 2.43802480 2.43802480 0.00000000 1
Co Co4 1 0.00000000 2.43802480 2.43802480 1
[/CIF]
| CCo3Pb | Pm-3m | 221 | cubic | m-3m | 5,672.195863 | false |
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