c-bone/mpdb-2prop_clean · Datasets at Hugging Face

Database stringclasses 1 value	Reduced Formula stringlengths 1 25	CIF stringlengths 762 8.74k	Bandgap (eV) stringlengths 3 6	Energy Above Hull (eV) stringlengths 3 5	norm_Bandgap (eV) stringlengths 3 6	norm_Energy Above Hull (eV) stringlengths 3 6
MP	LiY6B3O14	data_[Li4Y24B12O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.4306] _cell_length_b [15.6...	4.691	0.013	0.6572	0.0188
MP	Tm(CuS)3	data_[Tm6Cu18S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.6504] _cell_length_b [6.6504] _cell_length_c [18.8605] _ce...	1.545	0.0	0.3998	0.0
MP	MgTe(BrO)6	data_[Mg4Te4Br24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [10.9623] _cell_length_b [10...	0.663	0.552	0.2458	0.3155
MP	LiCo(SiO3)2	data_[Li4Co4Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [7.4048] _cell_length_b [7.3079...	1.718	0.06	0.4221	0.0626
MP	NbTlO3	data_[Nb1Tl1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.1086] _cell_length_b [4.1086] _cell_length_c [4.1086] _cel...	0.112	0.091	0.0702	0.0864
MP	AlSi3AgO8	data_[Al2Si6Ag2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2796] _cell_length_b [7.561...	3.044	0.024	0.5517	0.0305
MP	Ca2MgP2(H2O5)2	data_[Ca2Mg1P2H4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5...	5.386	0.002	0.6918	0.0042
MP	Bi3O2F5	data_[Bi12O8F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.7346] _cell_length_b [18.1120] _cell_length_c [5.9100] _cel...	3.285	0.006	0.5699	0.0101
MP	K3NbHOF7	data_[K12Nb4H4O4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8...	4.103	0.0	0.624	0.0
MP	Na2MnPCO7	data_[Na8Mn4P4C4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5....	0.69	0.009	0.252	0.014
MP	VPH6C2N3O7	data_[V2P2H12C4N6O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_...	1.775	0.103	0.4291	0.095
MP	Sr2Zn2As3	data_[Sr8Zn8As12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.3886] _cell_length_b [4.3305] _cell_length_c [12.0890] ...	0.146	0.001	0.0857	0.0024
MP	BiClO	data_[Bi2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9139] _cell_length_b [3.9139] _cell_length_c [7.8278] _ce...	2.568	0.0	0.5118	0.0
MP	Li3Fe2(PO4)3	data_[Li24Fe16P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [14.3771] _cell_length_b [13.3...	2.237	0.048	0.4802	0.0526
MP	LiVP2HO8	data_[Li4V4P8H4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.47...	1.455	0.05	0.3874	0.0544
MP	Na2CoSiCO7	data_[Na16Co8Si8C8O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a ...	0.227	0.094	0.1186	0.0886
MP	PrN	data_[Pr1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.5451] _cell_length_b [3.5451] _cell_length_c [3.2223] _cell_angle_alpha [90.0000] _cell_an...	0.008	0.357	0.0088	0.2357
MP	SrSeO3	data_[Sr4Se4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.7634] _cell_length_b [5.5809] _cell_length_c [4.4978] _ce...	3.886	0.0	0.6107	0.0
MP	P10Au7I	data_[P10Au7I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Au 2.5400 1.3500 1.0700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.2790] _cell_length_b [6.2790] _cell_length_c [11.2672] _cel...	0.496	0.0	0.204	0.0
MP	KNb(CuS2)2	data_[K4Nb4Cu8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [7.4303] _cell_length_b [18.374...	1.708	0.0	0.4209	0.0
MP	Cs2Hg(BSe)9	data_[Cs4Hg2B18Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hg 2.0000 1.5000 1.2450 B 2.0400 0.8500 0.4100 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.1127] _cell_length_b [10....	1.871	0.0	0.4405	0.0
MP	Li3Fe2(PO4)3	data_[Li12Fe8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12] _cell_length_a [8.7628] _cell_length_b [...	2.38	0.009	0.4943	0.014
MP	Dy2Si9B36C	data_[Dy4Si18B72C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.5042] _cell_length_b [10.113...	1.172	0.0	0.3445	0.0
MP	Ba(DySe2)2	data_[Ba4Dy8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.8832] _cell_length_b [4.2178] _cell_length_c [15.1862] ...	1.377	0.0	0.3762	0.0
MP	RbNdSe2O11	data_[Rb2Nd2Se4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nd 1.1400 1.8500 1.2765 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7230] _cell_length_b [7.275...	0.958	0.369	0.3071	0.2411
MP	K2Zr2NiH12(OF2)6	data_[K4Zr4Ni2H24O12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zr 1.3300 1.5500 0.8600 Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_...	5.142	0.0	0.6802	0.0
MP	KMn4(PO4)3	data_[K4Mn16P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [10.0293] _cell_length_b [16.88...	3.333	0.003	0.5734	0.0058
MP	LiFeF5	data_[Li4Fe4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.4789] _cell_length_b [6.0714] _cell_length_c [7.7195] _cel...	0.53	0.009	0.213	0.014
MP	Li4Ti3Mn2Cr3O16	data_[Li8Ti6Mn4Cr6O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	0.432	0.115	0.186	0.1033
MP	Mg30VSnO32	data_[Mg30V1Sn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6035] _cell_length_b [8.6...	1.862	0.061	0.4395	0.0635
MP	Rb5TiSb7O22	data_[Rb20Ti4Sb28O88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ti 1.5400 1.4000 0.8517 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [10.4455] _cell_length_b [10....	1.631	0.0	0.4111	0.0
MP	Cs2AlP3O10	data_[Cs8Al4P12O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.4583] _cell_length_b [9....	4.679	0.0	0.6566	0.0
MP	Rb7EuFe6(P4O17)2	data_[Rb7Eu1Fe6P8O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Eu 1.2000 1.8500 1.1985 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...	0.007	0.0	0.0079	0.0
MP	NaCaMgCr(SiO3)4	data_[Na6Ca6Mg6Cr6Si24O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_g...	3.046	0.005	0.5518	0.0088
MP	Cs2K2TeO5	data_[Cs8K8Te4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [9.3616] _cell_length_b [9....	2.025	0.0	0.4579	0.0
MP	Al2SiO5	data_[Al8Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6356] _cell_length_b [7.2039] _cell_length_c [7.9349] _cell...	5.404	0.0	0.6926	0.0
MP	Cd2Si(P2O7)2	data_[Cd8Si4P16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.4902] _cell_length_b [5.26...	4.145	0.0	0.6265	0.0
MP	ScC6(O2F3)3	data_[Sc4C24O24F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [8.3971] _cell_length_b [9.1629...	0.0	0.204	0.0	0.1583
MP	ScTlP2S7	data_[Sc2Tl2P4S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [8.7480] _cell_length_b [10.0653]...	1.97	0.0	0.4518	0.0
MP	KV3Ge2O9	data_[K2V6Ge4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.9865] _cell_length_b [5.98...	1.632	0.0	0.4112	0.0
MP	KMg30CrO32	data_[K1Mg30Cr1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5832] _cell_length_b [8.5...	3.588	0.047	0.5912	0.0518
MP	Mo9O26	data_[Mo72O208] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [29.7495] _cell_length_b [8.2196] _cell_length_c [17.1732] _cell_angle_alpha [90.0000] _cel...	0.498	0.0	0.2045	0.0
MP	BaNd2ZnS5	data_[Ba4Nd8Zn4S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nd 1.1400 1.8500 1.2765 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.9150] _cell_length_b [7....	1.143	0.021	0.3397	0.0275
MP	Ni3OF5	data_[Ni12O4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.0423] _cell_length_b [6.6914] _cell_length_c [7.2789] _cell...	0.607	0.074	0.2325	0.0737
MP	BaMgTe2O7	data_[Ba4Mg4Te8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [5.6564] _cell_length_b [15.4...	1.849	0.002	0.4379	0.0042
MP	Gd3Y13O24	data_[Gd6Y26O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [15.1807] _cell_length_b [10.7343] _cell_length_c [10.7311] _cel...	3.482	0.001	0.5839	0.0024
MP	TcS2	data_[Tc4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tc 1.9000 1.3500 0.7417 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.4080] _cell_length_b [6.5172] _cell_length_c [7.5399] _cell_angle_alpha [66.7892] _cell_angl...	1.188	0.0	0.3471	0.0
MP	ZrZn2Au	data_[Zr2Zn4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.6954] _cell_length_b [11.1796] _cell_length_c [15.8359] ...	0.25	2.249	0.1272	0.6943
MP	La5AlSi2O13	data_[La10Al2Si4O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [9.8127] _cell_length_b [7.251...	4.158	0.003	0.6273	0.0058
MP	Na3Sr7Ta3Ti7O30	data_[Na3Sr7Ta3Ti7O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a...	1.794	0.008	0.4314	0.0128
MP	Zn(FeO2)2	data_[Zn24Fe48O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0405] _cell_length_b [6.0405] _cell_length_c [59.1949] _c...	1.479	0.035	0.3907	0.0411
MP	V2O5	data_[V16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [9.8034] _cell_length_b [19.7925] _cell_length_c [5.8187] _cell_angle_alpha [90.0000] _cell_an...	2.754	0.048	0.5281	0.0526
MP	Mg2Al3WS8	data_[Mg6Al9W3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2350] _cell_length_b [7.2350...	0.443	0.144	0.1892	0.1224
MP	ZnP2(HO)4	data_[Zn2P4H8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [6.5575] _cell_length_b [5.4774] _...	4.126	0.02	0.6254	0.0264
MP	LaAlO3	data_[La6Al6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8191] _cell_length_b [7.9009] _cell_length_c [8.0550] _cell...	4.269	0.083	0.6338	0.0805
MP	Li3Tb(NO3)6	data_[Li12Tb4N24O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.9387] _cell_length_b [7....	3.104	0.0	0.5563	0.0
MP	Rb4B2S4O17	data_[Rb16B8S16O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [8.1959] _cell_length_b [10.812...	5.291	0.0	0.6873	0.0
MP	CsK2AsCl6	data_[Cs4K8As4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4573] _cell_length_b [11...	3.498	0.138	0.585	0.1185
MP	K3NbAs2O9	data_[K12Nb4As8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [22.9485] _cell_length_b [5.53...	3.139	0.0	0.559	0.0
MP	Ca3ScCoO6	data_[Ca18Sc6Co6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.2384] _cell_length_b [9.2...	2.65	0.0	0.5191	0.0
MP	V4SnO12	data_[V8Sn2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.3723] _cell_length_b [9.1775] _cell_length_c [5.9852] _cell_a...	2.543	0.04	0.5095	0.0456
MP	CsNaMg14O15	data_[Cs1Na1Mg14O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [4.1996] _cell_length_b [8.3...	1.147	0.227	0.3404	0.1711
MP	Li3V3SbO8	data_[Li6V6Sb2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.5435] _cell_length_b [6.164...	0.757	0.088	0.2668	0.0842
MP	Fe(SbO2)2	data_[Fe4Sb8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/m] _cell_length_a [8.5722] _cell_length_b [8.5722] _cell_length_c [6.6136] _c...	1.394	0.101	0.3787	0.0936
MP	Li4Mn5O9F	data_[Li4Mn5O9F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1700] _cell_length_b [5.4024] _...	0.996	0.066	0.3141	0.0675
MP	LiSbTe2	data_[Li1Sb1Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.3393] _cell_length_b [4.3393] _cell_length_c [6.0846] _...	0.176	0.072	0.0985	0.0722
MP	Li2Fe2Si3O10	data_[Li4Fe4Si6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4285] _cell_length_b [5.4628...	2.352	0.054	0.4916	0.0577
MP	Li4(FeO2)5	data_[Li4Fe5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1654] _cell_length_b [5.1719] _cell_length_c [7.9070] _cell_...	0.337	0.053	0.157	0.0569
MP	GePb(S2O7)3	data_[Ge2Pb2S12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.2873] _cell_length_b [9.5541...	3.974	0.0	0.6162	0.0
MP	Ta3InO9	data_[Ta12In4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3994] _cell_length_b [7.6401] _cell_length_c [12.7166] _c...	2.019	0.106	0.4572	0.0971
MP	Tm2SiO5	data_[Tm8Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.1575] _cell_length_b [6.6930] _cell_length_c [6.7013] _c...	4.607	0.004	0.6527	0.0073
MP	CsAuBr3	data_[Cs4Au4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.9285] _cell_length_b [7.9285] _cell_length_c [11.7304]...	0.653	0.0	0.2435	0.0
MP	Hf2N2O	data_[Hf8N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8313] _cell_length_b [6.7821] _cell_length_c [5.9189] _cell...	2.116	0.096	0.4677	0.09
MP	LiBiO2	data_[Li8Bi8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [5.3498] _cell_length_b [18.6313] _cell_length_c [4.7615] _ce...	2.037	0.002	0.4592	0.0042
MP	Ba(ErTe2)2	data_[Ba4Er8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.7708] _cell_length_b [4.4632] _cell_length_c [16.2235] ...	1.311	0.0	0.3664	0.0
MP	Mg4SnN4	data_[Mg8Sn2N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5891] _cell_length_b [5.6328] _cell_length_c [8.4324] _cell_...	0.0	0.062	0.0	0.0643
MP	Zr3Ni3Sb4	data_[Zr12Ni12Sb16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.1379] _cell_length_b [9.1379] _cell_length_c [9.1379]...	0.434	0.0	0.1866	0.0
MP	K3ReC4(N2O)2	data_[K3Re1C4N4O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Re 1.9000 1.3500 0.7125 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.47...	2.392	0.105	0.4954	0.0964
MP	GeI2	data_[Ge3I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3074] _cell_length_b [4.3074] _cell_length_c [24.6120] _cell_angle_alpha [90.0000] _cell_a...	2.022	0.0	0.4576	0.0
MP	LiCu2F5	data_[Li4Cu8F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.4265] _cell_length_b [10.0231] _cell_length_c [3.1440] _c...	0.407	0.096	0.1787	0.09
MP	PSN(Cl2O)2	data_[P8S8N8Cl32O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7...	4.108	0.131	0.6243	0.114
MP	Cd3SiO5	data_[Cd6Si2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [6.9260] _cell_length_b [6.9260] _cell_length_c [5.0748] _c...	0.968	0.0	0.309	0.0
MP	Mn4Si7	data_[Mn16Si28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pcca] _cell_length_a [5.5025] _cell_length_b [5.5022] _cell_length_c [17.3661] _cell_angle_alpha [90.0000] _cel...	0.763	0.0	0.2681	0.0
MP	MgMn2O4	data_[Mg8Mn16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [10.4688] _cell_length_b [6.0574] _cell_length_c [10.5483] _ce...	0.442	0.027	0.1889	0.0335
MP	ErMnFeO5	data_[Er4Mn4Fe4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.3031] _cell_length_b [8.57...	1.159	0.008	0.3424	0.0128
MP	NbO2F	data_[Nb1O2F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9094] _cell_length_b [3.9094] _cell_length_c [4.1553] _cell...	0.89	0.106	0.2941	0.0971
MP	Cs2HfF6	data_[Cs2Hf1F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.4824] _cell_length_b [6.4824] _cell_length_c [5.1397] _cel...	7.229	0.0	0.7665	0.0
MP	K2Zn4P4O21	data_[K4Zn8P8O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.2312] _cell_length_b [9.5152] _...	0.015	0.496	0.0146	0.2942
MP	Cs2Np(SO5)2	data_[Cs8Np4S8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Np 1.3600 1.7500 1.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.0459] _cell_length_b [9.1...	0.213	0.0	0.1133	0.0
MP	Cr3Ni(PO4)4	data_[Cr3Ni1P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.7813] _cell_length_b [5.7714] ...	0.01	0.05	0.0106	0.0544
MP	Na3AuO3	data_[Na12Au4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [9.5738] _cell_length_b [9.5738] _cell_length_c [4.5625]...	1.792	0.0	0.4312	0.0
MP	ZrSnS3	data_[Zr4Sn4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.5725] _cell_length_b [3.7539] _cell_length_c [14.1517] _ce...	0.994	0.0	0.3138	0.0
MP	CuBiS2	data_[Cu4Bi4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.2918] _cell_length_b [3.9493] _cell_length_c [14.3944] _cel...	0.464	0.0	0.1952	0.0
MP	Ba5Gd2ZrAl2O13	data_[Ba10Gd4Zr2Al4O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Gd 1.2000 1.8000 1.0750 Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_l...	2.463	0.018	0.5021	0.0243
MP	SiH3I	data_[Si4H12I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.9022] _cell_length_b [8.8785] _cell_length_c [11.0419] _ce...	4.219	0.0	0.6309	0.0
MP	NbSeCl3	data_[Nb4Se4Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [6.6488] _cell_length_b [7.0973] _cell_length_c [12.1381] _...	0.756	0.0	0.2666	0.0
MP	Li3Sb2P5O18	data_[Li6Sb4P10O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5789] _cell_length_b [9.7881]...	1.814	0.036	0.4338	0.042
MP	Li2Si4NiO10	data_[Li8Si16Ni4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6740] _cell_length_b [9...	3.942	0.093	0.6142	0.0879
MP	NaY(IO3)4	data_[Na8Y8I32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [31.7415] _cell_length_b [5.6532] ...	3.315	0.0	0.5721	0.0
MP	Sm3CuSe6	data_[Sm12Cu4Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.2339] _cell_length_b [17.0351] _cell_length_c [7.9546...	0.701	0.003	0.2545	0.0058

MP

LiY6B3O14

data_[Li4Y24B12O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.4306] _cell_length_b [15.6...

4.691

0.013

0.6572

0.0188

MP

Tm(CuS)3

data_[Tm6Cu18S18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.6504] _cell_length_b [6.6504] _cell_length_c [18.8605] _ce...

1.545

0.0

0.3998

0.0

MP

MgTe(BrO)6

data_[Mg4Te4Br24O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Te 2.1000 1.4000 1.2933 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [10.9623] _cell_length_b [10...

0.663

0.552

0.2458

0.3155

MP

LiCo(SiO3)2

data_[Li4Co4Si8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [7.4048] _cell_length_b [7.3079...

1.718

0.06

0.4221

0.0626

MP

NbTlO3

data_[Nb1Tl1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.1086] _cell_length_b [4.1086] _cell_length_c [4.1086] _cel...

0.112

0.091

0.0702

0.0864

MP

AlSi3AgO8

data_[Al2Si6Ag2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2796] _cell_length_b [7.561...

3.044

0.024

0.5517

0.0305

MP

Ca2MgP2(H2O5)2

data_[Ca2Mg1P2H4O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5...

5.386

0.002

0.6918

0.0042

MP

Bi3O2F5

data_[Bi12O8F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.7346] _cell_length_b [18.1120] _cell_length_c [5.9100] _cel...

3.285

0.006

0.5699

0.0101

MP

K3NbHOF7

data_[K12Nb4H4O4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8...

4.103

0.0

0.624

0.0

MP

Na2MnPCO7

data_[Na8Mn4P4C4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5....

0.69

0.009

0.252

0.014

MP

VPH6C2N3O7

data_[V2P2H12C4N6O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_...

1.775

0.103

0.4291

0.095

MP

Sr2Zn2As3

data_[Sr8Zn8As12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.3886] _cell_length_b [4.3305] _cell_length_c [12.0890] ...

0.146

0.001

0.0857

0.0024

MP

BiClO

data_[Bi2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9139] _cell_length_b [3.9139] _cell_length_c [7.8278] _ce...

2.568

0.0

0.5118

0.0

MP

Li3Fe2(PO4)3

data_[Li24Fe16P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [14.3771] _cell_length_b [13.3...

2.237

0.048

0.4802

0.0526

MP

LiVP2HO8

data_[Li4V4P8H4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.47...

1.455

0.05

0.3874

0.0544

MP

Na2CoSiCO7

data_[Na16Co8Si8C8O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a ...

0.227

0.094

0.1186

0.0886

MP

PrN

data_[Pr1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [3.5451] _cell_length_b [3.5451] _cell_length_c [3.2223] _cell_angle_alpha [90.0000] _cell_an...

0.008

0.357

0.0088

0.2357

MP

SrSeO3

data_[Sr4Se4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.7634] _cell_length_b [5.5809] _cell_length_c [4.4978] _ce...

3.886

0.0

0.6107

0.0

MP

P10Au7I

data_[P10Au7I1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Au 2.5400 1.3500 1.0700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.2790] _cell_length_b [6.2790] _cell_length_c [11.2672] _cel...

0.496

0.0

0.204

0.0

MP

KNb(CuS2)2

data_[K4Nb4Cu8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [7.4303] _cell_length_b [18.374...

1.708

0.0

0.4209

0.0

MP

Cs2Hg(BSe)9

data_[Cs4Hg2B18Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hg 2.0000 1.5000 1.2450 B 2.0400 0.8500 0.4100 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.1127] _cell_length_b [10....

1.871

0.0

0.4405

0.0

MP

Li3Fe2(PO4)3

data_[Li12Fe8P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12] _cell_length_a [8.7628] _cell_length_b [...

2.38

0.009

0.4943

0.014

MP

Dy2Si9B36C

data_[Dy4Si18B72C2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [12.5042] _cell_length_b [10.113...

1.172

0.0

0.3445

0.0

MP

Ba(DySe2)2

data_[Ba4Dy8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.8832] _cell_length_b [4.2178] _cell_length_c [15.1862] ...

1.377

0.0

0.3762

0.0

MP

RbNdSe2O11

data_[Rb2Nd2Se4O22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Nd 1.1400 1.8500 1.2765 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7230] _cell_length_b [7.275...

0.958

0.369

0.3071

0.2411

MP

K2Zr2NiH12(OF2)6

data_[K4Zr4Ni2H24O12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zr 1.3300 1.5500 0.8600 Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_...

5.142

0.0

0.6802

0.0

MP

KMn4(PO4)3

data_[K4Mn16P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [10.0293] _cell_length_b [16.88...

3.333

0.003

0.5734

0.0058

MP

LiFeF5

data_[Li4Fe4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.4789] _cell_length_b [6.0714] _cell_length_c [7.7195] _cel...

0.53

0.009

0.213

0.014

MP

Li4Ti3Mn2Cr3O16

data_[Li8Ti6Mn4Cr6O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

0.432

0.115

0.186

0.1033

MP

Mg30VSnO32

data_[Mg30V1Sn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6035] _cell_length_b [8.6...

1.862

0.061

0.4395

0.0635

MP

Rb5TiSb7O22

data_[Rb20Ti4Sb28O88] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ti 1.5400 1.4000 0.8517 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [10.4455] _cell_length_b [10....

1.631

0.0

0.4111

0.0

MP

Cs2AlP3O10

data_[Cs8Al4P12O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.4583] _cell_length_b [9....

4.679

0.0

0.6566

0.0

MP

Rb7EuFe6(P4O17)2

data_[Rb7Eu1Fe6P8O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Eu 1.2000 1.8500 1.1985 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a ...

0.007

0.0

0.0079

0.0

MP

NaCaMgCr(SiO3)4

data_[Na6Ca6Mg6Cr6Si24O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_g...

3.046

0.005

0.5518

0.0088

MP

Cs2K2TeO5

data_[Cs8K8Te4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [9.3616] _cell_length_b [9....

2.025

0.0

0.4579

0.0

MP

Al2SiO5

data_[Al8Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6356] _cell_length_b [7.2039] _cell_length_c [7.9349] _cell...

5.404

0.0

0.6926

0.0

MP

Cd2Si(P2O7)2

data_[Cd8Si4P16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.4902] _cell_length_b [5.26...

4.145

0.0

0.6265

0.0

MP

ScC6(O2F3)3

data_[Sc4C24O24F36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [8.3971] _cell_length_b [9.1629...

0.0

0.204

0.0

0.1583

MP

ScTlP2S7

data_[Sc2Tl2P4S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Tl 1.6200 1.9000 1.3325 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [8.7480] _cell_length_b [10.0653]...

1.97

0.0

0.4518

0.0

MP

KV3Ge2O9

data_[K2V6Ge4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 V 1.6300 1.3500 0.7775 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.9865] _cell_length_b [5.98...

1.632

0.0

0.4112

0.0

MP

KMg30CrO32

data_[K1Mg30Cr1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5832] _cell_length_b [8.5...

3.588

0.047

0.5912

0.0518

MP

Mo9O26

data_[Mo72O208] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [29.7495] _cell_length_b [8.2196] _cell_length_c [17.1732] _cell_angle_alpha [90.0000] _cel...

0.498

0.0

0.2045

0.0

MP

BaNd2ZnS5

data_[Ba4Nd8Zn4S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nd 1.1400 1.8500 1.2765 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [7.9150] _cell_length_b [7....

1.143

0.021

0.3397

0.0275

MP

Ni3OF5

data_[Ni12O4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.0423] _cell_length_b [6.6914] _cell_length_c [7.2789] _cell...

0.607

0.074

0.2325

0.0737

MP

BaMgTe2O7

data_[Ba4Mg4Te8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [5.6564] _cell_length_b [15.4...

1.849

0.002

0.4379

0.0042

MP

Gd3Y13O24

data_[Gd6Y26O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Y 1.2200 1.8000 1.0400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [15.1807] _cell_length_b [10.7343] _cell_length_c [10.7311] _cel...

3.482

0.001

0.5839

0.0024

MP

TcS2

data_[Tc4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tc 1.9000 1.3500 0.7417 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.4080] _cell_length_b [6.5172] _cell_length_c [7.5399] _cell_angle_alpha [66.7892] _cell_angl...

1.188

0.0

0.3471

0.0

MP

ZrZn2Au

data_[Zr2Zn4Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Zn 1.6500 1.3500 0.8800 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.6954] _cell_length_b [11.1796] _cell_length_c [15.8359] ...

0.25

2.249

0.1272

0.6943

MP

La5AlSi2O13

data_[La10Al2Si4O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [9.8127] _cell_length_b [7.251...

4.158

0.003

0.6273

0.0058

MP

Na3Sr7Ta3Ti7O30

data_[Na3Sr7Ta3Ti7O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a...

1.794

0.008

0.4314

0.0128

MP

Zn(FeO2)2

data_[Zn24Fe48O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0405] _cell_length_b [6.0405] _cell_length_c [59.1949] _c...

1.479

0.035

0.3907

0.0411

MP

V2O5

data_[V16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fdd2] _cell_length_a [9.8034] _cell_length_b [19.7925] _cell_length_c [5.8187] _cell_angle_alpha [90.0000] _cell_an...

2.754

0.048

0.5281

0.0526

MP

Mg2Al3WS8

data_[Mg6Al9W3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2350] _cell_length_b [7.2350...

0.443

0.144

0.1892

0.1224

MP

ZnP2(HO)4

data_[Zn2P4H8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [6.5575] _cell_length_b [5.4774] _...

4.126

0.02

0.6254

0.0264

MP

LaAlO3

data_[La6Al6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.8191] _cell_length_b [7.9009] _cell_length_c [8.0550] _cell...

4.269

0.083

0.6338

0.0805

MP

Li3Tb(NO3)6

data_[Li12Tb4N24O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.9387] _cell_length_b [7....

3.104

0.0

0.5563

0.0

MP

Rb4B2S4O17

data_[Rb16B8S16O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 B 2.0400 0.8500 0.4100 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [8.1959] _cell_length_b [10.812...

5.291

0.0

0.6873

0.0

MP

CsK2AsCl6

data_[Cs4K8As4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.4573] _cell_length_b [11...

3.498

0.138

0.585

0.1185

MP

K3NbAs2O9

data_[K12Nb4As8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Nb 1.6000 1.4500 0.8200 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [22.9485] _cell_length_b [5.53...

3.139

0.0

0.559

0.0

MP

Ca3ScCoO6

data_[Ca18Sc6Co6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sc 1.3600 1.6000 0.8850 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.2384] _cell_length_b [9.2...

2.65

0.0

0.5191

0.0

MP

V4SnO12

data_[V8Sn2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.3723] _cell_length_b [9.1775] _cell_length_c [5.9852] _cell_a...

2.543

0.04

0.5095

0.0456

MP

CsNaMg14O15

data_[Cs1Na1Mg14O15] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [4.1996] _cell_length_b [8.3...

1.147

0.227

0.3404

0.1711

MP

Li3V3SbO8

data_[Li6V6Sb2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.5435] _cell_length_b [6.164...

0.757

0.088

0.2668

0.0842

MP

Fe(SbO2)2

data_[Fe4Sb8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/m] _cell_length_a [8.5722] _cell_length_b [8.5722] _cell_length_c [6.6136] _c...

1.394

0.101

0.3787

0.0936

MP

Li4Mn5O9F

data_[Li4Mn5O9F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1700] _cell_length_b [5.4024] _...

0.996

0.066

0.3141

0.0675

MP

LiSbTe2

data_[Li1Sb1Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.3393] _cell_length_b [4.3393] _cell_length_c [6.0846] _...

0.176

0.072

0.0985

0.0722

MP

Li2Fe2Si3O10

data_[Li4Fe4Si6O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4285] _cell_length_b [5.4628...

2.352

0.054

0.4916

0.0577

MP

Li4(FeO2)5

data_[Li4Fe5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1654] _cell_length_b [5.1719] _cell_length_c [7.9070] _cell_...

0.337

0.053

0.157

0.0569

MP

GePb(S2O7)3

data_[Ge2Pb2S12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.2873] _cell_length_b [9.5541...

3.974

0.0

0.6162

0.0

MP

Ta3InO9

data_[Ta12In4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.3994] _cell_length_b [7.6401] _cell_length_c [12.7166] _c...

2.019

0.106

0.4572

0.0971

MP

Tm2SiO5

data_[Tm8Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.1575] _cell_length_b [6.6930] _cell_length_c [6.7013] _c...

4.607

0.004

0.6527

0.0073

MP

CsAuBr3

data_[Cs4Au4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.9285] _cell_length_b [7.9285] _cell_length_c [11.7304]...

0.653

0.0

0.2435

0.0

MP

Hf2N2O

data_[Hf8N8O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.8313] _cell_length_b [6.7821] _cell_length_c [5.9189] _cell...

2.116

0.096

0.4677

0.09

MP

LiBiO2

data_[Li8Bi8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [5.3498] _cell_length_b [18.6313] _cell_length_c [4.7615] _ce...

2.037

0.002

0.4592

0.0042

MP

Ba(ErTe2)2

data_[Ba4Er8Te16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.7708] _cell_length_b [4.4632] _cell_length_c [16.2235] ...

1.311

0.0

0.3664

0.0

MP

Mg4SnN4

data_[Mg8Sn2N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.5891] _cell_length_b [5.6328] _cell_length_c [8.4324] _cell_...

0.0

0.062

0.0

0.0643

MP

Zr3Ni3Sb4

data_[Zr12Ni12Sb16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I-43d] _cell_length_a [9.1379] _cell_length_b [9.1379] _cell_length_c [9.1379]...

0.434

0.0

0.1866

0.0

MP

K3ReC4(N2O)2

data_[K3Re1C4N4O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Re 1.9000 1.3500 0.7125 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.47...

2.392

0.105

0.4954

0.0964

MP

GeI2

data_[Ge3I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.3074] _cell_length_b [4.3074] _cell_length_c [24.6120] _cell_angle_alpha [90.0000] _cell_a...

2.022

0.0

0.4576

0.0

MP

LiCu2F5

data_[Li4Cu8F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cu 1.9000 1.3500 0.8200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.4265] _cell_length_b [10.0231] _cell_length_c [3.1440] _c...

0.407

0.096

0.1787

0.09

MP

PSN(Cl2O)2

data_[P8S8N8Cl32O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7...

4.108

0.131

0.6243

0.114

MP

Cd3SiO5

data_[Cd6Si2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [6.9260] _cell_length_b [6.9260] _cell_length_c [5.0748] _c...

0.968

0.0

0.309

0.0

MP

Mn4Si7

data_[Mn16Si28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pcca] _cell_length_a [5.5025] _cell_length_b [5.5022] _cell_length_c [17.3661] _cell_angle_alpha [90.0000] _cel...

0.763

0.0

0.2681

0.0

MP

MgMn2O4

data_[Mg8Mn16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [10.4688] _cell_length_b [6.0574] _cell_length_c [10.5483] _ce...

0.442

0.027

0.1889

0.0335

MP

ErMnFeO5

data_[Er4Mn4Fe4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [7.3031] _cell_length_b [8.57...

1.159

0.008

0.3424

0.0128

MP

NbO2F

data_[Nb1O2F1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9094] _cell_length_b [3.9094] _cell_length_c [4.1553] _cell...

0.89

0.106

0.2941

0.0971

MP

Cs2HfF6

data_[Cs2Hf1F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.4824] _cell_length_b [6.4824] _cell_length_c [5.1397] _cel...

7.229

0.0

0.7665

0.0

MP

K2Zn4P4O21

data_[K4Zn8P8O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.2312] _cell_length_b [9.5152] _...

0.015

0.496

0.0146

0.2942

MP

Cs2Np(SO5)2

data_[Cs8Np4S8O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Np 1.3600 1.7500 1.0000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.0459] _cell_length_b [9.1...

0.213

0.0

0.1133

0.0

MP

Cr3Ni(PO4)4

data_[Cr3Ni1P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [4.7813] _cell_length_b [5.7714] ...

0.01

0.05

0.0106

0.0544

MP

Na3AuO3

data_[Na12Au4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [9.5738] _cell_length_b [9.5738] _cell_length_c [4.5625]...

1.792

0.0

0.4312

0.0

MP

ZrSnS3

data_[Zr4Sn4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.5725] _cell_length_b [3.7539] _cell_length_c [14.1517] _ce...

0.994

0.0

0.3138

0.0

MP

CuBiS2

data_[Cu4Bi4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.2918] _cell_length_b [3.9493] _cell_length_c [14.3944] _cel...

0.464

0.0

0.1952

0.0

MP

Ba5Gd2ZrAl2O13

data_[Ba10Gd4Zr2Al4O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Gd 1.2000 1.8000 1.0750 Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_l...

2.463

0.018

0.5021

0.0243

MP

SiH3I

data_[Si4H12I4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [4.9022] _cell_length_b [8.8785] _cell_length_c [11.0419] _ce...

4.219

0.0

0.6309

0.0

MP

NbSeCl3

data_[Nb4Se4Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [6.6488] _cell_length_b [7.0973] _cell_length_c [12.1381] _...

0.756

0.0

0.2666

0.0

MP

Li3Sb2P5O18

data_[Li6Sb4P10O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.5789] _cell_length_b [9.7881]...

1.814

0.036

0.4338

0.042

MP

Li2Si4NiO10

data_[Li8Si16Ni4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Si 1.9000 1.1000 0.5400 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.6740] _cell_length_b [9...

3.942

0.093

0.6142

0.0879

MP

NaY(IO3)4

data_[Na8Y8I32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [31.7415] _cell_length_b [5.6532] ...

3.315

0.0

0.5721

0.0

MP

Sm3CuSe6

data_[Sm12Cu4Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Cu 1.9000 1.3500 0.8200 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.2339] _cell_length_b [17.0351] _cell_length_c [7.9546...

0.701

0.003

0.2545

0.0058