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	BaThO3	data_[Ba4Th4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4512] _cell_length_b [9.0526] _cell_length_c [6.3884] _cel...	4.047	0.0	0.6206	0.0
MP	Y2PtPb	data_[Y4Pt2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Pt 2.2800 1.3500 0.8050 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.9028] _cell_length_b [13.1274] _cell_length_c [18.5625] _c...	0.109	2.564	0.0688	0.7376
MP	LiMnPO4	data_[Li4Mn4P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.8834] _cell_length_b [4.9960] ...	3.373	0.069	0.5763	0.0698
MP	Ca2AlH10IO8	data_[Ca2Al1H10I1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5....	3.777	0.0	0.6037	0.0
MP	Ba3(IrN2)2	data_[Ba12Ir8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.6854] _cell_length_b [10.1195] _cell_length_c [10.3364] _...	0.122	0.299	0.0749	0.2083
MP	Ga3Ru	data_[Ga12Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [6.5270] _cell_length_b [6.5270] _cell_length_c [6.8065] _cell_angle_alpha [90.0000] _c...	0.379	0.0	0.1702	0.0
MP	BePbF4	data_[Be4Pb4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.9922] _cell_length_b [5.4101] _cell_length_c [7.2995] _cel...	5.204	0.041	0.6832	0.0465
MP	KGaAs2O7	data_[K2Ga2As4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.3892] _cell_length_b [6.4828]...	2.683	0.0	0.5219	0.0
MP	Al2P3H9(CO3)3	data_[Al8P12H36C12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a ...	4.735	0.003	0.6595	0.0058
MP	Al3Pb5F19	data_[Al12Pb20F76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [14.4884] _cell_length_b [14.4884] _cell_length_c [7.3090] ...	5.011	0.009	0.6737	0.014
MP	Hg3(SBr)2	data_[Hg24S16Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.6894] _cell_length_b [9.5339] _cell_length_c [10.6178] ...	1.487	0.0	0.3919	0.0
MP	CsHSeO4	data_[Cs4H4Se4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1563] _cell_length_b [8.68...	3.644	0.0	0.595	0.0
MP	KFe2P3(O4F3)2	data_[K2Fe4P6O16F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7....	2.431	0.0	0.4991	0.0
MP	BaMg30NiO32	data_[Ba1Mg30Ni1O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6554] _cell_length_b [8...	3.078	0.077	0.5543	0.076
MP	NaMg30FeO32	data_[Na1Mg30Fe1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5187] _cell_length_b [8...	3.069	0.015	0.5536	0.021
MP	NdClO2	data_[Nd2Cl2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.1033] _cell_length_b [4.3406] _cell_length_c [6.5984] _ce...	3.469	0.174	0.583	0.1408
MP	Fe3Co2Cu(PO4)6	data_[Fe9Co6Cu3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...	0.164	0.077	0.0935	0.076
MP	K2Li2FeO4	data_[K8Li8Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [P2_1/c] _cell_length_a [5.5423] _cell_length_b [9.10...	0.403	0.051	0.1775	0.0552
MP	Li2Co(Si2O5)2	data_[Li8Co4Si16O40] 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 [P2_1/c] _cell_length_a [6.9444] _cell_length_b [9...	3.24	0.078	0.5666	0.0768
MP	Li3Nb3TeO12	data_[Li3Nb3Te1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1991] _cell_length_b [5.5261...	2.06	0.018	0.4617	0.0243
MP	CsTi2Cl7	data_[Cs2Ti4Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.8112] _cell_length_b [11.4158] _cell_length_c [7.5820]...	0.289	0.0	0.141	0.0
MP	Ca7TiN6	data_[Ca28Ti4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [6.3311] _cell_length_b [11.5166] _cell_length_c [12.8152] _...	1.319	0.028	0.3676	0.0345
MP	Na2WO4	data_[Na16W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [9.2810] _cell_length_b [9.2810] _cell_length_c [9.2810] _cel...	4.752	0.0	0.6604	0.0
MP	Sr2N	data_[Sr4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [25.3026] _cell_length_b [16.3781] _cell_length_c [13.0538] _cell_angle_alpha [90.0000] _cell_...	0.111	3.27	0.0697	0.8204
MP	RbTaGeO5	data_[Rb12Ta12Ge12O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.5412] _cell_lengt...	3.639	0.0	0.5946	0.0
MP	La12Mn11O36	data_[La24Mn22O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.9002] _cell_length_b [23.5910] _cell_length_c [11.1534...	0.136	0.192	0.0813	0.1514
MP	Si3N4	data_[Si12N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [7.4150] _cell_length_b [7.4150] _cell_length_c [6.2511] _cell_angle_alpha [90.0000] _cell_a...	2.354	0.707	0.4918	0.369
MP	CsSiI3	data_[Cs3Si3I9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [8.4846] _cell_length_b [8.4846] _cell_length_c [11.0735] _cell...	0.832	0.105	0.2826	0.0964
MP	Rb3AgO2	data_[Rb48Ag16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [12.9965] _cell_length_b [13.0342] _cell_length_c [14...	1.516	0.0	0.3958	0.0
MP	Ba8Ti3Nb4O24	data_[Ba8Ti3Nb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [5.8547] _cell_length_b [5.85...	1.969	0.018	0.4517	0.0243
MP	Li3V2F12	data_[Li6V4F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.0305] _cell_length_b [8.8424] _cell_length_c [9.7282] _cell_an...	0.68	0.028	0.2497	0.0345
MP	Li2Mn(SO4)2	data_[Li4Mn2S4O16] 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 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 [5.0559] _cell_length_b [8.43...	3.579	0.0	0.5906	0.0
MP	K2SnHOF6	data_[K32Sn16H16O16F96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 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 [Fdd2] _cell_length_a...	5.294	0.022	0.6875	0.0285
MP	SrZrS3	data_[Sr4Zr4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6062] _cell_length_b [3.8462] _cell_length_c [14.0677] _ce...	0.551	0.0	0.2185	0.0
MP	Sm2HgO4	data_[Sm8Hg4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.8715] _cell_length_b [3.7751] _cell_length_c [10.2562] _c...	2.225	0.0	0.479	0.0
MP	Eu5Si(Cl3O2)2	data_[Eu20Si4Cl24O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Si 1.9000 1.1000 0.5400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.0587] _cell_length_b [14...	0.79	0.006	0.2739	0.0101
MP	Ca6Fe(CoO4)3	data_[Ca18Fe3Co9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [9.1673] _cell_length_b [9.16...	0.207	0.0	0.1109	0.0
MP	SmBrO	data_[Sm2Br2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9530] _cell_length_b [3.9530] _cell_length_c [8.7047] _ce...	4.521	0.0	0.648	0.0
MP	LiSbWO6	data_[Li4Sb4W4O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.7593] _cell_length_b [17.740...	2.323	0.039	0.4887	0.0447
MP	NdAsO4	data_[Nd4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7715] _cell_length_b [7.1991] _cell_length_c [8.3825] _c...	3.902	0.027	0.6117	0.0335
MP	KTaTiO5	data_[K4Ta4Ti4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [Pnma] _cell_length_a [6.4820] _cell_length_b [3.8274...	3.019	0.001	0.5497	0.0024
MP	CdSiN2	data_[Cd16Si16N32] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.3134] _cell_length_b [10.6437] _cell_length_c [13.8730] ...	1.553	0.088	0.4008	0.0842
MP	Ca(B3O5)2	data_[Ca4B24O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [9.9392] _cell_length_b [8.8196] _cell_length_c [9.1781] _ce...	5.826	0.0	0.7116	0.0
MP	Te4As2S(OF6)2	data_[Te16As8S4O8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a ...	1.249	0.124	0.3568	0.1093
MP	ReC5BrO5	data_[Re4C20Br4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.1749] _cell_length_b [11.7...	2.441	0.155	0.5001	0.1293
MP	Li2InP2HO8	data_[Li4In2P4H2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 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 [P2_1] _cell_length_a [...	3.921	0.0	0.6129	0.0
MP	Ca3Hf2Fe2SiO12	data_[Ca24Hf16Fe16Si8O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hf 1.3000 1.5500 0.8500 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 [I4_1/acd] _cell...	2.694	0.0	0.5229	0.0
MP	CaGe2O5	data_[Ca4Ge8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.6693] _cell_length_b [8.9019] _cell_length_c [6.9850] _cel...	2.452	0.02	0.5011	0.0264
MP	KNaGdNbO5	data_[K2Na2Gd2Nb2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length...	2.774	0.0	0.5298	0.0
MP	Li2CoP2O7	data_[Li4Co2P4O14] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1704] _cell_length_b [7.2274] ...	3.206	0.018	0.5641	0.0243
MP	NaCaYCdF8	data_[Na2Ca2Y2Cd2F16] 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 Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_...	5.031	0.01	0.6747	0.0152
MP	K2In2P3Se10	data_[K8In8P12Se40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [20.1745] _cell_length_b [8....	1.567	0.0	0.4027	0.0
MP	Ag2S	data_[Ag6S3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4355] _cell_length_b [4.6200] _cell_length_c [9.8055] _cell_angle_alpha [99.7844] _cell_angle...	0.624	0.057	0.2366	0.0602
MP	Ca3Sb2	data_[Ca3Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.7800] _cell_length_b [5.7800] _cell_length_c [5.7800] _cell_angle_alpha [90.0000] _cell_...	0.085	0.421	0.0569	0.2637
MP	EuLu2O4	data_[Eu4Lu8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Lu 1.2700 1.7500 1.0010 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.8639] _cell_length_b [3.3488] _cell_length_c [11.7574] _ce...	0.137	0.02	0.0817	0.0264
MP	Li7Mn4CoO12	data_[Li14Mn8Co2O24] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [15.6919] _cell_length_b [2.87...	0.748	0.061	0.2649	0.0635
MP	Gd3Si2BO10	data_[Gd24Si16B8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.0270] _cell_length_b [22.9...	2.807	0.012	0.5325	0.0176
MP	Sb2SNF11	data_[Sb8S4N4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.3091] _cell_length_b [12.052...	3.569	0.085	0.5899	0.082
MP	CaGaBO4	data_[Ca8Ga8B8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccc2] _cell_length_a [8.4904] _cell_length_b [15.528...	3.961	0.0	0.6154	0.0
MP	BaY3F11	data_[Ba2Y6F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [8.6805] _cell_length_b [4.4293] _cell_length_c [16.2667] _cell...	6.03	0.068	0.7203	0.069
MP	Fe3H28(S2O15)2	data_[Fe3H28S4O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 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 [6.4231] _cell_length_b [6.5405] ...	1.028	0.005	0.3199	0.0088
MP	Lu2S3	data_[Lu32S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.1785] _cell_length_b [8.1785] _cell_length_c [24.4537] _cell_angle_alpha [90.0000] _cell...	2.051	0.063	0.4607	0.0651
MP	Np(SO6)2	data_[Np4S8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [14.3866] _cell_length_b [11.9286] _cell_length_c [5.6834] _cel...	0.044	0.172	0.0341	0.1397
MP	Na2BeO2	data_[Na16Be8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Be 1.5700 1.0500 0.5900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.9298] _cell_length_b [5.3472] _cell_length_c [12.9532] ...	2.725	0.0	0.5256	0.0
MP	ScRhO3	data_[Sc4Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5418] _cell_length_b [7.5743] _cell_length_c [5.1228] _cel...	1.05	0.051	0.3238	0.0552
MP	LiV(PO3)3	data_[Li2V2P6O18] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6c2] _cell_length_a [6.4972] _cell_length_b [6.4972]...	2.588	0.062	0.5136	0.0643
MP	Y2CoTe2(SO7)2	data_[Y2Co1Te2S2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 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 [5...	3.059	0.0	0.5529	0.0
MP	Na7Fe7P6(O8F)3	data_[Na14Fe14P12O48F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_...	3.089	0.01	0.5552	0.0152
MP	Li2Ti3O7	data_[Li8Ti12O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.2882] _cell_length_b [4.9387] _cell_length_c [10.5712] _...	2.547	0.053	0.5099	0.0569
MP	Dy5AgS8	data_[Dy10Ag2S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [8.3259] _cell_length_b [8.3259] _cell_length_c [8.3678] _cel...	1.732	0.034	0.4239	0.0402
MP	Ce3SiAgS7	data_[Ce6Si2Ag2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.3296] _cell_length_b [10....	0.02	0.0	0.0183	0.0
MP	HgPbF6	data_[Hg3Pb3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.6359] _cell_length_b [5.6359] _cell_length_c [15.8194] _cel...	1.319	0.0	0.3676	0.0
MP	Li3Co3OF7	data_[Li9Co9O3F21] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0866] _cell_length_b [6.0866]...	2.638	0.042	0.518	0.0474
MP	Na6CaZr(SiO3)6	data_[Na36Ca6Zr6Si36O108] 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 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_leng...	4.315	0.017	0.6364	0.0232
MP	V2PbO6	data_[V8Pb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9635] _cell_length_b [3.6785] _cell_length_c [13.0892] _cell...	2.256	0.03	0.4821	0.0364
MP	HC2N3	data_[H12C24N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2259] _cell_length_b [12.7729] _cell_length_c [16.9600] _cell_...	2.401	0.002	0.4963	0.0042
MP	LiNbRu2	data_[Li2Nb2Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.7848] _cell_length_b [10.4578] _cell_length_c [14.7862] _...	0.244	3.081	0.125	0.7999
MP	BaO	data_[Ba2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.8494] _cell_length_b [3.8494] _cell_length_c [6.6950] _cell_angle_alpha [90.0000] _cell...	2.36	0.019	0.4923	0.0254
MP	LiTi2NbCu2O9	data_[Li4Ti8Nb4Cu8O36] 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 Nb 1.6000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	0.039	0.083	0.031	0.0805
MP	Na9CaTa9TiO30	data_[Na18Ca2Ta18Ti2O60] 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 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...	2.539	0.094	0.5091	0.0886
MP	B6H10N	data_[B48H80N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Fm-3] _cell_length_a [10.9959] _cell_length_b [10.9959] _cell_length_c [10.9959] _cel...	5.657	0.0	0.7042	0.0
MP	KP2AuS7	data_[K4P8Au4S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.0746] _cell_length_b [9.7274] ...	1.55	0.007	0.4004	0.0115
MP	Li3MnV4O12	data_[Li12Mn4V16O48] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [12.3474] _cell_length_b [9.480...	1.384	0.05	0.3772	0.0544
MP	Ba2PrRuO6	data_[Ba4Pr2Ru2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Pr 1.1300 1.8500 1.0600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.0734] _cell_length_b [6....	0.275	0.005	0.1361	0.0088
MP	TlCuAs2PbS5	data_[Tl2Cu2As4Pb2S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...	1.353	0.014	0.3727	0.0199
MP	Hg(MoS2)6	data_[Hg1Mo6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [17.0840] _cell_length_b [17.4836] _cell_length_c [20.4003] _c...	0.145	2.284	0.0853	0.6994
MP	Mg(GaO2)2	data_[Mg16Ga32O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.2553] _cell_length_b [5.9783] _cell_length_c [19.6527] _c...	2.473	0.008	0.5031	0.0128
MP	Ba3(PS4)2	data_[Ba3P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.7331] _cell_length_b [6.7331] _cell_length_c [8.7879] _cell_...	2.003	0.007	0.4555	0.0115
MP	Ta4PbO11	data_[Ta24Pb6O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [6.3014] _cell_length_b [6.3014] _cell_length_c [37.3551] _ce...	3.207	0.006	0.5641	0.0101
MP	Mo2P4C14SNCl4	data_[Mo4P8C28S2N2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_na...	0.258	1.445	0.1301	0.5567
MP	SrCa7Mn6Al2O21	data_[Sr4Ca28Mn24Al8O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...	0.123	0.092	0.0753	0.0871
MP	SbPH4(O2F3)2	data_[Sb4P4H16O16F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 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 [...	4.159	0.003	0.6273	0.0058
MP	K2U(MoO5)2	data_[K16U8Mo16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.4770] _cell_length_b [13....	2.312	0.0	0.4877	0.0
MP	BaLi4O3	data_[Ba8Li32O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [5.7987] _cell_length_b [9.1950] _cell_length_c [13.6912] ...	3.574	0.086	0.5903	0.0827
MP	Na3VP2O9	data_[Na6V2P4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3186] _cell_length_b [6.4701...	0.435	0.036	0.1869	0.042
MP	UGeI6	data_[U2Ge2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.5131] _cell_length_b [7.5131] _cell_length_c [13.7548] _cel...	0.073	0.056	0.0506	0.0594
MP	Li4Ti3Mn3(TeO8)2	data_[Li8Ti6Mn6Te4O32] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	0.259	0.056	0.1304	0.0594
MP	Sb(PO3)4	data_[Sb4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [10.3543] _cell_length_b [8.7836] _cell_length_c [12.6289] _...	0.005	0.056	0.0061	0.0594
MP	Na4SnS4	data_[Na8Sn2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [7.9294] _cell_length_b [7.9294] _cell_length_c [7.0060] _c...	2.078	0.0	0.4636	0.0
MP	BeF2	data_[Be12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [8.5609] _cell_length_b [8.5609] _cell_length_c [8.5609] _cell_angle_alpha [90.0000] _cell_...	8.037	0.0	0.7936	0.0

MP

BaThO3

data_[Ba4Th4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4512] _cell_length_b [9.0526] _cell_length_c [6.3884] _cel...

4.047

0.0

0.6206

0.0

MP

Y2PtPb

data_[Y4Pt2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Pt 2.2800 1.3500 0.8050 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.9028] _cell_length_b [13.1274] _cell_length_c [18.5625] _c...

0.109

2.564

0.0688

0.7376

MP

LiMnPO4

data_[Li4Mn4P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.8834] _cell_length_b [4.9960] ...

3.373

0.069

0.5763

0.0698

MP

Ca2AlH10IO8

data_[Ca2Al1H10I1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 H 2.2000 0.2500 0.0000 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5....

3.777

0.0

0.6037

0.0

MP

Ba3(IrN2)2

data_[Ba12Ir8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.6854] _cell_length_b [10.1195] _cell_length_c [10.3364] _...

0.122

0.299

0.0749

0.2083

MP

Ga3Ru

data_[Ga12Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [6.5270] _cell_length_b [6.5270] _cell_length_c [6.8065] _cell_angle_alpha [90.0000] _c...

0.379

0.0

0.1702

0.0

MP

BePbF4

data_[Be4Pb4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.9922] _cell_length_b [5.4101] _cell_length_c [7.2995] _cel...

5.204

0.041

0.6832

0.0465

MP

KGaAs2O7

data_[K2Ga2As4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.3892] _cell_length_b [6.4828]...

2.683

0.0

0.5219

0.0

MP

Al2P3H9(CO3)3

data_[Al8P12H36C12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a ...

4.735

0.003

0.6595

0.0058

MP

Al3Pb5F19

data_[Al12Pb20F76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [14.4884] _cell_length_b [14.4884] _cell_length_c [7.3090] ...

5.011

0.009

0.6737

0.014

MP

Hg3(SBr)2

data_[Hg24S16Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.6894] _cell_length_b [9.5339] _cell_length_c [10.6178] ...

1.487

0.0

0.3919

0.0

MP

CsHSeO4

data_[Cs4H4Se4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.1563] _cell_length_b [8.68...

3.644

0.0

0.595

0.0

MP

KFe2P3(O4F3)2

data_[K2Fe4P6O16F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7....

2.431

0.0

0.4991

0.0

MP

BaMg30NiO32

data_[Ba1Mg30Ni1O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6554] _cell_length_b [8...

3.078

0.077

0.5543

0.076

MP

NaMg30FeO32

data_[Na1Mg30Fe1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5187] _cell_length_b [8...

3.069

0.015

0.5536

0.021

MP

NdClO2

data_[Nd2Cl2O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.1033] _cell_length_b [4.3406] _cell_length_c [6.5984] _ce...

3.469

0.174

0.583

0.1408

MP

Fe3Co2Cu(PO4)6

data_[Fe9Co6Cu3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...

0.164

0.077

0.0935

0.076

MP

K2Li2FeO4

data_[K8Li8Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [P2_1/c] _cell_length_a [5.5423] _cell_length_b [9.10...

0.403

0.051

0.1775

0.0552

MP

Li2Co(Si2O5)2

data_[Li8Co4Si16O40] 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 [P2_1/c] _cell_length_a [6.9444] _cell_length_b [9...

3.24

0.078

0.5666

0.0768

MP

Li3Nb3TeO12

data_[Li3Nb3Te1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1991] _cell_length_b [5.5261...

2.06

0.018

0.4617

0.0243

MP

CsTi2Cl7

data_[Cs2Ti4Cl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ti 1.5400 1.4000 0.8517 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.8112] _cell_length_b [11.4158] _cell_length_c [7.5820]...

0.289

0.0

0.141

0.0

MP

Ca7TiN6

data_[Ca28Ti4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [6.3311] _cell_length_b [11.5166] _cell_length_c [12.8152] _...

1.319

0.028

0.3676

0.0345

MP

Na2WO4

data_[Na16W8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [9.2810] _cell_length_b [9.2810] _cell_length_c [9.2810] _cel...

4.752

0.0

0.6604

0.0

MP

Sr2N

data_[Sr4N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [25.3026] _cell_length_b [16.3781] _cell_length_c [13.0538] _cell_angle_alpha [90.0000] _cell_...

0.111

3.27

0.0697

0.8204

MP

RbTaGeO5

data_[Rb12Ta12Ge12O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.5412] _cell_lengt...

3.639

0.0

0.5946

0.0

MP

La12Mn11O36

data_[La24Mn22O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.9002] _cell_length_b [23.5910] _cell_length_c [11.1534...

0.136

0.192

0.0813

0.1514

MP

Si3N4

data_[Si12N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [7.4150] _cell_length_b [7.4150] _cell_length_c [6.2511] _cell_angle_alpha [90.0000] _cell_a...

2.354

0.707

0.4918

0.369

MP

CsSiI3

data_[Cs3Si3I9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [8.4846] _cell_length_b [8.4846] _cell_length_c [11.0735] _cell...

0.832

0.105

0.2826

0.0964

MP

Rb3AgO2

data_[Rb48Ag16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [12.9965] _cell_length_b [13.0342] _cell_length_c [14...

1.516

0.0

0.3958

0.0

MP

Ba8Ti3Nb4O24

data_[Ba8Ti3Nb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [5.8547] _cell_length_b [5.85...

1.969

0.018

0.4517

0.0243

MP

Li3V2F12

data_[Li6V4F24] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.0305] _cell_length_b [8.8424] _cell_length_c [9.7282] _cell_an...

0.68

0.028

0.2497

0.0345

MP

Li2Mn(SO4)2

data_[Li4Mn2S4O16] 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 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 [5.0559] _cell_length_b [8.43...

3.579

0.0

0.5906

0.0

MP

K2SnHOF6

data_[K32Sn16H16O16F96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 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 [Fdd2] _cell_length_a...

5.294

0.022

0.6875

0.0285

MP

SrZrS3

data_[Sr4Zr4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.6062] _cell_length_b [3.8462] _cell_length_c [14.0677] _ce...

0.551

0.0

0.2185

0.0

MP

Sm2HgO4

data_[Sm8Hg4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.8715] _cell_length_b [3.7751] _cell_length_c [10.2562] _c...

2.225

0.0

0.479

0.0

MP

Eu5Si(Cl3O2)2

data_[Eu20Si4Cl24O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Si 1.9000 1.1000 0.5400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.0587] _cell_length_b [14...

0.79

0.006

0.2739

0.0101

MP

Ca6Fe(CoO4)3

data_[Ca18Fe3Co9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [9.1673] _cell_length_b [9.16...

0.207

0.0

0.1109

0.0

MP

SmBrO

data_[Sm2Br2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9530] _cell_length_b [3.9530] _cell_length_c [8.7047] _ce...

4.521

0.0

0.648

0.0

MP

LiSbWO6

data_[Li4Sb4W4O24] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [4.7593] _cell_length_b [17.740...

2.323

0.039

0.4887

0.0447

MP

NdAsO4

data_[Nd4As4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7715] _cell_length_b [7.1991] _cell_length_c [8.3825] _c...

3.902

0.027

0.6117

0.0335

MP

KTaTiO5

data_[K4Ta4Ti4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [Pnma] _cell_length_a [6.4820] _cell_length_b [3.8274...

3.019

0.001

0.5497

0.0024

MP

CdSiN2

data_[Cd16Si16N32] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [5.3134] _cell_length_b [10.6437] _cell_length_c [13.8730] ...

1.553

0.088

0.4008

0.0842

MP

Ca(B3O5)2

data_[Ca4B24O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 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 [9.9392] _cell_length_b [8.8196] _cell_length_c [9.1781] _ce...

5.826

0.0

0.7116

0.0

MP

Te4As2S(OF6)2

data_[Te16As8S4O8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a ...

1.249

0.124

0.3568

0.1093

MP

ReC5BrO5

data_[Re4C20Br4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Re 1.9000 1.3500 0.7125 C 2.5500 0.7000 0.3000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.1749] _cell_length_b [11.7...

2.441

0.155

0.5001

0.1293

MP

Li2InP2HO8

data_[Li4In2P4H2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 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 [P2_1] _cell_length_a [...

3.921

0.0

0.6129

0.0

MP

Ca3Hf2Fe2SiO12

data_[Ca24Hf16Fe16Si8O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hf 1.3000 1.5500 0.8500 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 [I4_1/acd] _cell...

2.694

0.0

0.5229

0.0

MP

CaGe2O5

data_[Ca4Ge8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.6693] _cell_length_b [8.9019] _cell_length_c [6.9850] _cel...

2.452

0.02

0.5011

0.0264

MP

KNaGdNbO5

data_[K2Na2Gd2Nb2O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Gd 1.2000 1.8000 1.0750 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length...

2.774

0.0

0.5298

0.0

MP

Li2CoP2O7

data_[Li4Co2P4O14] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1704] _cell_length_b [7.2274] ...

3.206

0.018

0.5641

0.0243

MP

NaCaYCdF8

data_[Na2Ca2Y2Cd2F16] 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 Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_...

5.031

0.01

0.6747

0.0152

MP

K2In2P3Se10

data_[K8In8P12Se40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [20.1745] _cell_length_b [8....

1.567

0.0

0.4027

0.0

MP

Ag2S

data_[Ag6S3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4355] _cell_length_b [4.6200] _cell_length_c [9.8055] _cell_angle_alpha [99.7844] _cell_angle...

0.624

0.057

0.2366

0.0602

MP

Ca3Sb2

data_[Ca3Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.7800] _cell_length_b [5.7800] _cell_length_c [5.7800] _cell_angle_alpha [90.0000] _cell_...

0.085

0.421

0.0569

0.2637

MP

EuLu2O4

data_[Eu4Lu8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Lu 1.2700 1.7500 1.0010 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.8639] _cell_length_b [3.3488] _cell_length_c [11.7574] _ce...

0.137

0.02

0.0817

0.0264

MP

Li7Mn4CoO12

data_[Li14Mn8Co2O24] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [15.6919] _cell_length_b [2.87...

0.748

0.061

0.2649

0.0635

MP

Gd3Si2BO10

data_[Gd24Si16B8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.0270] _cell_length_b [22.9...

2.807

0.012

0.5325

0.0176

MP

Sb2SNF11

data_[Sb8S4N4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.3091] _cell_length_b [12.052...

3.569

0.085

0.5899

0.082

MP

CaGaBO4

data_[Ca8Ga8B8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ga 1.8100 1.3000 0.7600 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ccc2] _cell_length_a [8.4904] _cell_length_b [15.528...

3.961

0.0

0.6154

0.0

MP

BaY3F11

data_[Ba2Y6F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Y 1.2200 1.8000 1.0400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [8.6805] _cell_length_b [4.4293] _cell_length_c [16.2667] _cell...

6.03

0.068

0.7203

0.069

MP

Fe3H28(S2O15)2

data_[Fe3H28S4O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 H 2.2000 0.2500 0.0000 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 [6.4231] _cell_length_b [6.5405] ...

1.028

0.005

0.3199

0.0088

MP

Lu2S3

data_[Lu32S48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.1785] _cell_length_b [8.1785] _cell_length_c [24.4537] _cell_angle_alpha [90.0000] _cell...

2.051

0.063

0.4607

0.0651

MP

Np(SO6)2

data_[Np4S8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pnma] _cell_length_a [14.3866] _cell_length_b [11.9286] _cell_length_c [5.6834] _cel...

0.044

0.172

0.0341

0.1397

MP

Na2BeO2

data_[Na16Be8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Be 1.5700 1.0500 0.5900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.9298] _cell_length_b [5.3472] _cell_length_c [12.9532] ...

2.725

0.0

0.5256

0.0

MP

ScRhO3

data_[Sc4Rh4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.5418] _cell_length_b [7.5743] _cell_length_c [5.1228] _cel...

1.05

0.051

0.3238

0.0552

MP

LiV(PO3)3

data_[Li2V2P6O18] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-6c2] _cell_length_a [6.4972] _cell_length_b [6.4972]...

2.588

0.062

0.5136

0.0643

MP

Y2CoTe2(SO7)2

data_[Y2Co1Te2S2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 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 [5...

3.059

0.0

0.5529

0.0

MP

Na7Fe7P6(O8F)3

data_[Na14Fe14P12O48F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_...

3.089

0.01

0.5552

0.0152

MP

Li2Ti3O7

data_[Li8Ti12O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.2882] _cell_length_b [4.9387] _cell_length_c [10.5712] _...

2.547

0.053

0.5099

0.0569

MP

Dy5AgS8

data_[Dy10Ag2S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [8.3259] _cell_length_b [8.3259] _cell_length_c [8.3678] _cel...

1.732

0.034

0.4239

0.0402

MP

Ce3SiAgS7

data_[Ce6Si2Ag2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.3296] _cell_length_b [10....

0.02

0.0

0.0183

0.0

MP

HgPbF6

data_[Hg3Pb3F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.6359] _cell_length_b [5.6359] _cell_length_c [15.8194] _cel...

1.319

0.0

0.3676

0.0

MP

Li3Co3OF7

data_[Li9Co9O3F21] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [6.0866] _cell_length_b [6.0866]...

2.638

0.042

0.518

0.0474

MP

Na6CaZr(SiO3)6

data_[Na36Ca6Zr6Si36O108] 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 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_leng...

4.315

0.017

0.6364

0.0232

MP

V2PbO6

data_[V8Pb4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9635] _cell_length_b [3.6785] _cell_length_c [13.0892] _cell...

2.256

0.03

0.4821

0.0364

MP

HC2N3

data_[H12C24N36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.2259] _cell_length_b [12.7729] _cell_length_c [16.9600] _cell_...

2.401

0.002

0.4963

0.0042

MP

LiNbRu2

data_[Li2Nb2Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nb 1.6000 1.4500 0.8200 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.7848] _cell_length_b [10.4578] _cell_length_c [14.7862] _...

0.244

3.081

0.125

0.7999

MP

BaO

data_[Ba2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.8494] _cell_length_b [3.8494] _cell_length_c [6.6950] _cell_angle_alpha [90.0000] _cell...

2.36

0.019

0.4923

0.0254

MP

LiTi2NbCu2O9

data_[Li4Ti8Nb4Cu8O36] 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 Nb 1.6000 1.4500 0.8200 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

0.039

0.083

0.031

0.0805

MP

Na9CaTa9TiO30

data_[Na18Ca2Ta18Ti2O60] 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 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...

2.539

0.094

0.5091

0.0886

MP

B6H10N

data_[B48H80N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Fm-3] _cell_length_a [10.9959] _cell_length_b [10.9959] _cell_length_c [10.9959] _cel...

5.657

0.0

0.7042

0.0

MP

KP2AuS7

data_[K4P8Au4S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 P 2.1900 1.0000 0.5500 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.0746] _cell_length_b [9.7274] ...

1.55

0.007

0.4004

0.0115

MP

Li3MnV4O12

data_[Li12Mn4V16O48] 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 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [12.3474] _cell_length_b [9.480...

1.384

0.05

0.3772

0.0544

MP

Ba2PrRuO6

data_[Ba4Pr2Ru2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Pr 1.1300 1.8500 1.0600 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.0734] _cell_length_b [6....

0.275

0.005

0.1361

0.0088

MP

TlCuAs2PbS5

data_[Tl2Cu2As4Pb2S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_...

1.353

0.014

0.3727

0.0199

MP

Hg(MoS2)6

data_[Hg1Mo6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Mo 2.1600 1.4500 0.7750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [17.0840] _cell_length_b [17.4836] _cell_length_c [20.4003] _c...

0.145

2.284

0.0853

0.6994

MP

Mg(GaO2)2

data_[Mg16Ga32O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.2553] _cell_length_b [5.9783] _cell_length_c [19.6527] _c...

2.473

0.008

0.5031

0.0128

MP

Ba3(PS4)2

data_[Ba3P2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.7331] _cell_length_b [6.7331] _cell_length_c [8.7879] _cell_...

2.003

0.007

0.4555

0.0115

MP

Ta4PbO11

data_[Ta24Pb6O66] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [6.3014] _cell_length_b [6.3014] _cell_length_c [37.3551] _ce...

3.207

0.006

0.5641

0.0101

MP

Mo2P4C14SNCl4

data_[Mo4P8C28S2N2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_na...

0.258

1.445

0.1301

0.5567

MP

SrCa7Mn6Al2O21

data_[Sr4Ca28Mn24Al8O84] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...

0.123

0.092

0.0753

0.0871

MP

SbPH4(O2F3)2

data_[Sb4P4H16O16F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 P 2.1900 1.0000 0.5500 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 [...

4.159

0.003

0.6273

0.0058

MP

K2U(MoO5)2

data_[K16U8Mo16O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.4770] _cell_length_b [13....

2.312

0.0

0.4877

0.0

MP

BaLi4O3

data_[Ba8Li32O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [5.7987] _cell_length_b [9.1950] _cell_length_c [13.6912] ...

3.574

0.086

0.5903

0.0827

MP

Na3VP2O9

data_[Na6V2P4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.3186] _cell_length_b [6.4701...

0.435

0.036

0.1869

0.042

MP

UGeI6

data_[U2Ge2I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ge 2.0100 1.2500 0.7700 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.5131] _cell_length_b [7.5131] _cell_length_c [13.7548] _cel...

0.073

0.056

0.0506

0.0594

MP

Li4Ti3Mn3(TeO8)2

data_[Li8Ti6Mn6Te4O32] 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 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

0.259

0.056

0.1304

0.0594

MP

Sb(PO3)4

data_[Sb4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [10.3543] _cell_length_b [8.7836] _cell_length_c [12.6289] _...

0.005

0.056

0.0061

0.0594

MP

Na4SnS4

data_[Na8Sn2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P-42_1c] _cell_length_a [7.9294] _cell_length_b [7.9294] _cell_length_c [7.0060] _c...

2.078

0.0

0.4636

0.0

MP

BeF2

data_[Be12F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [8.5609] _cell_length_b [8.5609] _cell_length_c [8.5609] _cell_angle_alpha [90.0000] _cell_...

8.037

0.0

0.7936

0.0