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	DyWO4	data_[Dy4W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.2754] _cell_length_b [5.2754] _cell_length_c [11.1142] _ce...	1.452	0.069	0.387	0.0698
MP	LiMo(PO4)2	data_[Li12Mo12P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 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 [10.1277] _cell_length_b [...	2.986	0.012	0.5471	0.0176
MP	Mo(PO4)2	data_[Mo12P24O96] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9817] _cell_length_b [11.9110] _cell_length_c [17.4356] ...	1.793	0.021	0.4313	0.0275
MP	Gd2Nb2N2O5	data_[Gd8Nb8N8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Nb 1.6000 1.4500 0.8200 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5453] _cell_length_b [7.8932] ...	1.593	0.073	0.4061	0.0729
MP	Hg4Sb2I3	data_[Hg32Sb16I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [13.9107] _cell_length_b [13.9107] _cell_length_c [13.9107]...	0.727	0.0	0.2603	0.0
MP	Pb2OF2	data_[Pb8O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [8.3538] _cell_length_b [8.3538] _cell_length_c [5.8255] _ce...	2.851	0.0	0.5362	0.0
MP	AlInSb2	data_[Al3In3Sb6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.5525] _cell_length_b [4.5525] _cell_length_c [22.2088] _ce...	0.238	0.028	0.1227	0.0345
MP	AlSiPH9C3NCl6	data_[Al8Si8P8H72C24N8Cl48] 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 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 Cl 3.1600 1.0000 ...	3.584	0.124	0.5909	0.1093
MP	CsRbC2	data_[Cs4Rb4C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.4415] _cell_length_b [6.1236] _cell_length_c [9.5230] _cell...	3.342	0.349	0.574	0.232
MP	MnFe(PO4)2	data_[Mn2Fe2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_1/m] _cell_length_a [4.9080] _cell_length_b [5.97...	0.886	0.021	0.2934	0.0275
MP	NaCrSe2	data_[Na3Cr3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.7839] _cell_length_b [3.7839] _cell_length_c [20.4859] _c...	0.781	0.0	0.272	0.0
MP	Rb2LuSi4O10F	data_[Rb8Lu4Si16O40F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Lu 1.2700 1.7500 1.0010 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_lengt...	4.928	0.0	0.6695	0.0
MP	USb3O2F17	data_[U4Sb12O8F68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.3305] _cell_length_b [12.6...	2.453	0.0	0.5012	0.0
MP	LiCrPO4	data_[Li8Cr8P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 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 [5.8857] _cell_length_b [10.7...	2.421	0.051	0.4982	0.0552
MP	AgBiSe2	data_[Ag3Bi3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2002] _cell_length_b [4.2002] _cell_length_c [19.8938] _c...	0.234	0.004	0.1213	0.0073
MP	CeSe2	data_[Ce28Se56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [21.1575] _cell_length_b [14.3708] _cell_length_c [25.5959] _cell_angle_alpha [90.0000] _c...	1.029	0.544	0.3201	0.3125
MP	Na2MgInF7	data_[Na8Mg4In4F28] 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 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.6224] _cell_length_b [7.4...	5.035	0.0	0.6749	0.0
MP	Rb2ZnH4	data_[Rb8Zn4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.2109] _cell_length_b [6.0911] _cell_length_c [10.6949] _ce...	4.014	0.0	0.6186	0.0
MP	Gd3NbO7	data_[Gd6Nb2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pc] _cell_length_a [8.3173] _cell_length_b [5.5396] _cell_length_c [7.6535] _cell_...	2.531	0.111	0.5084	0.1005
MP	Ca2Mg(CO3)3	data_[Ca4Mg2C6O18] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [4.9106] _cell_length_b [4.9106...	4.589	0.012	0.6517	0.0176
MP	LuNbO4	data_[Lu4Nb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.0315] _cell_length_b [10.9086] _cell_length_c [5.0877] _ce...	3.397	0.0	0.578	0.0
MP	TaMn2FeO6	data_[Ta3Mn6Fe3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [R3] _cell_length_a [5.3323] _cell_length_b [5.3323...	1.628	0.05	0.4107	0.0544
MP	GeTeRh	data_[Ge8Te8Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [6.4367] _cell_length_b [6.4803] _cell_length_c [11.6597] _c...	0.252	0.048	0.1279	0.0526
MP	KLi2AlSi4(O5F)2	data_[K5Li10Al5Si20O50F10] 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 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_gro...	0.847	0.923	0.2856	0.4335
MP	LiCu2PO4	data_[Li2Cu4P2O8] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.1826] _cell_length_b [6.2388] _...	0.462	0.116	0.1946	0.104
MP	KBaBiTeO6	data_[K2Ba2Bi2Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...	1.561	0.0	0.4019	0.0
MP	Li5Mn2Co2(PO4)4	data_[Li5Mn2Co2P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	0.046	0.094	0.0353	0.0886
MP	FePO4	data_[Fe3P3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P3_121] _cell_length_a [5.2002] _cell_length_b [5.2002] _cell_length_c [11.5487] _ce...	2.699	0.01	0.5233	0.0152
MP	Na14Co2O9	data_[Na14Co2O9] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [6.6596] _cell_length_b [6.6596] _cell_length_c [9.3820] _cell...	0.893	0.009	0.2947	0.014
MP	BaPS3	data_[Ba4P4S12] 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 [P2_1/c] _cell_length_a [6.8567] _cell_length_b [7.9220] _cell_length_c [12.0138] _ce...	3.116	0.0	0.5573	0.0
MP	LuSI	data_[Lu1S1I1] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.4431] _cell_length_b [4.4431] _cell_length_c [5.1001] _cell_...	1.159	0.352	0.3424	0.2334
MP	Li2FeF5	data_[Li16Fe8F40] 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 [Pbam] _cell_length_a [7.2246] _cell_length_b [19.1997] _cell_length_c [5.4904] _c...	3.263	0.091	0.5683	0.0864
MP	Na4SrCaSi2	data_[Na4Sr1Ca1Si2] 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 Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.2991] _cell_length_b [5....	0.132	0.199	0.0795	0.1555
MP	CrN2	data_[Cr24N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6876] _cell_length_b [9.7664] _cell_length_c [18.0767] _cell_angle_alpha [90.0020] _cell_an...	0.095	0.35	0.0619	0.2325
MP	KV2CrO7	data_[K2V4Cr2O14] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.3694] _cell_length_b [4.9341] ...	1.842	0.02	0.4371	0.0264
MP	MgGeAs2	data_[Mg4Ge4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.0210] _cell_length_b [6.0210] _cell_length_c [11.3135] _...	0.554	0.007	0.2192	0.0115
MP	TiAs2O7	data_[Ti4As8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.0170] _cell_length_b [8.1054] _cell_length_c [9.5827] _cel...	2.566	0.005	0.5116	0.0088
MP	KYMg14O16	data_[K1Y1Mg14O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.7310] _cell_length_b [8.731...	1.884	0.154	0.442	0.1286
MP	Ho4CdNi	data_[Ho64Cd16Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Cd 1.6900 1.5500 1.0900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [13.4359] _cell_length_b [13.4359] _cell_length_c [13.43...	0.016	0.0	0.0153	0.0
MP	Li6Mn5Fe(BO3)6	data_[Li12Mn10Fe2B12O36] 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 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...	2.609	0.002	0.5154	0.0042
MP	Ca2SnS4	data_[Ca8Sn4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [9.7369] _cell_length_b [10.1690] _cell_length_c [7.0419] _ce...	2.442	0.071	0.5002	0.0714
MP	Ca2MgAl2(SiO4)3	data_[Ca4Mg2Al4Si6O24] 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 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_...	5.11	0.014	0.6786	0.0199
MP	LiP3W2O13	data_[Li2P6W4O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [6.8879] _cell_length_b [8.7652] ...	3.215	0.063	0.5647	0.0651
MP	Fe4O3F5	data_[Fe16O12F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.0142] _cell_length_b [6.5207] _cell_length_c [12.3762] _ce...	1.726	0.046	0.4231	0.0509
MP	K2BiAuCl6	data_[K8Bi4Au4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.8257] _cell_length_b [10...	0.963	0.068	0.3081	0.069
MP	LaCrO3	data_[La4Cr4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6081] _cell_length_b [7.8792] _cell_length_c [5.5613] _cel...	2.371	0.0	0.4934	0.0
MP	Li4GeS4	data_[Li16Ge4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.1913] _cell_length_b [7.8133] _cell_length_c [14.16...	2.52	0.0	0.5074	0.0
MP	TlHO	data_[Tl8H8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4249] _cell_length_b [4.5104] _cell_length_c [22.1187] _cell_an...	1.517	0.086	0.396	0.0827
MP	Ca3Mg9Al8(SiO4)12	data_[Ca6Mg18Al16Si24O96] 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 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 [C2] _cell_lengt...	4.98	0.039	0.6721	0.0447
MP	K4ZrO4	data_[K8Zr2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6486] _cell_length_b [6.6788] _cell_length_c [9.9289] _cell_an...	2.912	0.0	0.5412	0.0
MP	Na9Li7V16O48	data_[Na18Li14V32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.4145] _cell_length_b [9.27...	3.084	0.013	0.5548	0.0188
MP	Ag6Mo2ClO7F3	data_[Ag6Mo2Cl1O7F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a ...	1.587	0.0	0.4054	0.0
MP	HfPbO3	data_[Hf4Pb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8367] _cell_length_b [8.2787] _cell_length_c [5.8100] _cel...	2.756	0.015	0.5282	0.021
MP	DyNbO4	data_[Dy2Nb2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.1668] _cell_length_b [5.5232] _cell_length_c [5.3566] _cell...	3.261	0.003	0.5681	0.0058
MP	Zn2Mo(WO4)2	data_[Zn4Mo2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3034] _cell_length_b [6.3383] ...	1.642	0.092	0.4125	0.0871
MP	Se2NCl3	data_[Se32N16Cl48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [8.3782] _cell_length_b [26.2834] _cell_length_c [13.3675] ...	1.443	0.181	0.3857	0.145
MP	LuZnFeO4	data_[Lu3Zn3Fe3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 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 [3.4288] _cell_length_b [3.428...	1.146	0.049	0.3402	0.0535
MP	Cs2PtI6	data_[Cs8Pt4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.7382] _cell_length_b [11.7382] _cell_length_c [11.7382] ...	0.655	0.0	0.2439	0.0
MP	Y2CdAg	data_[Y4Cd2Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.1869] _cell_length_b [12.6151] _cell_length_c [17.8651] _c...	0.083	2.395	0.0558	0.715
MP	MgScS3	data_[Mg4Sc4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9261] _cell_length_b [11.8224] _cell_length_c [6.7965] _ce...	0.08	0.317	0.0543	0.217
MP	K2Nb4Fe2O13	data_[K4Nb8Fe4O26] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.3933] _cell_length_b [3.961...	1.814	0.0	0.4338	0.0
MP	Ba3(InN2)2	data_[Ba12In8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.5101] _cell_length_b [11.3912] _cell_length_c [10.3241] _...	1.0	0.264	0.3149	0.1907
MP	K2Mn2(SO4)3	data_[K8Mn8S12O48] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.3034] _cell_length_b [10.30...	4.573	0.0	0.6509	0.0
MP	Li2ZnAg	data_[Li4Zn2Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.6715] _cell_length_b [10.9581] _cell_length_c [15.4838] ...	0.549	1.069	0.2179	0.4719
MP	Al2NiO4	data_[Al16Ni8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.1729] _cell_length_b [8.1729] _cell_length_c [8.1729] _c...	3.395	0.024	0.5778	0.0305
MP	Gd3S3N	data_[Gd12S12N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.0158] _cell_length_b [3.8913] _cell_length_c [12.9090] _ce...	1.048	0.61	0.3235	0.3364
MP	Zr2SN2	data_[Zr2S1N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.6436] _cell_length_b [3.6436] _cell_length_c [6.4727] _cell_...	0.55	0.011	0.2182	0.0164
MP	Mn(SeO3)2	data_[Mn2Se4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [5.1734] _cell_length_b [6.8941] _cell_length_c [9.0114] _c...	1.597	0.0	0.4067	0.0
MP	MnP2O7	data_[Mn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [6.8429] _cell_length_b [7.9296] _cell_length_c [9.3128] _cel...	1.106	0.031	0.3335	0.0374
MP	Na2FeNiF7	data_[Na8Fe4Ni4F28] 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 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.2935] _cell_length_b [10.4...	2.663	0.0	0.5202	0.0
MP	Mn6OF11	data_[Mn24O4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/m] _cell_length_a [7.5674] _cell_length_b [7.3768] _cell_length_c [15.5778] _cel...	1.271	0.058	0.3603	0.061
MP	TmSeO3	data_[Tm8Se8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 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 [5.9173] _cell_length_b [12.4166] _cell_length_c [8.7339] _...	1.819	0.022	0.4344	0.0285
MP	Na6MnO4	data_[Na12Mn2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [7.7730] _cell_length_b [7.7730] _cell_length_c [5.9699] _c...	0.775	0.018	0.2707	0.0243
MP	Li6V3Cr(PO4)6	data_[Li6V3Cr1P6O24] 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 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8....	1.963	0.044	0.451	0.0492
MP	SnGeSe2	data_[Sn2Ge2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [4.0380] _cell_length_b [4.5728] _cell_length_c [11.4464] ...	0.746	0.009	0.2645	0.014
MP	Bi(W2Cl5)3	data_[Bi8W48Cl120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 W 2.3600 1.3500 0.7667 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.0907] _cell_length_b [13.4166] _cell_length_c [26.7412]...	1.955	0.0	0.4501	0.0
MP	CuP4Se3Cl	data_[Cu4P16Se12Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.5218] _cell_length_b [...	1.64	0.0	0.4123	0.0
MP	K2H12Ru(SO7)2	data_[K4H24Ru2S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 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 ...	2.024	0.048	0.4578	0.0526
MP	K2TlGaBr6	data_[K8Tl4Ga4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tl 1.6200 1.9000 1.3325 Ga 1.8100 1.3000 0.7600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.3900] _cell_length_b [11...	1.6	0.129	0.4071	0.1127
MP	K2Mo3SO17	data_[K8Mo12S4O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 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 [9.3925] _cell_length_b [10.95...	0.678	0.472	0.2493	0.2847
MP	InClO	data_[In2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.5780] _cell_length_b [4.1580] _cell_length_c [8.6628] _cell...	2.364	0.0	0.4927	0.0
MP	MgTi3Pb5WO15	data_[Mg2Ti6Pb10W2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_lengt...	1.685	0.033	0.418	0.0392
MP	Sn2N2O	data_[Sn32N32O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.4510] _cell_length_b [6.4510] _cell_length_c [27.4532]...	0.677	0.043	0.249	0.0483
MP	Sr5(SnP3)2	data_[Sr10Sn4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [12.3072] _cell_length_b [13.9167] _cell_length_c [4.1680] _...	0.368	0.006	0.1668	0.0101
MP	Na4Co3P4(H3O4)6	data_[Na8Co6P8H36O48] 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 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/c] _cell_length_...	3.066	0.027	0.5534	0.0335
MP	K4Cu3As4(HO8)2	data_[K8Cu6As8H4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...	0.631	0.006	0.2383	0.0101
MP	PCl3O	data_[P4Cl12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [9.9028] _cell_length_b [6.0713] _cell_length_c [9.8133] _cel...	4.468	0.003	0.6451	0.0058
MP	CaB12(H3O2)4	data_[Ca4B48H48O32] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [11.1201] _cell_length_b ...	0.031	0.882	0.0259	0.422
MP	TiSiO4	data_[Ti4Si4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.3503] _cell_length_b [8.0780] _cell_length_c [6.2785] _cel...	1.654	0.162	0.4141	0.1336
MP	BaAlB4H3O10	data_[Ba8Al8B32H24O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a...	5.392	0.0	0.6921	0.0
MP	BC6XeF11	data_[B4C24Xe4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6126] _cell_length_b [19.4333...	1.592	0.485	0.406	0.2899
MP	ThH2SO6	data_[Th4H8S4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 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 [Pnma] _cell_length_a [11.8059] _cell_length_b [6.0990]...	5.081	0.0	0.6772	0.0
MP	BaTa2Bi2O9	data_[Ba2Ta4Bi4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ta 1.5000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9687] _cell_length_b [3....	1.576	0.03	0.4039	0.0364
MP	LiVF5	data_[Li2V2F10] 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 [P4/n] _cell_length_a [6.7820] _cell_length_b [6.7820] _cell_length_c [4.5996] _cell_...	2.064	0.07	0.4621	0.0706
MP	K3GdH6(C2O5)3	data_[K6Gd2H12C12O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 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 [P-1] _cell_length_a [8...	0.852	0.054	0.2866	0.0577
MP	Na2Cd(SiO3)2	data_[Na12Cd6Si12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Pmn2_1] _cell_length_a [10.5474] _cell_length_b ...	3.07	0.021	0.5537	0.0275
MP	K2Be2O3	data_[K4Be4O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [4.9562] _cell_length_b [8.1878] _cell_length_c [6.4372] _cell...	3.285	0.036	0.5699	0.042
MP	Ca2As2O7	data_[Ca4As4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1618] _cell_length_b [9.4489] _cell_length_c [4.9885] _cel...	3.337	0.0	0.5737	0.0
MP	MgP4O11	data_[Mg4P16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [5.4731] _cell_length_b [22.5685] _cell_length_c [7.5753] _c...	5.09	0.0	0.6776	0.0
MP	Gd3SbO3	data_[Gd12Sb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [13.3791] _cell_length_b [3.9299] _cell_length_c [11.9612] _...	0.249	0.005	0.1268	0.0088

MP

DyWO4

data_[Dy4W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.2754] _cell_length_b [5.2754] _cell_length_c [11.1142] _ce...

1.452

0.069

0.387

0.0698

MP

LiMo(PO4)2

data_[Li12Mo12P24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mo 2.1600 1.4500 0.7750 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 [10.1277] _cell_length_b [...

2.986

0.012

0.5471

0.0176

MP

Mo(PO4)2

data_[Mo12P24O96] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.9817] _cell_length_b [11.9110] _cell_length_c [17.4356] ...

1.793

0.021

0.4313

0.0275

MP

Gd2Nb2N2O5

data_[Gd8Nb8N8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Nb 1.6000 1.4500 0.8200 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.5453] _cell_length_b [7.8932] ...

1.593

0.073

0.4061

0.0729

MP

Hg4Sb2I3

data_[Hg32Sb16I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [13.9107] _cell_length_b [13.9107] _cell_length_c [13.9107]...

0.727

0.0

0.2603

0.0

MP

Pb2OF2

data_[Pb8O4F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2/nmc] _cell_length_a [8.3538] _cell_length_b [8.3538] _cell_length_c [5.8255] _ce...

2.851

0.0

0.5362

0.0

MP

AlInSb2

data_[Al3In3Sb6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 In 1.7800 1.5500 0.9400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [4.5525] _cell_length_b [4.5525] _cell_length_c [22.2088] _ce...

0.238

0.028

0.1227

0.0345

MP

AlSiPH9C3NCl6

data_[Al8Si8P8H72C24N8Cl48] 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 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 Cl 3.1600 1.0000 ...

3.584

0.124

0.5909

0.1093

MP

CsRbC2

data_[Cs4Rb4C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.4415] _cell_length_b [6.1236] _cell_length_c [9.5230] _cell...

3.342

0.349

0.574

0.232

MP

MnFe(PO4)2

data_[Mn2Fe2P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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_1/m] _cell_length_a [4.9080] _cell_length_b [5.97...

0.886

0.021

0.2934

0.0275

MP

NaCrSe2

data_[Na3Cr3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.7839] _cell_length_b [3.7839] _cell_length_c [20.4859] _c...

0.781

0.0

0.272

0.0

MP

Rb2LuSi4O10F

data_[Rb8Lu4Si16O40F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Lu 1.2700 1.7500 1.0010 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_lengt...

4.928

0.0

0.6695

0.0

MP

USb3O2F17

data_[U4Sb12O8F68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.3305] _cell_length_b [12.6...

2.453

0.0

0.5012

0.0

MP

LiCrPO4

data_[Li8Cr8P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cr 1.6600 1.4000 0.9400 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 [5.8857] _cell_length_b [10.7...

2.421

0.051

0.4982

0.0552

MP

AgBiSe2

data_[Ag3Bi3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2002] _cell_length_b [4.2002] _cell_length_c [19.8938] _c...

0.234

0.004

0.1213

0.0073

MP

CeSe2

data_[Ce28Se56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [21.1575] _cell_length_b [14.3708] _cell_length_c [25.5959] _cell_angle_alpha [90.0000] _c...

1.029

0.544

0.3201

0.3125

MP

Na2MgInF7

data_[Na8Mg4In4F28] 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 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [10.6224] _cell_length_b [7.4...

5.035

0.0

0.6749

0.0

MP

Rb2ZnH4

data_[Rb8Zn4H16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zn 1.6500 1.3500 0.8800 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.2109] _cell_length_b [6.0911] _cell_length_c [10.6949] _ce...

4.014

0.0

0.6186

0.0

MP

Gd3NbO7

data_[Gd6Nb2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Pc] _cell_length_a [8.3173] _cell_length_b [5.5396] _cell_length_c [7.6535] _cell_...

2.531

0.111

0.5084

0.1005

MP

Ca2Mg(CO3)3

data_[Ca4Mg2C6O18] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P31c] _cell_length_a [4.9106] _cell_length_b [4.9106...

4.589

0.012

0.6517

0.0176

MP

LuNbO4

data_[Lu4Nb4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.0315] _cell_length_b [10.9086] _cell_length_c [5.0877] _ce...

3.397

0.0

0.578

0.0

MP

TaMn2FeO6

data_[Ta3Mn6Fe3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 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 [R3] _cell_length_a [5.3323] _cell_length_b [5.3323...

1.628

0.05

0.4107

0.0544

MP

GeTeRh

data_[Ge8Te8Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Te 2.1000 1.4000 1.2933 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [6.4367] _cell_length_b [6.4803] _cell_length_c [11.6597] _c...

0.252

0.048

0.1279

0.0526

MP

KLi2AlSi4(O5F)2

data_[K5Li10Al5Si20O50F10] 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 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_gro...

0.847

0.923

0.2856

0.4335

MP

LiCu2PO4

data_[Li2Cu4P2O8] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.1826] _cell_length_b [6.2388] _...

0.462

0.116

0.1946

0.104

MP

KBaBiTeO6

data_[K2Ba2Bi2Te2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length...

1.561

0.0

0.4019

0.0

MP

Li5Mn2Co2(PO4)4

data_[Li5Mn2Co2P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

0.046

0.094

0.0353

0.0886

MP

FePO4

data_[Fe3P3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P3_121] _cell_length_a [5.2002] _cell_length_b [5.2002] _cell_length_c [11.5487] _ce...

2.699

0.01

0.5233

0.0152

MP

Na14Co2O9

data_[Na14Co2O9] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [6.6596] _cell_length_b [6.6596] _cell_length_c [9.3820] _cell...

0.893

0.009

0.2947

0.014

MP

BaPS3

data_[Ba4P4S12] 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 [P2_1/c] _cell_length_a [6.8567] _cell_length_b [7.9220] _cell_length_c [12.0138] _ce...

3.116

0.0

0.5573

0.0

MP

LuSI

data_[Lu1S1I1] 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 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.4431] _cell_length_b [4.4431] _cell_length_c [5.1001] _cell_...

1.159

0.352

0.3424

0.2334

MP

Li2FeF5

data_[Li16Fe8F40] 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 [Pbam] _cell_length_a [7.2246] _cell_length_b [19.1997] _cell_length_c [5.4904] _c...

3.263

0.091

0.5683

0.0864

MP

Na4SrCaSi2

data_[Na4Sr1Ca1Si2] 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 Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.2991] _cell_length_b [5....

0.132

0.199

0.0795

0.1555

MP

CrN2

data_[Cr24N48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.6876] _cell_length_b [9.7664] _cell_length_c [18.0767] _cell_angle_alpha [90.0020] _cell_an...

0.095

0.35

0.0619

0.2325

MP

KV2CrO7

data_[K2V4Cr2O14] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [8.3694] _cell_length_b [4.9341] ...

1.842

0.02

0.4371

0.0264

MP

MgGeAs2

data_[Mg4Ge4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [6.0210] _cell_length_b [6.0210] _cell_length_c [11.3135] _...

0.554

0.007

0.2192

0.0115

MP

TiAs2O7

data_[Ti4As8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [7.0170] _cell_length_b [8.1054] _cell_length_c [9.5827] _cel...

2.566

0.005

0.5116

0.0088

MP

KYMg14O16

data_[K1Y1Mg14O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.7310] _cell_length_b [8.731...

1.884

0.154

0.442

0.1286

MP

Ho4CdNi

data_[Ho64Cd16Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Cd 1.6900 1.5500 1.0900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [13.4359] _cell_length_b [13.4359] _cell_length_c [13.43...

0.016

0.0

0.0153

0.0

MP

Li6Mn5Fe(BO3)6

data_[Li12Mn10Fe2B12O36] 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 Fe 1.8300 1.4000 0.8525 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...

2.609

0.002

0.5154

0.0042

MP

Ca2SnS4

data_[Ca8Sn4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Ama2] _cell_length_a [9.7369] _cell_length_b [10.1690] _cell_length_c [7.0419] _ce...

2.442

0.071

0.5002

0.0714

MP

Ca2MgAl2(SiO4)3

data_[Ca4Mg2Al4Si6O24] 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 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_...

5.11

0.014

0.6786

0.0199

MP

LiP3W2O13

data_[Li2P6W4O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 P 2.1900 1.0000 0.5500 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [6.8879] _cell_length_b [8.7652] ...

3.215

0.063

0.5647

0.0651

MP

Fe4O3F5

data_[Fe16O12F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [7.0142] _cell_length_b [6.5207] _cell_length_c [12.3762] _ce...

1.726

0.046

0.4231

0.0509

MP

K2BiAuCl6

data_[K8Bi4Au4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Bi 2.0200 1.6000 1.0350 Au 2.5400 1.3500 1.0700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.8257] _cell_length_b [10...

0.963

0.068

0.3081

0.069

MP

LaCrO3

data_[La4Cr4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.6081] _cell_length_b [7.8792] _cell_length_c [5.5613] _cel...

2.371

0.0

0.4934

0.0

MP

Li4GeS4

data_[Li16Ge4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [6.1913] _cell_length_b [7.8133] _cell_length_c [14.16...

2.52

0.0

0.5074

0.0

MP

TlHO

data_[Tl8H8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4249] _cell_length_b [4.5104] _cell_length_c [22.1187] _cell_an...

1.517

0.086

0.396

0.0827

MP

Ca3Mg9Al8(SiO4)12

data_[Ca6Mg18Al16Si24O96] 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 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 [C2] _cell_lengt...

4.98

0.039

0.6721

0.0447

MP

K4ZrO4

data_[K8Zr2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.6486] _cell_length_b [6.6788] _cell_length_c [9.9289] _cell_an...

2.912

0.0

0.5412

0.0

MP

Na9Li7V16O48

data_[Na18Li14V32O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.4145] _cell_length_b [9.27...

3.084

0.013

0.5548

0.0188

MP

Ag6Mo2ClO7F3

data_[Ag6Mo2Cl1O7F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Mo 2.1600 1.4500 0.7750 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a ...

1.587

0.0

0.4054

0.0

MP

HfPbO3

data_[Hf4Pb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8367] _cell_length_b [8.2787] _cell_length_c [5.8100] _cel...

2.756

0.015

0.5282

0.021

MP

DyNbO4

data_[Dy2Nb2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [5.1668] _cell_length_b [5.5232] _cell_length_c [5.3566] _cell...

3.261

0.003

0.5681

0.0058

MP

Zn2Mo(WO4)2

data_[Zn4Mo2W4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Mo 2.1600 1.4500 0.7750 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [6.3034] _cell_length_b [6.3383] ...

1.642

0.092

0.4125

0.0871

MP

Se2NCl3

data_[Se32N16Cl48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [8.3782] _cell_length_b [26.2834] _cell_length_c [13.3675] ...

1.443

0.181

0.3857

0.145

MP

LuZnFeO4

data_[Lu3Zn3Fe3O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 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 [3.4288] _cell_length_b [3.428...

1.146

0.049

0.3402

0.0535

MP

Cs2PtI6

data_[Cs8Pt4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pt 2.2800 1.3500 0.8050 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.7382] _cell_length_b [11.7382] _cell_length_c [11.7382] ...

0.655

0.0

0.2439

0.0

MP

Y2CdAg

data_[Y4Cd2Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.1869] _cell_length_b [12.6151] _cell_length_c [17.8651] _c...

0.083

2.395

0.0558

0.715

MP

MgScS3

data_[Mg4Sc4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9261] _cell_length_b [11.8224] _cell_length_c [6.7965] _ce...

0.08

0.317

0.0543

0.217

MP

K2Nb4Fe2O13

data_[K4Nb8Fe4O26] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.3933] _cell_length_b [3.961...

1.814

0.0

0.4338

0.0

MP

Ba3(InN2)2

data_[Ba12In8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnna] _cell_length_a [6.5101] _cell_length_b [11.3912] _cell_length_c [10.3241] _...

1.0

0.264

0.3149

0.1907

MP

K2Mn2(SO4)3

data_[K8Mn8S12O48] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_13] _cell_length_a [10.3034] _cell_length_b [10.30...

4.573

0.0

0.6509

0.0

MP

Li2ZnAg

data_[Li4Zn2Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.6715] _cell_length_b [10.9581] _cell_length_c [15.4838] ...

0.549

1.069

0.2179

0.4719

MP

Al2NiO4

data_[Al16Ni8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.1729] _cell_length_b [8.1729] _cell_length_c [8.1729] _c...

3.395

0.024

0.5778

0.0305

MP

Gd3S3N

data_[Gd12S12N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.0158] _cell_length_b [3.8913] _cell_length_c [12.9090] _ce...

1.048

0.61

0.3235

0.3364

MP

Zr2SN2

data_[Zr2S1N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.6436] _cell_length_b [3.6436] _cell_length_c [6.4727] _cell_...

0.55

0.011

0.2182

0.0164

MP

Mn(SeO3)2

data_[Mn2Se4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [5.1734] _cell_length_b [6.8941] _cell_length_c [9.0114] _c...

1.597

0.0

0.4067

0.0

MP

MnP2O7

data_[Mn4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [6.8429] _cell_length_b [7.9296] _cell_length_c [9.3128] _cel...

1.106

0.031

0.3335

0.0374

MP

Na2FeNiF7

data_[Na8Fe4Ni4F28] 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 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.2935] _cell_length_b [10.4...

2.663

0.0

0.5202

0.0

MP

Mn6OF11

data_[Mn24O4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [C2/m] _cell_length_a [7.5674] _cell_length_b [7.3768] _cell_length_c [15.5778] _cel...

1.271

0.058

0.3603

0.061

MP

TmSeO3

data_[Tm8Se8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 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 [5.9173] _cell_length_b [12.4166] _cell_length_c [8.7339] _...

1.819

0.022

0.4344

0.0285

MP

Na6MnO4

data_[Na12Mn2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [7.7730] _cell_length_b [7.7730] _cell_length_c [5.9699] _c...

0.775

0.018

0.2707

0.0243

MP

Li6V3Cr(PO4)6

data_[Li6V3Cr1P6O24] 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 Cr 1.6600 1.4000 0.9400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [8....

1.963

0.044

0.451

0.0492

MP

SnGeSe2

data_[Sn2Ge2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [4.0380] _cell_length_b [4.5728] _cell_length_c [11.4464] ...

0.746

0.009

0.2645

0.014

MP

Bi(W2Cl5)3

data_[Bi8W48Cl120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 W 2.3600 1.3500 0.7667 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.0907] _cell_length_b [13.4166] _cell_length_c [26.7412]...

1.955

0.0

0.4501

0.0

MP

CuP4Se3Cl

data_[Cu4P16Se12Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.5218] _cell_length_b [...

1.64

0.0

0.4123

0.0

MP

K2H12Ru(SO7)2

data_[K4H24Ru2S4O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 Ru 2.2000 1.3000 0.6610 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 ...

2.024

0.048

0.4578

0.0526

MP

K2TlGaBr6

data_[K8Tl4Ga4Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tl 1.6200 1.9000 1.3325 Ga 1.8100 1.3000 0.7600 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.3900] _cell_length_b [11...

1.6

0.129

0.4071

0.1127

MP

K2Mo3SO17

data_[K8Mo12S4O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mo 2.1600 1.4500 0.7750 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 [9.3925] _cell_length_b [10.95...

0.678

0.472

0.2493

0.2847

MP

InClO

data_[In2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [3.5780] _cell_length_b [4.1580] _cell_length_c [8.6628] _cell...

2.364

0.0

0.4927

0.0

MP

MgTi3Pb5WO15

data_[Mg2Ti6Pb10W2O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ti 1.5400 1.4000 0.8517 Pb 2.3300 1.8000 1.1225 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_lengt...

1.685

0.033

0.418

0.0392

MP

Sn2N2O

data_[Sn32N32O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.4510] _cell_length_b [6.4510] _cell_length_c [27.4532]...

0.677

0.043

0.249

0.0483

MP

Sr5(SnP3)2

data_[Sr10Sn4P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [12.3072] _cell_length_b [13.9167] _cell_length_c [4.1680] _...

0.368

0.006

0.1668

0.0101

MP

Na4Co3P4(H3O4)6

data_[Na8Co6P8H36O48] 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 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/c] _cell_length_...

3.066

0.027

0.5534

0.0335

MP

K4Cu3As4(HO8)2

data_[K8Cu6As8H4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a...

0.631

0.006

0.2383

0.0101

MP

PCl3O

data_[P4Cl12O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [9.9028] _cell_length_b [6.0713] _cell_length_c [9.8133] _cel...

4.468

0.003

0.6451

0.0058

MP

CaB12(H3O2)4

data_[Ca4B48H48O32] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [11.1201] _cell_length_b ...

0.031

0.882

0.0259

0.422

MP

TiSiO4

data_[Ti4Si4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.3503] _cell_length_b [8.0780] _cell_length_c [6.2785] _cel...

1.654

0.162

0.4141

0.1336

MP

BaAlB4H3O10

data_[Ba8Al8B32H24O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Al 1.6100 1.2500 0.6750 B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a...

5.392

0.0

0.6921

0.0

MP

BC6XeF11

data_[B4C24Xe4F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 C 2.5500 0.7000 0.3000 Xe 2.6000 2.16 0.6200 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.6126] _cell_length_b [19.4333...

1.592

0.485

0.406

0.2899

MP

ThH2SO6

data_[Th4H8S4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Th 1.3000 1.8000 1.0800 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 [Pnma] _cell_length_a [11.8059] _cell_length_b [6.0990]...

5.081

0.0

0.6772

0.0

MP

BaTa2Bi2O9

data_[Ba2Ta4Bi4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ta 1.5000 1.4500 0.8200 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9687] _cell_length_b [3....

1.576

0.03

0.4039

0.0364

MP

LiVF5

data_[Li2V2F10] 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 [P4/n] _cell_length_a [6.7820] _cell_length_b [6.7820] _cell_length_c [4.5996] _cell_...

2.064

0.07

0.4621

0.0706

MP

K3GdH6(C2O5)3

data_[K6Gd2H12C12O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Gd 1.2000 1.8000 1.0750 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 [P-1] _cell_length_a [8...

0.852

0.054

0.2866

0.0577

MP

Na2Cd(SiO3)2

data_[Na12Cd6Si12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Pmn2_1] _cell_length_a [10.5474] _cell_length_b ...

3.07

0.021

0.5537

0.0275

MP

K2Be2O3

data_[K4Be4O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 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 [4.9562] _cell_length_b [8.1878] _cell_length_c [6.4372] _cell...

3.285

0.036

0.5699

0.042

MP

Ca2As2O7

data_[Ca4As4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1618] _cell_length_b [9.4489] _cell_length_c [4.9885] _cel...

3.337

0.0

0.5737

0.0

MP

MgP4O11

data_[Mg4P16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 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 [5.4731] _cell_length_b [22.5685] _cell_length_c [7.5753] _c...

5.09

0.0

0.6776

0.0

MP

Gd3SbO3

data_[Gd12Sb4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [13.3791] _cell_length_b [3.9299] _cell_length_c [11.9612] _...

0.249

0.005

0.1268

0.0088