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	Na2PbO3	data_[Na16Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.8132] _cell_length_b [10.0817] _cell_length_c [11.3583] _...	1.25	0.0	0.357	0.0
MP	PrErS3	data_[Pr8Er8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.0504] _cell_length_b [3.9755] _cell_length_c [21.5871] ...	0.639	0.0	0.2402	0.0
MP	HW2C9NO10	data_[H4W8C36N4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 W 2.3600 1.3500 0.7667 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 [C2] _cell_length_a [14.99...	0.164	0.606	0.0935	0.335
MP	Nd2Te4O11	data_[Nd8Te16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.7703] _cell_length_b [5.3034] _cell_length_c [16.6626] _...	3.292	0.0	0.5704	0.0
MP	Li4VP2O9	data_[Li16V4P8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.8549] _cell_length_b [13.7704...	1.399	0.084	0.3794	0.0813
MP	Li2InFe(P2O7)2	data_[Li2In1Fe1P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 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 [P1] _cell_length_a [...	2.743	0.0	0.5271	0.0
MP	Li4Mn5O10	data_[Li4Mn5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1938] _cell_length_b [5.2362] _cell_length_c [7.9875] _cell_...	0.72	0.07	0.2588	0.0706
MP	Na4Sn(GeS3)2	data_[Na8Sn2Ge4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.9522] _cell_length_b [11.937...	1.867	0.0	0.4401	0.0
MP	GaSiC4N	data_[Ga16Si16C64N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.7113] _cell_length_b [10...	0.685	1.041	0.2509	0.4648
MP	LiLa7(CuO7)2	data_[Li8La56Cu16O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.1564] _cell_length_b [...	0.029	0.04	0.0246	0.0456
MP	LiMg14BO15	data_[Li1Mg14B1O15] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [4.2861] _cell_length_b [8.400...	2.162	0.199	0.4725	0.1555
MP	ZrH36C16(NO4)4	data_[Zr2H72C32N8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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] _cell_length_a [...	3.783	0.154	0.6041	0.1286
MP	Mg(FeO2)2	data_[Mg4Fe8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_122] _cell_length_a [5.9122] _cell_length_b [5.9122] _cell_length_c [8.3662] _c...	1.628	0.142	0.4107	0.1211
MP	ZnTeH12Se3N4	data_[Zn4Te4H48Se12N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_leng...	1.676	0.0	0.4169	0.0
MP	Cs4HfO4	data_[Cs16Hf4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.9760] _cell_length_b [7.4652] _cell_length_c [11.8994]...	2.74	0.0	0.5269	0.0
MP	Ni3(PO4)2	data_[Ni12P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.7009] _cell_length_b [11.1156] _cell_length_c [6.1064] _c...	3.391	0.038	0.5775	0.0438
MP	Pr3Si2BO10	data_[Pr24Si16B8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.2221] _cell_length_b [23.3...	4.712	0.0	0.6583	0.0
MP	Li3MnSi2O7	data_[Li18Mn6Si12O42] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [8.5374] _cell_length_b [13...	0.921	0.058	0.3001	0.061
MP	SiO2	data_[Si3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_222] _cell_length_a [5.1062] _cell_length_b [5.1062] _cell_length_c [5.5905] _cell_angle_alpha [90.0000] _cell_a...	5.531	0.009	0.6985	0.014
MP	Te3WO12	data_[Te3W1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [4.9863] _cell_length_b [8.5399] _cell_length_c [5.2389] _cell_an...	1.64	0.052	0.4123	0.056
MP	CuC32(NF2)8	data_[Cu1C32N8F16] 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 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9255] _cell_length_b [10.3164]...	0.764	0.244	0.2683	0.1802
MP	ZrFeTe	data_[Zr4Fe4Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.1229] _cell_length_b [6.1229] _cell_length_c [6.1229] _c...	1.156	0.067	0.3419	0.0682
MP	Cu3WO6	data_[Cu24W8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.9184] _cell_length_b [9.9184] _cell_length_c [9.9184] _cell...	0.0	0.084	0.0	0.0813
MP	LiTiP2O7	data_[Li2Ti2P4O14] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.9486] _cell_length_b [8.2881...	0.17	0.054	0.096	0.0577
MP	Na2Ge2O5	data_[Na8Ge8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.6125] _cell_length_b [5.0870] _cell_length_c [16.3086] _ce...	3.283	0.021	0.5698	0.0275
MP	KMgPO4	data_[K8Mg8P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 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 [8.6652] _cell_length_b [5.1475...	4.779	0.0	0.6618	0.0
MP	KNaNbOF5	data_[K4Na4Nb4O4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a...	4.382	0.0	0.6403	0.0
MP	La3SiAgS7	data_[La6Si2Ag2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.4935] _cell_length_b [10....	1.966	0.0	0.4514	0.0
MP	Rb4Pb9	data_[Rb16Pb36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.2030] _cell_length_b [13.7088] _cell_length_c [16.6466] _cell_angle_alpha [90.0000] ...	0.391	0.0	0.1739	0.0
MP	ZnCu2PO9	data_[Zn4Cu8P4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [P2_1/c] _cell_length_a [7.1739] _cell_length_b [9.79...	0.159	0.487	0.0913	0.2907
MP	Ca2Bi10O17	data_[Ca2Bi10O17] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.7649] _cell_length_b [7.8832] _cell_length_c [9.7875] _cell...	1.548	0.065	0.4002	0.0667
MP	AsSe	data_[As16Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0993] _cell_length_b [14.5890] _cell_length_c [10.5534] _cell_angle_alpha [90.0000] _...	1.368	0.0	0.3749	0.0
MP	TlRe6Se8Cl3	data_[Tl2Re12Se16Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Re 1.9000 1.3500 0.7125 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.2072] _cell_length_b [9....	1.435	0.0	0.3846	0.0
MP	Ho12Si5S28	data_[Ho12Si5S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.7677] _cell_length_b [11.3067] _cell_length_c [11.3111] _ce...	1.702	0.027	0.4201	0.0335
MP	Li2Mg11(WO4)12	data_[Li4Mg22W24O96] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [10.5134] _cell_length_b [10.79...	3.429	0.1	0.5802	0.0929
MP	Sm2Hf2O7	data_[Sm16Hf16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6302] _cell_length_b [10.6302] _cell_length_c [10.6302...	3.843	0.0	0.6079	0.0
MP	Ca2GdTaO6	data_[Ca4Gd2Ta2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Gd 1.2000 1.8000 1.0750 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6472] _cell_length_b [5....	3.595	0.016	0.5917	0.0221
MP	GdPS	data_[Gd8P8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.4354] _cell_length_b [5.3705] _cell_length_c [16.8337] _cell_...	0.273	0.0	0.1354	0.0
MP	Na6MgO4	data_[Na12Mg2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [7.6636] _cell_length_b [7.6636] _cell_length_c [5.9257] _c...	2.099	0.011	0.4659	0.0164
MP	Li2CrPO4F	data_[Li16Cr8P8O32F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	2.633	0.027	0.5176	0.0335
MP	Cs4Hf3Se14	data_[Cs16Hf12Se56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [23.1737] _cell_length_b [9.1469] _cell_length_c [15.0457...	1.689	0.0	0.4185	0.0
MP	Li2Ni3OF6	data_[Li4Ni6O2F12] 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 [P-1] _cell_length_a [6.0590] _cell_length_b [6.5067]...	3.676	0.178	0.5971	0.1432
MP	Cs2Bi8Se13	data_[Cs4Bi16Se26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [14.1473] _cell_length_b [4.2260] _cell_length_c [25.388...	0.679	0.01	0.2495	0.0152
MP	NdOF	data_[Nd4O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.6544] _cell_length_b [5.6544] _cell_length_c [5.6544] _cell_...	5.262	0.054	0.6859	0.0577
MP	Y3Ga5O12	data_[Y24Ga40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.4311] _cell_length_b [12.4311] _cell_length_c [12.4311] ...	3.55	0.0	0.5886	0.0
MP	TaAs2	data_[Ta4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.4399] _cell_length_b [3.4259] _cell_length_c [7.8478] _cell_angle_alpha [90.0000] _cell_a...	0.013	0.0	0.013	0.0
MP	BaV2TeO8	data_[Ba4V8Te4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8973] _cell_length_b [5.69...	2.694	0.0	0.5229	0.0
MP	Na2Cr2O7	data_[Na4Cr4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0490] _cell_length_b [7.1159] _cell_length_c [7.3407] _cell...	2.618	0.005	0.5162	0.0088
MP	K2NaAlF6	data_[K8Na4Al4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2535] _cell_length_b [8.253...	6.858	0.0	0.7531	0.0
MP	LiV4CuO12	data_[Li1V4Cu1O12] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0038] _cell_length_b [5.3894] ...	0.363	0.086	0.1653	0.0827
MP	ZnBi6P2(O7F)2	data_[Zn4Bi24P8O56F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a ...	2.523	0.086	0.5077	0.0827
MP	CsNd2Ti2NbO10	data_[Cs2Nd4Ti4Nb2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...	1.576	0.046	0.4039	0.0509
MP	LiAlVO4	data_[Li4Al4V4O16] 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 [Pnma] _cell_length_a [9.4356] _cell_length_b [2.9160...	1.526	0.059	0.3972	0.0618
MP	Li2VSiCO7	data_[Li4V2Si2C2O14] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	1.88	0.075	0.4416	0.0745
MP	Na2Te2H4O7	data_[Na4Te4H8O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7412] _cell_length_b [6.3339]...	3.737	0.0	0.6011	0.0
MP	KMg30WO32	data_[K1Mg30W1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6182] _cell_length_b [8.618...	2.961	0.077	0.5451	0.076
MP	ScCl3	data_[Sc6Cl18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.4932] _cell_length_b [6.4932] _cell_length_c [19.3248] _cell_angle_alpha [90.0000] _cell_...	3.872	0.0	0.6098	0.0
MP	LiMgAs	data_[Li4Mg4As4] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2134] _cell_length_b [6.2134] _cell_length_c [6.2134] _c...	1.372	0.0	0.3755	0.0
MP	CsUVO6	data_[Cs4U4V4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 U 1.3800 1.7500 0.9913 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8396] _cell_length_b [8.4954...	1.946	0.0	0.4491	0.0
MP	UP2H6CO10	data_[U4P8H24C4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [1...	0.454	0.344	0.1923	0.2297
MP	TaClF8	data_[Ta4Cl4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pcca] _cell_length_a [10.1060] _cell_length_b [5.9959] _cell_length_c [11.0048] _c...	3.122	0.0	0.5577	0.0
MP	BaCaCo4O7	data_[Ba4Ca4Co16O28] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.1031] _cell_length_b [...	0.843	0.538	0.2848	0.3103
MP	K2La4O7	data_[K2La4O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.3799] _cell_length_b [6.3799] _cell_length_c [7.7489] _cell_...	2.718	0.135	0.525	0.1166
MP	Gd3Sc2Al3O12	data_[Gd24Sc16Al24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.5260] _cell_length_b ...	3.288	0.0	0.5701	0.0
MP	NdF3	data_[Nd6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [7.0882] _cell_length_b [7.0882] _cell_length_c [7.2767] _cell_angle_alpha [90.0000] _cell_a...	7.616	0.0	0.7799	0.0
MP	Na5CoHO4	data_[Na40Co8H8O32] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9841] _cell_length_b [10.12...	1.419	0.005	0.3823	0.0088
MP	Mg30MnZnO32	data_[Mg30Mn1Zn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5408] _cell_length_b [8...	2.779	0.009	0.5302	0.014
MP	Li2MnV3O8	data_[Li12Mn6V18O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [5.9677] _cell_length_b [5.967...	1.723	0.019	0.4227	0.0254
MP	Ca7(VN3)3	data_[Ca14V6N18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.0780] _cell_length_b [9.9982] _cell_length_c [9.0308] _ce...	0.295	0.024	0.143	0.0305
MP	VPO5	data_[V2P2O10] 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 [P4/nmm] _cell_length_a [6.2516] _cell_length_b [6.2516] _cell_length_c [4.6598] _cell_...	1.418	0.022	0.3821	0.0285
MP	C28Cl5	data_[C224Cl40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [18.8737] _cell_length_b [13.5023] _cell_length_c [13.9496] _cell_angle_alpha [90.0000] _ce...	1.354	0.286	0.3728	0.2019
MP	BI3	data_[B2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [7.4024] _cell_length_b [7.4024] _cell_length_c [8.8347] _cell_angle_alpha [90.0000] _cell_ang...	2.69	0.0	0.5226	0.0
MP	LiMnPO4	data_[Li4Mn4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.7042] _cell_length_b [5.1524] ...	3.575	0.016	0.5903	0.0221
MP	Ce10Se14O	data_[Ce80Se112O8] 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 [I4_1/acd] _cell_length_a [15.7198] _cell_length_b [15.7198] _cell_length_c [20.7...	0.009	0.008	0.0097	0.0128
MP	Li4Mn3SbO8	data_[Li16Mn12Sb4O32] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.4505] _cell_length_b [6...	0.78	0.045	0.2718	0.0501
MP	Li2VF6	data_[Li8V4F24] 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 [Pna2_1] _cell_length_a [9.7862] _cell_length_b [8.6875] _cell_length_c [5.0565] _cel...	2.087	0.025	0.4646	0.0315
MP	Li2Ti2S5	data_[Li8Ti8S20] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.5505] _cell_length_b [6.2265] _cell_length_c [11.9177] _c...	1.205	0.07	0.3499	0.0706
MP	AgGe2N3	data_[Ag4Ge8N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [9.8945] _cell_length_b [5.8289] _cell_length_c [5.2504] _c...	0.565	0.169	0.222	0.1378
MP	USb2F15	data_[U4Sb8F60] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.5328] _cell_length_b [15.9034] _cell_length_c [10.4912] _c...	0.317	0.06	0.1505	0.0626
MP	K3ErSi2O7	data_[K18Er6Si12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [9.9090] _cell_length_b [...	3.737	0.0	0.6011	0.0
MP	PSe	data_[P16Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.3593] _cell_length_b [7.4394] _cell_length_c [12.7792] _cell_angle_alpha [90.0000] _ce...	2.267	0.0	0.4832	0.0
MP	Y2TcPd	data_[Y4Tc2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tc 1.9000 1.3500 0.7417 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.7693] _cell_length_b [11.6977] _cell_length_c [16.5438] _ce...	0.249	2.833	0.1268	0.7712
MP	Li4Mn3O5F3	data_[Li8Mn6O10F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [13.1442] _cell_length_b [2.9330]...	0.707	0.095	0.2559	0.0893
MP	Fe(BO2)2	data_[Fe8B16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [7.2377] _cell_length_b [7.5347] _cell_length_c [8.7207] _ce...	4.026	0.137	0.6193	0.1179
MP	Cs3CdH5	data_[Cs12Cd4H20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.5766] _cell_length_b [8.5766] _cell_length_c [12.7416] ...	2.722	0.0	0.5253	0.0
MP	Gd3As5O12	data_[Gd12As20O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [10.7441] _cell_length_b [10.7441] _cell_length_c [10.7441...	2.387	0.0	0.4949	0.0
MP	Ba2V4Cd3O15	data_[Ba8V16Cd12O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.3363] _cell_length_b...	2.909	0.0	0.5409	0.0
MP	Lu2CdSe4	data_[Lu16Cd8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Cd 1.6900 1.5500 1.0900 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [11.6429] _cell_length_b [11.6429] _cell_length_c [11.642...	0.703	0.003	0.255	0.0058
MP	CeSe2	data_[Ce16Se32] 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 [Fddd] _cell_length_a [7.9848] _cell_length_b [16.0027] _cell_length_c [24.7949] _cell_angle_alpha [90.0000] _ce...	1.008	0.541	0.3163	0.3114
MP	KDy2Cl7	data_[K4Dy8Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Dy 1.2200 1.7500 1.1310 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9629] _cell_length_b [12.6333] _cell_length_c [13.4341] ...	4.673	0.0	0.6562	0.0
MP	Sr2LiBeB3O8	data_[Sr8Li4Be4B12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...	4.937	0.0	0.67	0.0
MP	BP2Pb2O9	data_[B4P8Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6437] _cell_length_b [8.3141...	0.023	0.063	0.0205	0.0651
MP	Ag3Sn2(GeP2)3	data_[Ag12Sn8Ge12P24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [10.6264] _cell_length_b [...	0.215	0.0	0.114	0.0
MP	LiMnAlO4	data_[Li4Mn4Al4O16] 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 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_322] _cell_length_a [5.7484] _cell_length_b [5....	1.632	0.062	0.4112	0.0643
MP	SrCr9Ga3O19	data_[Sr2Cr18Ga6O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.9125] _cell_length_b [5...	1.967	0.002	0.4515	0.0042
MP	LiCr2P3O13	data_[Li4Cr8P12O52] 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 [6.1804] _cell_length_b [21....	1.148	0.089	0.3406	0.0849
MP	Na3FeO4	data_[Na6Fe2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.0705] _cell_length_b [5.5293] _cell_length_c [7.3112] _cell...	0.713	0.045	0.2572	0.0501
MP	Na3Mg2(MoO4)3	data_[Na12Mg8Mo12O48] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.3855] _cell_length_b [1...	1.172	0.047	0.3445	0.0518
MP	CsSb	data_[Cs16Sb16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [15.6261] _cell_length_b [7.5434] _cell_length_c [14.5625] _cell_angle_alpha [90.0000] _...	0.522	0.0	0.2109	0.0
MP	ZrI4	data_[Zr4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.6501] _cell_length_b [8.7210] _cell_length_c [27.5924] _cell_angle_alpha [89.5824] _cell_an...	2.076	0.048	0.4634	0.0526

MP

Na2PbO3

data_[Na16Pb8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [5.8132] _cell_length_b [10.0817] _cell_length_c [11.3583] _...

1.25

0.0

0.357

0.0

MP

PrErS3

data_[Pr8Er8S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Er 1.2400 1.7500 1.0300 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [11.0504] _cell_length_b [3.9755] _cell_length_c [21.5871] ...

0.639

0.0

0.2402

0.0

MP

HW2C9NO10

data_[H4W8C36N4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 W 2.3600 1.3500 0.7667 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 [C2] _cell_length_a [14.99...

0.164

0.606

0.0935

0.335

MP

Nd2Te4O11

data_[Nd8Te16O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.7703] _cell_length_b [5.3034] _cell_length_c [16.6626] _...

3.292

0.0

0.5704

0.0

MP

Li4VP2O9

data_[Li16V4P8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 V 1.6300 1.3500 0.7775 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.8549] _cell_length_b [13.7704...

1.399

0.084

0.3794

0.0813

MP

Li2InFe(P2O7)2

data_[Li2In1Fe1P4O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 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 [P1] _cell_length_a [...

2.743

0.0

0.5271

0.0

MP

Li4Mn5O10

data_[Li4Mn5O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.1938] _cell_length_b [5.2362] _cell_length_c [7.9875] _cell_...

0.72

0.07

0.2588

0.0706

MP

Na4Sn(GeS3)2

data_[Na8Sn2Ge4S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [6.9522] _cell_length_b [11.937...

1.867

0.0

0.4401

0.0

MP

GaSiC4N

data_[Ga16Si16C64N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.7113] _cell_length_b [10...

0.685

1.041

0.2509

0.4648

MP

LiLa7(CuO7)2

data_[Li8La56Cu16O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [19.1564] _cell_length_b [...

0.029

0.04

0.0246

0.0456

MP

LiMg14BO15

data_[Li1Mg14B1O15] 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 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [4.2861] _cell_length_b [8.400...

2.162

0.199

0.4725

0.1555

MP

ZrH36C16(NO4)4

data_[Zr2H72C32N8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 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] _cell_length_a [...

3.783

0.154

0.6041

0.1286

MP

Mg(FeO2)2

data_[Mg4Fe8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_122] _cell_length_a [5.9122] _cell_length_b [5.9122] _cell_length_c [8.3662] _c...

1.628

0.142

0.4107

0.1211

MP

ZnTeH12Se3N4

data_[Zn4Te4H48Se12N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 Se 2.5500 1.1500 1.0133 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_leng...

1.676

0.0

0.4169

0.0

MP

Cs4HfO4

data_[Cs16Hf4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.9760] _cell_length_b [7.4652] _cell_length_c [11.8994]...

2.74

0.0

0.5269

0.0

MP

Ni3(PO4)2

data_[Ni12P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.7009] _cell_length_b [11.1156] _cell_length_c [6.1064] _c...

3.391

0.038

0.5775

0.0438

MP

Pr3Si2BO10

data_[Pr24Si16B8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Si 1.9000 1.1000 0.5400 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [7.2221] _cell_length_b [23.3...

4.712

0.0

0.6583

0.0

MP

Li3MnSi2O7

data_[Li18Mn6Si12O42] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [8.5374] _cell_length_b [13...

0.921

0.058

0.3001

0.061

MP

SiO2

data_[Si3O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_222] _cell_length_a [5.1062] _cell_length_b [5.1062] _cell_length_c [5.5905] _cell_angle_alpha [90.0000] _cell_a...

5.531

0.009

0.6985

0.014

MP

Te3WO12

data_[Te3W1O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Te 2.1000 1.4000 1.2933 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2] _cell_length_a [4.9863] _cell_length_b [8.5399] _cell_length_c [5.2389] _cell_an...

1.64

0.052

0.4123

0.056

MP

CuC32(NF2)8

data_[Cu1C32N8F16] 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 N 3.0400 0.6500 0.6300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9255] _cell_length_b [10.3164]...

0.764

0.244

0.2683

0.1802

MP

ZrFeTe

data_[Zr4Fe4Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Fe 1.8300 1.4000 0.8525 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.1229] _cell_length_b [6.1229] _cell_length_c [6.1229] _c...

1.156

0.067

0.3419

0.0682

MP

Cu3WO6

data_[Cu24W8O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [9.9184] _cell_length_b [9.9184] _cell_length_c [9.9184] _cell...

0.0

0.084

0.0

0.0813

MP

LiTiP2O7

data_[Li2Ti2P4O14] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [4.9486] _cell_length_b [8.2881...

0.17

0.054

0.096

0.0577

MP

Na2Ge2O5

data_[Na8Ge8O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [6.6125] _cell_length_b [5.0870] _cell_length_c [16.3086] _ce...

3.283

0.021

0.5698

0.0275

MP

KMgPO4

data_[K8Mg8P8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 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 [8.6652] _cell_length_b [5.1475...

4.779

0.0

0.6618

0.0

MP

KNaNbOF5

data_[K4Na4Nb4O4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a...

4.382

0.0

0.6403

0.0

MP

La3SiAgS7

data_[La6Si2Ag2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Si 1.9000 1.1000 0.5400 Ag 1.9300 1.6000 1.0867 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3] _cell_length_a [10.4935] _cell_length_b [10....

1.966

0.0

0.4514

0.0

MP

Rb4Pb9

data_[Rb16Pb36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [10.2030] _cell_length_b [13.7088] _cell_length_c [16.6466] _cell_angle_alpha [90.0000] ...

0.391

0.0

0.1739

0.0

MP

ZnCu2PO9

data_[Zn4Cu8P4O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 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 [P2_1/c] _cell_length_a [7.1739] _cell_length_b [9.79...

0.159

0.487

0.0913

0.2907

MP

Ca2Bi10O17

data_[Ca2Bi10O17] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.7649] _cell_length_b [7.8832] _cell_length_c [9.7875] _cell...

1.548

0.065

0.4002

0.0667

MP

AsSe

data_[As16Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.0993] _cell_length_b [14.5890] _cell_length_c [10.5534] _cell_angle_alpha [90.0000] _...

1.368

0.0

0.3749

0.0

MP

TlRe6Se8Cl3

data_[Tl2Re12Se16Cl6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Re 1.9000 1.3500 0.7125 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [9.2072] _cell_length_b [9....

1.435

0.0

0.3846

0.0

MP

Ho12Si5S28

data_[Ho12Si5S28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.7677] _cell_length_b [11.3067] _cell_length_c [11.3111] _ce...

1.702

0.027

0.4201

0.0335

MP

Li2Mg11(WO4)12

data_[Li4Mg22W24O96] 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 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [10.5134] _cell_length_b [10.79...

3.429

0.1

0.5802

0.0929

MP

Sm2Hf2O7

data_[Sm16Hf16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.6302] _cell_length_b [10.6302] _cell_length_c [10.6302...

3.843

0.0

0.6079

0.0

MP

Ca2GdTaO6

data_[Ca4Gd2Ta2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Gd 1.2000 1.8000 1.0750 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6472] _cell_length_b [5....

3.595

0.016

0.5917

0.0221

MP

GdPS

data_[Gd8P8S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 P 2.1900 1.0000 0.5500 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.4354] _cell_length_b [5.3705] _cell_length_c [16.8337] _cell_...

0.273

0.0

0.1354

0.0

MP

Na6MgO4

data_[Na12Mg2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [7.6636] _cell_length_b [7.6636] _cell_length_c [5.9257] _c...

2.099

0.011

0.4659

0.0164

MP

Li2CrPO4F

data_[Li16Cr8P8O32F8] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

2.633

0.027

0.5176

0.0335

MP

Cs4Hf3Se14

data_[Cs16Hf12Se56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Hf 1.3000 1.5500 0.8500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [23.1737] _cell_length_b [9.1469] _cell_length_c [15.0457...

1.689

0.0

0.4185

0.0

MP

Li2Ni3OF6

data_[Li4Ni6O2F12] 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 [P-1] _cell_length_a [6.0590] _cell_length_b [6.5067]...

3.676

0.178

0.5971

0.1432

MP

Cs2Bi8Se13

data_[Cs4Bi16Se26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [14.1473] _cell_length_b [4.2260] _cell_length_c [25.388...

0.679

0.01

0.2495

0.0152

MP

NdOF

data_[Nd4O4F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.6544] _cell_length_b [5.6544] _cell_length_c [5.6544] _cell_...

5.262

0.054

0.6859

0.0577

MP

Y3Ga5O12

data_[Y24Ga40O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.4311] _cell_length_b [12.4311] _cell_length_c [12.4311] ...

3.55

0.0

0.5886

0.0

MP

TaAs2

data_[Ta4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [9.4399] _cell_length_b [3.4259] _cell_length_c [7.8478] _cell_angle_alpha [90.0000] _cell_a...

0.013

0.0

0.013

0.0

MP

BaV2TeO8

data_[Ba4V8Te4O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.8973] _cell_length_b [5.69...

2.694

0.0

0.5229

0.0

MP

Na2Cr2O7

data_[Na4Cr4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.0490] _cell_length_b [7.1159] _cell_length_c [7.3407] _cell...

2.618

0.005

0.5162

0.0088

MP

K2NaAlF6

data_[K8Na4Al4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2535] _cell_length_b [8.253...

6.858

0.0

0.7531

0.0

MP

LiV4CuO12

data_[Li1V4Cu1O12] 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 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.0038] _cell_length_b [5.3894] ...

0.363

0.086

0.1653

0.0827

MP

ZnBi6P2(O7F)2

data_[Zn4Bi24P8O56F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a ...

2.523

0.086

0.5077

0.0827

MP

CsNd2Ti2NbO10

data_[Cs2Nd4Ti4Nb2O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Nd 1.1400 1.8500 1.2765 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a...

1.576

0.046

0.4039

0.0509

MP

LiAlVO4

data_[Li4Al4V4O16] 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 [Pnma] _cell_length_a [9.4356] _cell_length_b [2.9160...

1.526

0.059

0.3972

0.0618

MP

Li2VSiCO7

data_[Li4V2Si2C2O14] 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 Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

1.88

0.075

0.4416

0.0745

MP

Na2Te2H4O7

data_[Na4Te4H8O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Te 2.1000 1.4000 1.2933 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.7412] _cell_length_b [6.3339]...

3.737

0.0

0.6011

0.0

MP

KMg30WO32

data_[K1Mg30W1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mg 1.3100 1.5000 0.8600 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6182] _cell_length_b [8.618...

2.961

0.077

0.5451

0.076

MP

ScCl3

data_[Sc6Cl18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [6.4932] _cell_length_b [6.4932] _cell_length_c [19.3248] _cell_angle_alpha [90.0000] _cell_...

3.872

0.0

0.6098

0.0

MP

LiMgAs

data_[Li4Mg4As4] 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 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.2134] _cell_length_b [6.2134] _cell_length_c [6.2134] _c...

1.372

0.0

0.3755

0.0

MP

CsUVO6

data_[Cs4U4V4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 U 1.3800 1.7500 0.9913 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.8396] _cell_length_b [8.4954...

1.946

0.0

0.4491

0.0

MP

UP2H6CO10

data_[U4P8H24C4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ U 1.3800 1.7500 0.9913 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [1...

0.454

0.344

0.1923

0.2297

MP

TaClF8

data_[Ta4Cl4F32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cl 3.1600 1.0000 0.7800 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pcca] _cell_length_a [10.1060] _cell_length_b [5.9959] _cell_length_c [11.0048] _c...

3.122

0.0

0.5577

0.0

MP

BaCaCo4O7

data_[Ba4Ca4Co16O28] 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 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pna2_1] _cell_length_a [11.1031] _cell_length_b [...

0.843

0.538

0.2848

0.3103

MP

K2La4O7

data_[K2La4O7] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [6.3799] _cell_length_b [6.3799] _cell_length_c [7.7489] _cell_...

2.718

0.135

0.525

0.1166

MP

Gd3Sc2Al3O12

data_[Gd24Sc16Al24O96] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.5260] _cell_length_b ...

3.288

0.0

0.5701

0.0

MP

NdF3

data_[Nd6F18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-3c1] _cell_length_a [7.0882] _cell_length_b [7.0882] _cell_length_c [7.2767] _cell_angle_alpha [90.0000] _cell_a...

7.616

0.0

0.7799

0.0

MP

Na5CoHO4

data_[Na40Co8H8O32] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.9841] _cell_length_b [10.12...

1.419

0.005

0.3823

0.0088

MP

Mg30MnZnO32

data_[Mg30Mn1Zn1O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mn 1.5500 1.4000 0.6483 Zn 1.6500 1.3500 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.5408] _cell_length_b [8...

2.779

0.009

0.5302

0.014

MP

Li2MnV3O8

data_[Li12Mn6V18O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 V 1.6300 1.3500 0.7775 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3c] _cell_length_a [5.9677] _cell_length_b [5.967...

1.723

0.019

0.4227

0.0254

MP

Ca7(VN3)3

data_[Ca14V6N18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 V 1.6300 1.3500 0.7775 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.0780] _cell_length_b [9.9982] _cell_length_c [9.0308] _ce...

0.295

0.024

0.143

0.0305

MP

VPO5

data_[V2P2O10] 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 [P4/nmm] _cell_length_a [6.2516] _cell_length_b [6.2516] _cell_length_c [4.6598] _cell_...

1.418

0.022

0.3821

0.0285

MP

C28Cl5

data_[C224Cl40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [18.8737] _cell_length_b [13.5023] _cell_length_c [13.9496] _cell_angle_alpha [90.0000] _ce...

1.354

0.286

0.3728

0.2019

MP

BI3

data_[B2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [7.4024] _cell_length_b [7.4024] _cell_length_c [8.8347] _cell_angle_alpha [90.0000] _cell_ang...

2.69

0.0

0.5226

0.0

MP

LiMnPO4

data_[Li4Mn4P4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.7042] _cell_length_b [5.1524] ...

3.575

0.016

0.5903

0.0221

MP

Ce10Se14O

data_[Ce80Se112O8] 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 [I4_1/acd] _cell_length_a [15.7198] _cell_length_b [15.7198] _cell_length_c [20.7...

0.009

0.008

0.0097

0.0128

MP

Li4Mn3SbO8

data_[Li16Mn12Sb4O32] 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 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.4505] _cell_length_b [6...

0.78

0.045

0.2718

0.0501

MP

Li2VF6

data_[Li8V4F24] 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 [Pna2_1] _cell_length_a [9.7862] _cell_length_b [8.6875] _cell_length_c [5.0565] _cel...

2.087

0.025

0.4646

0.0315

MP

Li2Ti2S5

data_[Li8Ti8S20] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.5505] _cell_length_b [6.2265] _cell_length_c [11.9177] _c...

1.205

0.07

0.3499

0.0706

MP

AgGe2N3

data_[Ag4Ge8N12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [9.8945] _cell_length_b [5.8289] _cell_length_c [5.2504] _c...

0.565

0.169

0.222

0.1378

MP

USb2F15

data_[U4Sb8F60] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.5328] _cell_length_b [15.9034] _cell_length_c [10.4912] _c...

0.317

0.06

0.1505

0.0626

MP

K3ErSi2O7

data_[K18Er6Si12O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [9.9090] _cell_length_b [...

3.737

0.0

0.6011

0.0

MP

PSe

data_[P16Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [12.3593] _cell_length_b [7.4394] _cell_length_c [12.7792] _cell_angle_alpha [90.0000] _ce...

2.267

0.0

0.4832

0.0

MP

Y2TcPd

data_[Y4Tc2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Tc 1.9000 1.3500 0.7417 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.7693] _cell_length_b [11.6977] _cell_length_c [16.5438] _ce...

0.249

2.833

0.1268

0.7712

MP

Li4Mn3O5F3

data_[Li8Mn6O10F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [13.1442] _cell_length_b [2.9330]...

0.707

0.095

0.2559

0.0893

MP

Fe(BO2)2

data_[Fe8B16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P2_1/c] _cell_length_a [7.2377] _cell_length_b [7.5347] _cell_length_c [8.7207] _ce...

4.026

0.137

0.6193

0.1179

MP

Cs3CdH5

data_[Cs12Cd4H20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Cd 1.6900 1.5500 1.0900 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.5766] _cell_length_b [8.5766] _cell_length_c [12.7416] ...

2.722

0.0

0.5253

0.0

MP

Gd3As5O12

data_[Gd12As20O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Gd 1.2000 1.8000 1.0750 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [10.7441] _cell_length_b [10.7441] _cell_length_c [10.7441...

2.387

0.0

0.4949

0.0

MP

Ba2V4Cd3O15

data_[Ba8V16Cd12O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 V 1.6300 1.3500 0.7775 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [7.3363] _cell_length_b...

2.909

0.0

0.5409

0.0

MP

Lu2CdSe4

data_[Lu16Cd8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Cd 1.6900 1.5500 1.0900 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [11.6429] _cell_length_b [11.6429] _cell_length_c [11.642...

0.703

0.003

0.255

0.0058

MP

CeSe2

data_[Ce16Se32] 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 [Fddd] _cell_length_a [7.9848] _cell_length_b [16.0027] _cell_length_c [24.7949] _cell_angle_alpha [90.0000] _ce...

1.008

0.541

0.3163

0.3114

MP

KDy2Cl7

data_[K4Dy8Cl28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Dy 1.2200 1.7500 1.1310 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9629] _cell_length_b [12.6333] _cell_length_c [13.4341] ...

4.673

0.0

0.6562

0.0

MP

Sr2LiBeB3O8

data_[Sr8Li4Be4B12O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_lengt...

4.937

0.0

0.67

0.0

MP

BP2Pb2O9

data_[B4P8Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.6437] _cell_length_b [8.3141...

0.023

0.063

0.0205

0.0651

MP

Ag3Sn2(GeP2)3

data_[Ag12Sn8Ge12P24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Sn 1.9600 1.4500 0.8300 Ge 2.0100 1.2500 0.7700 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [10.6264] _cell_length_b [...

0.215

0.0

0.114

0.0

MP

LiMnAlO4

data_[Li4Mn4Al4O16] 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 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_322] _cell_length_a [5.7484] _cell_length_b [5....

1.632

0.062

0.4112

0.0643

MP

SrCr9Ga3O19

data_[Sr2Cr18Ga6O38] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Cr 1.6600 1.4000 0.9400 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [5.9125] _cell_length_b [5...

1.967

0.002

0.4515

0.0042

MP

LiCr2P3O13

data_[Li4Cr8P12O52] 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 [6.1804] _cell_length_b [21....

1.148

0.089

0.3406

0.0849

MP

Na3FeO4

data_[Na6Fe2O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [6.0705] _cell_length_b [5.5293] _cell_length_c [7.3112] _cell...

0.713

0.045

0.2572

0.0501

MP

Na3Mg2(MoO4)3

data_[Na12Mg8Mo12O48] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.3855] _cell_length_b [1...

1.172

0.047

0.3445

0.0518

MP

CsSb

data_[Cs16Sb16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [15.6261] _cell_length_b [7.5434] _cell_length_c [14.5625] _cell_angle_alpha [90.0000] _...

0.522

0.0

0.2109

0.0

MP

ZrI4

data_[Zr4I16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [8.6501] _cell_length_b [8.7210] _cell_length_c [27.5924] _cell_angle_alpha [89.5824] _cell_an...

2.076

0.048

0.4634

0.0526