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	Rb2CN2	data_[Rb4C2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1529] _cell_length_b [6.0826] _cell_length_c [6.1046] _cell_a...	2.823	0.0	0.5339	0.0
MP	Li2AgF3	data_[Li2Ag1F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [2.9879] _cell_length_b [2.9879] _cell_length_c [8.2210] _cel...	2.054	0.036	0.4611	0.042
MP	Na2Ni3O7	data_[Na4Ni6O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.0533] _cell_length_b [7.0895] _cell_length_c [7.0909] _cell_...	1.163	0.078	0.343	0.0768
MP	UTi22Fe18PbO76	data_[U1Ti22Fe18Pb1O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	0.107	0.624	0.0678	0.3413
MP	SrTiN2	data_[Sr2Ti2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9016] _cell_length_b [3.9016] _cell_length_c [7.7609] _ce...	0.793	0.0	0.2745	0.0
MP	TaN	data_[Ta50N50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.7131] _cell_length_b [10.7995] _cell_length_c [10.8667] _cell_angle_alpha [85.5801] _cell_...	0.03	0.463	0.0252	0.2811
MP	CuCClO	data_[Cu2C2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [3.6623] _cell_length_b [8.383...	2.387	0.12	0.4949	0.1067
MP	RbFeO2	data_[Rb4Fe4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [5.9005] _cell_length_b [5.9005] _cell_length_c [8.2499] _...	2.107	0.003	0.4667	0.0058
MP	VP2O7	data_[V4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0767] _cell_length_b [8.1498] _cell_length_c [9.0174] _cell_...	1.331	0.106	0.3694	0.0971
MP	Ga(PbN)3	data_[Ga2Pb6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.4654] _cell_length_b [10.4654] _cell_length_c [3.6367] _...	0.139	0.32	0.0826	0.2184
MP	Ga2CoS4	data_[Ga4Co2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [5.2920] _cell_length_b [5.2920] _cell_length_c [10.5137] _cell...	0.324	0.074	0.1528	0.0737
MP	Rb2ZrFe(PO4)3	data_[Rb8Zr4Fe4P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 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_13] _cell_length...	2.431	0.154	0.4991	0.1286
MP	Cs2LaN5O17	data_[Cs8La4N20O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 La 1.1000 1.9500 1.1720 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [18.8603] _cell_length_b [9.14...	0.246	0.155	0.1257	0.1293
MP	RbCdBr3	data_[Rb4Cd4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7377] _cell_length_b [4.3134] _cell_length_c [16.0741] _...	2.754	0.0	0.5281	0.0
MP	Ba2Ca(BO2)6	data_[Ba6Ca3B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [R-3] _cell_length_a [7.2422] _cell_length_b [7.2422...	4.962	0.0	0.6712	0.0
MP	Li3Co2O5	data_[Li12Co8O20] 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 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5822] _cell_length_b [2.9198] _cell_length_c [9.7577] _c...	0.207	0.072	0.1109	0.0722
MP	Rb2AgBr3	data_[Rb8Ag4Br12] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.8566] _cell_length_b [4.7245] _cell_length_c [19.1694] _...	2.667	0.0	0.5206	0.0
MP	Rb6Ti2O7	data_[Rb12Ti4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [9.9302] _cell_length_b [9.9302] _cell_length_c [9.9617] _cel...	2.179	0.031	0.4743	0.0374
MP	NaCe3GeS7	data_[Na2Ce6Ge2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.2850] _cell_length_b [10....	0.007	0.004	0.0079	0.0073
MP	LiFeF4	data_[Li4Fe4F16] 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 [I4_1/amd] _cell_length_a [6.4030] _cell_length_b [6.4030] _cell_length_c [6.8162] ...	3.213	0.105	0.5646	0.0964
MP	Cs3IO	data_[Cs6I2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [8.3222] _cell_length_b [8.3222] _cell_length_c [7.3402] _ce...	1.529	0.0	0.3976	0.0
MP	LiVFeO4	data_[Li4V4Fe4O16] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.8573] _cell_length_b [8.6868...	2.223	0.015	0.4788	0.021
MP	Sr7IrN6	data_[Sr28Ir4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [11.9257] _cell_length_b [6.7087] _cell_length_c [14.1515] _...	0.09	0.13	0.0594	0.1133
MP	LiVP3(H7O8)2	data_[Li2V2P6H28O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.5...	2.574	0.038	0.5123	0.0438
MP	Li2CuPO4	data_[Li8Cu4P4O16] 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 [P1] _cell_length_a [5.3854] _cell_length_b [6.2191] ...	1.199	0.061	0.3489	0.0635
MP	SmCoC2	data_[Sm2Co2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.7083] _cell_length_b [4.5255] _cell_length_c [6.0465] _cell...	0.003	0.016	0.004	0.0221
MP	Li2AgF4	data_[Li36Ag18F72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [14.2098] _cell_length_b [14.2098] _cell_length_c [10.6894] ...	0.562	0.053	0.2213	0.0569
MP	NaCu(PO3)4	data_[Na4Cu4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Cc] _cell_length_a [9.4620] _cell_length_b [13.1041...	0.709	0.006	0.2563	0.0101
MP	Tm2MgSe4	data_[Tm8Mg4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.0341] _cell_length_b [3.9677] _cell_length_c [13.8738] ...	1.578	0.071	0.4042	0.0714
MP	CsEr(MoO4)2	data_[Cs2Er2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Er 1.2400 1.7500 1.0300 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccm] _cell_length_a [5.0883] _cell_length_b [9.62...	3.574	0.03	0.5903	0.0364
MP	Ba7B4Se13	data_[Ba28B16Se52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 B 2.0400 0.8500 0.4100 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6704] _cell_length_b [25.5467] _cell_length_c [10.6630]...	2.186	0.0	0.475	0.0
MP	MgSnO3	data_[Mg1Sn1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0252] _cell_length_b [4.0252] _cell_length_c [4.0252] _cel...	1.308	0.63	0.3659	0.3433
MP	CeSe2	data_[Ce8Se16] 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 [C222_1] _cell_length_a [12.7142] _cell_length_b [14.4095] _cell_length_c [7.9354] _cell_angle_alpha [90.0000] _c...	0.964	0.531	0.3083	0.3076
MP	Na2Ti9O19	data_[Na4Ti18O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2919] _cell_length_b [3.8090] _cell_length_c [15.7982] _...	2.195	0.035	0.4759	0.0411
MP	MnI2	data_[Mn1I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1644] _cell_length_b [4.1644] _cell_length_c [7.6487] _cell_angle_alpha [90.0000] _cell_an...	1.171	0.0	0.3444	0.0
MP	Ce(SeO3)2	data_[Ce4Se8O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1553] _cell_length_b [10.8561] _cell_length_c [8.7504] _...	1.267	0.0	0.3596	0.0
MP	CsBa(BO2)3	data_[Cs6Ba6B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [12.6993] _cell_length_b [12.6...	4.042	0.003	0.6203	0.0058
MP	LiMnF4	data_[Li2Mn2F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.0761] _cell_length_b [5.3278] _cell_length_c [6.3304] _cell_...	2.26	0.042	0.4825	0.0474
MP	KZnAs	data_[K1Zn1As1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.2612] _cell_length_b [4.2612] _cell_length_c [5.2595] _cel...	0.199	0.009	0.1078	0.014
MP	Ti3VCu2(PO4)6	data_[Ti9V3Cu6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 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 [8...	0.057	0.016	0.0417	0.0221
MP	Ba(TaN2)2	data_[Ba12Ta24N48] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [11.3141] _cell_length_b [11.3141] _cell_length_c [11.3141]...	2.658	0.0	0.5198	0.0
MP	K2Mn3V2(HO5)2	data_[K4Mn6V4H4O20] 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 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15...	1.96	0.0	0.4507	0.0
MP	Mg3Al2(SiO4)3	data_[Mg24Al16Si24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [11.5712] _cell_length_b ...	5.118	0.039	0.679	0.0447
MP	Li2MnFe(PO4)2	data_[Li4Mn2Fe2P4O16] 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 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...	3.984	0.001	0.6168	0.0024
MP	K4Gd2C3O9F4	data_[K8Gd4C6O18F8] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.6...	2.703	0.012	0.5237	0.0176
MP	CdTeMoO6	data_[Cd2Te2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [5.3616] _cell_length_b [5...	3.189	0.0	0.5628	0.0
MP	DyTlO2	data_[Dy3Tl3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.5040] _cell_length_b [3.5040] _cell_length_c [19.5408] _cel...	1.482	0.099	0.3912	0.0922
MP	Cs2Ni(PS3)2	data_[Cs4Ni2P4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 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 [5.9456] _cell_length_b [12.9...	0.252	0.023	0.1279	0.0295
MP	Rb2MnV2O7	data_[Rb8Mn4V8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [P4_2/mnm] _cell_length_a [8.7582] _cell_length_b [8....	2.601	0.0	0.5147	0.0
MP	Sn2N2O	data_[Sn16N16O8] 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 [P1] _cell_length_a [8.8189] _cell_length_b [8.8284] _cell_length_c [8.8323] _cell_a...	0.714	0.063	0.2574	0.0651
MP	Li14MgSi4	data_[Li56Mg4Si16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [10.6541] _cell_length_b [10.6541] _cell_length_c [10.631...	0.099	0.0	0.0639	0.0
MP	CaZrSi3H4O11	data_[Ca4Zr4Si12H16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length...	4.672	0.024	0.6562	0.0305
MP	Cs3LaO3	data_[Cs12La4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.2147] _cell_length_b [13.2634] _cell_length_c [7.8345] _c...	1.742	0.037	0.4251	0.0429
MP	ErTlTe2	data_[Er3Tl3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.4400] _cell_length_b [4.4400] _cell_length_c [24.5824] _c...	0.821	0.0	0.2803	0.0
MP	Li2VF4	data_[Li8V4F16] 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 [Imma] _cell_length_a [6.0045] _cell_length_b [6.2798] _cell_length_c [8.5426] _cell_...	2.844	0.023	0.5356	0.0295
MP	CsB6H8O7	data_[Cs4B24H32O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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_1/c] _cell_length_a [8.6059] _cell_length_b [7.38...	2.008	0.281	0.456	0.1993
MP	SrC3O7	data_[Sr4C12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3823] _cell_length_b [17.1068] _cell_length_c [9.2892] _c...	0.533	0.36	0.2138	0.237
MP	Y2Zr2O7	data_[Y8Zr8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [7.8928] _cell_length_b [5.5462] _cell_length_c [13.8606] _cell...	4.069	0.064	0.622	0.0659
MP	MgO2	data_[Mg4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.2442] _cell_length_b [6.3540] _cell_length_c [6.8360] _cell_angle_alpha [88.4019] _cell_angl...	0.413	0.373	0.1805	0.2429
MP	BaLa4Ti4O15	data_[Ba2La8Ti8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [5.6297] _cell_length_b [5.6...	2.605	0.043	0.5151	0.0483
MP	TiAlFeCo	data_[Ti4Al4Fe4Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.8097] _cell_length_b [5....	0.125	0.0	0.0763	0.0
MP	Rb7NaZn2O6	data_[Rb14Na2Zn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2095] _cell_length_b [9.59...	1.571	0.0	0.4032	0.0
MP	KMoCl4O	data_[K8Mo8Cl32O8] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8823] _cell_length_b [9.29...	2.803	0.022	0.5322	0.0285
MP	Sr3(SiAs2)2	data_[Sr12Si8As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.2966] _cell_length_b [17.0022] _cell_length_c [7.4564] ...	0.918	0.0	0.2996	0.0
MP	LiCr6P7O24	data_[Li2Cr12P14O48] 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/m] _cell_length_a [5.4389] _cell_length_b [27...	2.38	0.022	0.4943	0.0285
MP	CoBr2	data_[Co1Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.7379] _cell_length_b [3.7379] _cell_length_c [6.9066] _cell_angle_alpha [90.0000] _cell_...	0.107	0.0	0.0678	0.0
MP	TlBiTe2	data_[Tl3Bi3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5928] _cell_length_b [4.5928] _cell_length_c [24.0146] _c...	0.468	0.0	0.1963	0.0
MP	PH3CS3	data_[P4H12C4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9065] _cell_length_b [8.4401]...	2.151	0.021	0.4714	0.0275
MP	Li2AlVO4	data_[Li4Al2V2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [6.3616] _cell_length_b [5.582...	2.328	0.096	0.4892	0.09
MP	Li10Ti2Mn3Ni3O16	data_[Li10Ti2Mn3Ni3O16] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...	0.429	0.097	0.1852	0.0907
MP	CeTh4O10	data_[Ce2Th8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9537] _cell_length_b [3.9537] _cell_length_c [27.9414] _...	1.433	0.0	0.3843	0.0
MP	Tb4F15	data_[Tb24F90] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [13.0829] _cell_length_b [13.0829] _cell_length_c [12.3810] _cell_angle_alpha [90.0000] _cel...	0.0	0.037	0.0	0.0429
MP	NaCe(CO3)2	data_[Na2Ce2C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [5.1995] _cell_length_b [6.44...	0.284	0.0	0.1393	0.0
MP	K6Sb2H18S8O9	data_[K12Sb4H36S16O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 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 [P2_1] _cell_length_a ...	2.047	0.482	0.4603	0.2887
MP	CaLaMnMoO6	data_[Ca2La2Mn2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...	1.387	0.066	0.3777	0.0675
MP	Pm2MgSe4	data_[Pm8Mg4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.7293] _cell_length_b [8.7293] _cell_length_c [9.1557] _...	1.606	0.08	0.4079	0.0783
MP	Na2TlAs	data_[Na4Tl2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tl 1.6200 1.9000 1.3325 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.2805] _cell_length_b [13.2229] _cell_length_c [18.8875] ...	0.016	1.184	0.0153	0.4997
MP	K2MnCl6	data_[K8Mn4Cl24] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.9046] _cell_length_b [9.9046] _cell_length_c [9.9046] _ce...	1.1	0.0	0.3325	0.0
MP	Tm2S3	data_[Tm8S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.8992] _cell_length_b [3.8865] _cell_length_c [11.1548] _cell_angle_alpha [90.0000] _cel...	1.183	0.022	0.3463	0.0285
MP	Rb2Zn2(MoO4)3	data_[Rb8Zn8Mo12O48] 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 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 [7.1919] _cell_length_b [9...	3.595	0.002	0.5917	0.0042
MP	LiSbAu2	data_[Li2Sb2Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.3681] _cell_length_b [11.1642] _cell_length_c [15.7829] ...	1.011	1.287	0.3169	0.5232
MP	Gd2MnCoO6	data_[Gd4Mn2Co2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [P2_1/c] _cell_length_a [5.3256] _cell_length_b [5....	0.918	0.0	0.2996	0.0
MP	Pb2CBr2O3	data_[Pb8C4Br8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 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 [P4/mbm] _cell_length_a [8.4797] _cell_length_b [8.47...	2.785	0.005	0.5307	0.0088
MP	Ti3MnSn2(PO4)6	data_[Ti9Mn3Sn6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...	1.304	0.009	0.3653	0.014
MP	Ba2MgGe2O7	data_[Ba4Mg2Ge4O14] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [8.4979] _cell_length_b [8...	3.626	0.0	0.5938	0.0
MP	RbPrO2	data_[Rb3Pr3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.7083] _cell_length_b [3.7083] _cell_length_c [19.8027] _cel...	3.398	0.0	0.578	0.0
MP	Li6NiOF6	data_[Li12Ni2O2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.9788] _cell_length_b [3.995...	1.941	0.088	0.4486	0.0842
MP	Sr4Nb2O9	data_[Sr8Nb4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9327] _cell_length_b [5.9604] _cell_length_c [15.8119] _cel...	3.567	0.002	0.5898	0.0042
MP	Li7Mn3(WO8)2	data_[Li14Mn6W4O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.2584] _cell_length_b [5.8621...	0.101	0.077	0.0649	0.076
MP	Li3FeOF3	data_[Li12Fe4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.9533] _cell_length_b [8.633...	3.513	0.096	0.5861	0.09
MP	Ba3(AlP2)2	data_[Ba12Al8P16] 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 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.3727] _cell_length_b [11.6672] _cell_length_c [11.7016] _...	1.282	0.0	0.362	0.0
MP	PH11C(NO2)2	data_[P4H44C4N8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [1...	0.248	0.214	0.1264	0.1639
MP	Tb2MgS4	data_[Tb8Mg4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mg 1.3100 1.5000 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.8061] _cell_length_b [12.5280] _cell_length_c [12.9186] ...	1.383	0.02	0.3771	0.0264
MP	AlNi2BO5	data_[Al4Ni8B4O20] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [9.2740] _cell_length_b [12.098...	3.621	0.0	0.5934	0.0
MP	Ba3Nb2(P2O9)2	data_[Ba3Nb2P4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9717] _cell_length_b [9.1930]...	3.138	0.001	0.5589	0.0024
MP	RbPrSe2	data_[Rb3Pr3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.4154] _cell_length_b [4.4154] _cell_length_c [24.0930] _c...	1.9	0.0	0.4439	0.0
MP	SrGa2B2O7	data_[Sr4Ga8B8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [Cmcm] _cell_length_a [11.8509] _cell_length_b [8.438...	3.972	0.0	0.616	0.0
MP	NiH12(N3O2)2	data_[Ni2H24N12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.1774] _cell_length_b [5.7328...	0.633	0.642	0.2387	0.3474
MP	Li2Mn(SeO3)2	data_[Li6Mn3Se6O18] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.5502] _cell_length_b [5.55...	3.205	0.099	0.564	0.0922
MP	CsBa2Br5	data_[Cs4Ba8Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.1534] _cell_length_b [8.8327] _cell_length_c [14.1682...	4.669	0.0	0.656	0.0

MP

Rb2CN2

data_[Rb4C2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.1529] _cell_length_b [6.0826] _cell_length_c [6.1046] _cell_a...

2.823

0.0

0.5339

0.0

MP

Li2AgF3

data_[Li2Ag1F3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [2.9879] _cell_length_b [2.9879] _cell_length_c [8.2210] _cel...

2.054

0.036

0.4611

0.042

MP

Na2Ni3O7

data_[Na4Ni6O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.0533] _cell_length_b [7.0895] _cell_length_c [7.0909] _cell_...

1.163

0.078

0.343

0.0768

MP

UTi22Fe18PbO76

data_[U1Ti22Fe18Pb1O76] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

0.107

0.624

0.0678

0.3413

MP

SrTiN2

data_[Sr2Ti2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9016] _cell_length_b [3.9016] _cell_length_c [7.7609] _ce...

0.793

0.0

0.2745

0.0

MP

TaN

data_[Ta50N50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [10.7131] _cell_length_b [10.7995] _cell_length_c [10.8667] _cell_angle_alpha [85.5801] _cell_...

0.03

0.463

0.0252

0.2811

MP

CuCClO

data_[Cu2C2Cl2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [3.6623] _cell_length_b [8.383...

2.387

0.12

0.4949

0.1067

MP

RbFeO2

data_[Rb4Fe4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_12_12] _cell_length_a [5.9005] _cell_length_b [5.9005] _cell_length_c [8.2499] _...

2.107

0.003

0.4667

0.0058

MP

VP2O7

data_[V4P8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0767] _cell_length_b [8.1498] _cell_length_c [9.0174] _cell_...

1.331

0.106

0.3694

0.0971

MP

Ga(PbN)3

data_[Ga2Pb6N6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [10.4654] _cell_length_b [10.4654] _cell_length_c [3.6367] _...

0.139

0.32

0.0826

0.2184

MP

Ga2CoS4

data_[Ga4Co2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Co 1.8800 1.3500 0.7683 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [5.2920] _cell_length_b [5.2920] _cell_length_c [10.5137] _cell...

0.324

0.074

0.1528

0.0737

MP

Rb2ZrFe(PO4)3

data_[Rb8Zr4Fe4P12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 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_13] _cell_length...

2.431

0.154

0.4991

0.1286

MP

Cs2LaN5O17

data_[Cs8La4N20O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 La 1.1000 1.9500 1.1720 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [18.8603] _cell_length_b [9.14...

0.246

0.155

0.1257

0.1293

MP

RbCdBr3

data_[Rb4Cd4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.7377] _cell_length_b [4.3134] _cell_length_c [16.0741] _...

2.754

0.0

0.5281

0.0

MP

Ba2Ca(BO2)6

data_[Ba6Ca3B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 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 [R-3] _cell_length_a [7.2422] _cell_length_b [7.2422...

4.962

0.0

0.6712

0.0

MP

Li3Co2O5

data_[Li12Co8O20] 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 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5822] _cell_length_b [2.9198] _cell_length_c [9.7577] _c...

0.207

0.072

0.1109

0.0722

MP

Rb2AgBr3

data_[Rb8Ag4Br12] 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 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.8566] _cell_length_b [4.7245] _cell_length_c [19.1694] _...

2.667

0.0

0.5206

0.0

MP

Rb6Ti2O7

data_[Rb12Ti4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [9.9302] _cell_length_b [9.9302] _cell_length_c [9.9617] _cel...

2.179

0.031

0.4743

0.0374

MP

NaCe3GeS7

data_[Na2Ce6Ge2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.2850] _cell_length_b [10....

0.007

0.004

0.0079

0.0073

MP

LiFeF4

data_[Li4Fe4F16] 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 [I4_1/amd] _cell_length_a [6.4030] _cell_length_b [6.4030] _cell_length_c [6.8162] ...

3.213

0.105

0.5646

0.0964

MP

Cs3IO

data_[Cs6I2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 I 2.6600 1.4000 1.2733 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [8.3222] _cell_length_b [8.3222] _cell_length_c [7.3402] _ce...

1.529

0.0

0.3976

0.0

MP

LiVFeO4

data_[Li4V4Fe4O16] 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 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.8573] _cell_length_b [8.6868...

2.223

0.015

0.4788

0.021

MP

Sr7IrN6

data_[Sr28Ir4N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [11.9257] _cell_length_b [6.7087] _cell_length_c [14.1515] _...

0.09

0.13

0.0594

0.1133

MP

LiVP3(H7O8)2

data_[Li2V2P6H28O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.5...

2.574

0.038

0.5123

0.0438

MP

Li2CuPO4

data_[Li8Cu4P4O16] 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 [P1] _cell_length_a [5.3854] _cell_length_b [6.2191] ...

1.199

0.061

0.3489

0.0635

MP

SmCoC2

data_[Sm2Co2C4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [3.7083] _cell_length_b [4.5255] _cell_length_c [6.0465] _cell...

0.003

0.016

0.004

0.0221

MP

Li2AgF4

data_[Li36Ag18F72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [14.2098] _cell_length_b [14.2098] _cell_length_c [10.6894] ...

0.562

0.053

0.2213

0.0569

MP

NaCu(PO3)4

data_[Na4Cu4P16O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [Cc] _cell_length_a [9.4620] _cell_length_b [13.1041...

0.709

0.006

0.2563

0.0101

MP

Tm2MgSe4

data_[Tm8Mg4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.0341] _cell_length_b [3.9677] _cell_length_c [13.8738] ...

1.578

0.071

0.4042

0.0714

MP

CsEr(MoO4)2

data_[Cs2Er2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Er 1.2400 1.7500 1.0300 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccm] _cell_length_a [5.0883] _cell_length_b [9.62...

3.574

0.03

0.5903

0.0364

MP

Ba7B4Se13

data_[Ba28B16Se52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 B 2.0400 0.8500 0.4100 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.6704] _cell_length_b [25.5467] _cell_length_c [10.6630]...

2.186

0.0

0.475

0.0

MP

MgSnO3

data_[Mg1Sn1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.0252] _cell_length_b [4.0252] _cell_length_c [4.0252] _cel...

1.308

0.63

0.3659

0.3433

MP

CeSe2

data_[Ce8Se16] 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 [C222_1] _cell_length_a [12.7142] _cell_length_b [14.4095] _cell_length_c [7.9354] _cell_angle_alpha [90.0000] _c...

0.964

0.531

0.3083

0.3076

MP

Na2Ti9O19

data_[Na4Ti18O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2919] _cell_length_b [3.8090] _cell_length_c [15.7982] _...

2.195

0.035

0.4759

0.0411

MP

MnI2

data_[Mn1I2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1644] _cell_length_b [4.1644] _cell_length_c [7.6487] _cell_angle_alpha [90.0000] _cell_an...

1.171

0.0

0.3444

0.0

MP

Ce(SeO3)2

data_[Ce4Se8O24] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1553] _cell_length_b [10.8561] _cell_length_c [8.7504] _...

1.267

0.0

0.3596

0.0

MP

CsBa(BO2)3

data_[Cs6Ba6B18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [12.6993] _cell_length_b [12.6...

4.042

0.003

0.6203

0.0058

MP

LiMnF4

data_[Li2Mn2F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.0761] _cell_length_b [5.3278] _cell_length_c [6.3304] _cell_...

2.26

0.042

0.4825

0.0474

MP

KZnAs

data_[K1Zn1As1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.2612] _cell_length_b [4.2612] _cell_length_c [5.2595] _cel...

0.199

0.009

0.1078

0.014

MP

Ti3VCu2(PO4)6

data_[Ti9V3Cu6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 V 1.6300 1.3500 0.7775 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 [8...

0.057

0.016

0.0417

0.0221

MP

Ba(TaN2)2

data_[Ba12Ta24N48] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [11.3141] _cell_length_b [11.3141] _cell_length_c [11.3141]...

2.658

0.0

0.5198

0.0

MP

K2Mn3V2(HO5)2

data_[K4Mn6V4H4O20] 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 V 1.6300 1.3500 0.7775 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15...

1.96

0.0

0.4507

0.0

MP

Mg3Al2(SiO4)3

data_[Mg24Al16Si24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [11.5712] _cell_length_b ...

5.118

0.039

0.679

0.0447

MP

Li2MnFe(PO4)2

data_[Li4Mn2Fe2P4O16] 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 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...

3.984

0.001

0.6168

0.0024

MP

K4Gd2C3O9F4

data_[K8Gd4C6O18F8] 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 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [10.6...

2.703

0.012

0.5237

0.0176

MP

CdTeMoO6

data_[Cd2Te2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [5.3616] _cell_length_b [5...

3.189

0.0

0.5628

0.0

MP

DyTlO2

data_[Dy3Tl3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Tl 1.6200 1.9000 1.3325 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.5040] _cell_length_b [3.5040] _cell_length_c [19.5408] _cel...

1.482

0.099

0.3912

0.0922

MP

Cs2Ni(PS3)2

data_[Cs4Ni2P4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 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 [5.9456] _cell_length_b [12.9...

0.252

0.023

0.1279

0.0295

MP

Rb2MnV2O7

data_[Rb8Mn4V8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 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 [P4_2/mnm] _cell_length_a [8.7582] _cell_length_b [8....

2.601

0.0

0.5147

0.0

MP

Sn2N2O

data_[Sn16N16O8] 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 [P1] _cell_length_a [8.8189] _cell_length_b [8.8284] _cell_length_c [8.8323] _cell_a...

0.714

0.063

0.2574

0.0651

MP

Li14MgSi4

data_[Li56Mg4Si16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [10.6541] _cell_length_b [10.6541] _cell_length_c [10.631...

0.099

0.0

0.0639

0.0

MP

CaZrSi3H4O11

data_[Ca4Zr4Si12H16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zr 1.3300 1.5500 0.8600 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnna] _cell_length...

4.672

0.024

0.6562

0.0305

MP

Cs3LaO3

data_[Cs12La4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.2147] _cell_length_b [13.2634] _cell_length_c [7.8345] _c...

1.742

0.037

0.4251

0.0429

MP

ErTlTe2

data_[Er3Tl3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.4400] _cell_length_b [4.4400] _cell_length_c [24.5824] _c...

0.821

0.0

0.2803

0.0

MP

Li2VF4

data_[Li8V4F16] 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 [Imma] _cell_length_a [6.0045] _cell_length_b [6.2798] _cell_length_c [8.5426] _cell_...

2.844

0.023

0.5356

0.0295

MP

CsB6H8O7

data_[Cs4B24H32O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 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_1/c] _cell_length_a [8.6059] _cell_length_b [7.38...

2.008

0.281

0.456

0.1993

MP

SrC3O7

data_[Sr4C12O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.3823] _cell_length_b [17.1068] _cell_length_c [9.2892] _c...

0.533

0.36

0.2138

0.237

MP

Y2Zr2O7

data_[Y8Zr8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [7.8928] _cell_length_b [5.5462] _cell_length_c [13.8606] _cell...

4.069

0.064

0.622

0.0659

MP

MgO2

data_[Mg4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [3.2442] _cell_length_b [6.3540] _cell_length_c [6.8360] _cell_angle_alpha [88.4019] _cell_angl...

0.413

0.373

0.1805

0.2429

MP

BaLa4Ti4O15

data_[Ba2La8Ti8O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [5.6297] _cell_length_b [5.6...

2.605

0.043

0.5151

0.0483

MP

TiAlFeCo

data_[Ti4Al4Fe4Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.8097] _cell_length_b [5....

0.125

0.0

0.0763

0.0

MP

Rb7NaZn2O6

data_[Rb14Na2Zn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.2095] _cell_length_b [9.59...

1.571

0.0

0.4032

0.0

MP

KMoCl4O

data_[K8Mo8Cl32O8] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8823] _cell_length_b [9.29...

2.803

0.022

0.5322

0.0285

MP

Sr3(SiAs2)2

data_[Sr12Si8As16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.2966] _cell_length_b [17.0022] _cell_length_c [7.4564] ...

0.918

0.0

0.2996

0.0

MP

LiCr6P7O24

data_[Li2Cr12P14O48] 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/m] _cell_length_a [5.4389] _cell_length_b [27...

2.38

0.022

0.4943

0.0285

MP

CoBr2

data_[Co1Br2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [3.7379] _cell_length_b [3.7379] _cell_length_c [6.9066] _cell_angle_alpha [90.0000] _cell_...

0.107

0.0

0.0678

0.0

MP

TlBiTe2

data_[Tl3Bi3Te6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.5928] _cell_length_b [4.5928] _cell_length_c [24.0146] _c...

0.468

0.0

0.1963

0.0

MP

PH3CS3

data_[P4H12C4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9065] _cell_length_b [8.4401]...

2.151

0.021

0.4714

0.0275

MP

Li2AlVO4

data_[Li4Al2V2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [6.3616] _cell_length_b [5.582...

2.328

0.096

0.4892

0.09

MP

Li10Ti2Mn3Ni3O16

data_[Li10Ti2Mn3Ni3O16] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_...

0.429

0.097

0.1852

0.0907

MP

CeTh4O10

data_[Ce2Th8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Th 1.3000 1.8000 1.0800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9537] _cell_length_b [3.9537] _cell_length_c [27.9414] _...

1.433

0.0

0.3843

0.0

MP

Tb4F15

data_[Tb24F90] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [13.0829] _cell_length_b [13.0829] _cell_length_c [12.3810] _cell_angle_alpha [90.0000] _cel...

0.0

0.037

0.0

0.0429

MP

NaCe(CO3)2

data_[Na2Ce2C4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [5.1995] _cell_length_b [6.44...

0.284

0.0

0.1393

0.0

MP

K6Sb2H18S8O9

data_[K12Sb4H36S16O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sb 2.0500 1.4500 0.8300 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 [P2_1] _cell_length_a ...

2.047

0.482

0.4603

0.2887

MP

CaLaMnMoO6

data_[Ca2La2Mn2Mo2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a...

1.387

0.066

0.3777

0.0675

MP

Pm2MgSe4

data_[Pm8Mg4Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pm 1.1300 1.8500 1.1100 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.7293] _cell_length_b [8.7293] _cell_length_c [9.1557] _...

1.606

0.08

0.4079

0.0783

MP

Na2TlAs

data_[Na4Tl2As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tl 1.6200 1.9000 1.3325 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [12.2805] _cell_length_b [13.2229] _cell_length_c [18.8875] ...

0.016

1.184

0.0153

0.4997

MP

K2MnCl6

data_[K8Mn4Cl24] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.9046] _cell_length_b [9.9046] _cell_length_c [9.9046] _ce...

1.1

0.0

0.3325

0.0

MP

Tm2S3

data_[Tm8S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.8992] _cell_length_b [3.8865] _cell_length_c [11.1548] _cell_angle_alpha [90.0000] _cel...

1.183

0.022

0.3463

0.0285

MP

Rb2Zn2(MoO4)3

data_[Rb8Zn8Mo12O48] 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 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 [7.1919] _cell_length_b [9...

3.595

0.002

0.5917

0.0042

MP

LiSbAu2

data_[Li2Sb2Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.3681] _cell_length_b [11.1642] _cell_length_c [15.7829] ...

1.011

1.287

0.3169

0.5232

MP

Gd2MnCoO6

data_[Gd4Mn2Co2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 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 [P2_1/c] _cell_length_a [5.3256] _cell_length_b [5....

0.918

0.0

0.2996

0.0

MP

Pb2CBr2O3

data_[Pb8C4Br8O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 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 [P4/mbm] _cell_length_a [8.4797] _cell_length_b [8.47...

2.785

0.005

0.5307

0.0088

MP

Ti3MnSn2(PO4)6

data_[Ti9Mn3Sn6P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...

1.304

0.009

0.3653

0.014

MP

Ba2MgGe2O7

data_[Ba4Mg2Ge4O14] 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 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-42_1m] _cell_length_a [8.4979] _cell_length_b [8...

3.626

0.0

0.5938

0.0

MP

RbPrO2

data_[Rb3Pr3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.7083] _cell_length_b [3.7083] _cell_length_c [19.8027] _cel...

3.398

0.0

0.578

0.0

MP

Li6NiOF6

data_[Li12Ni2O2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [2.9788] _cell_length_b [3.995...

1.941

0.088

0.4486

0.0842

MP

Sr4Nb2O9

data_[Sr8Nb4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.9327] _cell_length_b [5.9604] _cell_length_c [15.8119] _cel...

3.567

0.002

0.5898

0.0042

MP

Li7Mn3(WO8)2

data_[Li14Mn6W4O32] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.2584] _cell_length_b [5.8621...

0.101

0.077

0.0649

0.076

MP

Li3FeOF3

data_[Li12Fe4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [5.9533] _cell_length_b [8.633...

3.513

0.096

0.5861

0.09

MP

Ba3(AlP2)2

data_[Ba12Al8P16] 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 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.3727] _cell_length_b [11.6672] _cell_length_c [11.7016] _...

1.282

0.0

0.362

0.0

MP

PH11C(NO2)2

data_[P4H44C4N8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [1...

0.248

0.214

0.1264

0.1639

MP

Tb2MgS4

data_[Tb8Mg4S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Mg 1.3100 1.5000 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.8061] _cell_length_b [12.5280] _cell_length_c [12.9186] ...

1.383

0.02

0.3771

0.0264

MP

AlNi2BO5

data_[Al4Ni8B4O20] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [9.2740] _cell_length_b [12.098...

3.621

0.0

0.5934

0.0

MP

Ba3Nb2(P2O9)2

data_[Ba3Nb2P4O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nb 1.6000 1.4500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9717] _cell_length_b [9.1930]...

3.138

0.001

0.5589

0.0024

MP

RbPrSe2

data_[Rb3Pr3Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pr 1.1300 1.8500 1.0600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.4154] _cell_length_b [4.4154] _cell_length_c [24.0930] _c...

1.9

0.0

0.4439

0.0

MP

SrGa2B2O7

data_[Sr4Ga8B8O28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 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 [Cmcm] _cell_length_a [11.8509] _cell_length_b [8.438...

3.972

0.0

0.616

0.0

MP

NiH12(N3O2)2

data_[Ni2H24N12O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.1774] _cell_length_b [5.7328...

0.633

0.642

0.2387

0.3474

MP

Li2Mn(SeO3)2

data_[Li6Mn3Se6O18] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.5502] _cell_length_b [5.55...

3.205

0.099

0.564

0.0922

MP

CsBa2Br5

data_[Cs4Ba8Br20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ba 0.8900 2.1500 1.4900 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.1534] _cell_length_b [8.8327] _cell_length_c [14.1682...

4.669

0.0

0.656

0.0