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	Ba3Ti3(BO6)2	data_[Ba3Ti3B2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.8892] _cell_length_b [8.889...	2.131	0.027	0.4693	0.0335
MP	Li2CrP2O7	data_[Li16Cr8P16O56] 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 [C2/c] _cell_length_a [7.9175] _cell_length_b [12.8...	3.5	0.031	0.5852	0.0374
MP	SnPH5NO4F	data_[Sn4P4H20N4O16F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_nam...	3.098	0.006	0.5559	0.0101
MP	Na5Ga7H12S13O6	data_[Na40Ga56H96S104O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 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 [F-43c] _cell_leng...	2.995	0.0	0.5478	0.0
MP	MgMoRu2	data_[Mg2Mo2Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6952] _cell_length_b [11.3963] _cell_length_c [15.5436] _...	0.076	3.239	0.0522	0.8171
MP	PdAu2(NCl2)4	data_[Pd1Au2N4Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.7004] _cell_length_b [7.9259...	0.017	1.317	0.0161	0.5298
MP	Ho2Se3	data_[Ho32Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.2216] _cell_length_b [11.5128] _cell_length_c [24.4507] _cell_angle_alpha [90.0000] _ce...	1.315	0.0	0.367	0.0
MP	Li2Ag3F6	data_[Li4Ag6F12] 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 [C2/m] _cell_length_a [5.4630] _cell_length_b [5.4262] _cell_length_c [9.8322] _cel...	0.197	0.068	0.107	0.069
MP	LiBiP2O7	data_[Li8Bi8P16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1645] _cell_length_b [8.98...	3.999	0.047	0.6177	0.0518
MP	LiV5O7F	data_[Li2V10O14F2] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.4861] _cell_length_b [6.1247] ...	0.842	0.059	0.2846	0.0618
MP	Fe9O10	data_[Fe9O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3568] _cell_length_b [6.1428] _cell_length_c [6.8852] _cell_angle_alpha [103.2806] _cell_an...	1.618	0.039	0.4094	0.0447
MP	SrYCoO4	data_[Sr2Y2Co2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.7815] _cell_length_b [3.7815]...	0.75	0.082	0.2653	0.0798
MP	YZnAsO	data_[Y2Zn2As2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9747] _cell_length_b [3.974...	1.202	0.0	0.3494	0.0
MP	ScGaO3	data_[Sc6Ga6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [5.7901] _cell_length_b [5.7901] _cell_length_c [11.5708] _...	3.171	0.005	0.5614	0.0088
MP	Ce2Te7Cl2O17	data_[Ce4Te14Cl4O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [9.8659] _cell_length_b [5.4...	1.378	0.001	0.3764	0.0024
MP	CsGd(MoO4)2	data_[Cs2Gd2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Gd 1.2000 1.8000 1.0750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccm] _cell_length_a [5.1086] _cell_length_b [9.67...	3.082	0.0	0.5546	0.0
MP	KMnO2	data_[K4Mn4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.0975] _cell_length_b [2.9428] _cell_length_c [6.3601] _cell_...	1.815	0.057	0.4339	0.0602
MP	LiZn2Ag	data_[Li2Zn4Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.4682] _cell_length_b [10.8787] _cell_length_c [15.3773] ...	1.332	1.009	0.3695	0.4565
MP	MgGeO3	data_[Mg8Ge8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.7291] _cell_length_b [9.0639] _cell_length_c [5.2324] _cel...	2.526	0.012	0.5079	0.0176
MP	Dy2Mn2O7	data_[Dy16Mn16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.0352] _cell_length_b [10.0352] _cell_length_c [10.0352...	0.904	0.0	0.2969	0.0
MP	K5Hf3OF17	data_[K20Hf12O4F68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.5263] _cell_length_b [15.409...	0.807	0.088	0.2774	0.0842
MP	Nd4Rh6Pb19	data_[Nd32Rh48Pb152] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Rh 2.2800 1.3500 0.7450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [14.5807] _cell_length_b [14.5807] _cell_length_c [2...	0.023	0.0	0.0205	0.0
MP	LiCo2(PO3)5	data_[Li2Co4P10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.2768] _cell_length_b [8.4643]...	3.195	0.006	0.5632	0.0101
MP	Al4ZnS7	data_[Al8Zn2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [15.2371] _cell_length_b [6.5432] _cell_length_c [6.1702] _...	3.007	0.055	0.5488	0.0585
MP	N2	data_[N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.9290] _cell_length_b [3.9290] _cell_length_c [6.3931] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angl...	0.963	4.687	0.3081	0.9476
MP	Ca2AlF7	data_[Ca8Al4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.8011] _cell_length_b [7.0856] _cell_length_c [9.6667] _cel...	7.141	0.004	0.7634	0.0073
MP	Ba5SrLa2Fe4O15	data_[Ba40Sr8La16Fe32O120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_leng...	2.415	0.002	0.4976	0.0042
MP	W2Se3S	data_[W4Se6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.2862] _cell_length_b [3.2862] _cell_length_c [37.4474] _cell_...	0.628	0.011	0.2375	0.0164
MP	K30Ga9As19	data_[K180Ga54As114] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [29.3730] _cell_length_b [29.3730] _cell_length_c [15.8360...	0.184	0.0	0.1018	0.0
MP	Li2CrPO5	data_[Li16Cr8P8O40] 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 [13.0312] _cell_length_b [5....	2.354	0.093	0.4918	0.0879
MP	KAlSe2	data_[K16Al16Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.0360] _cell_length_b [11.0402] _cell_length_c [15.6351]...	2.419	0.0	0.498	0.0
MP	ZnS	data_[Zn10S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.8541] _cell_length_b [3.8541] _cell_length_c [31.4875] _cell_angle_alpha [90.0000] _cel...	2.029	0.0	0.4583	0.0
MP	Fe3Co2Te(PO4)6	data_[Fe9Co6Te3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...	0.056	0.043	0.0412	0.0483
MP	Ba4MgTa10O30	data_[Ba8Mg2Ta20O60] 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 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [7.9200] _cell_length_b [10....	2.468	0.0	0.5026	0.0
MP	Na2P2H14O13	data_[Na8P8H56O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [C2/c] _cell_length_a [14.1497] _cell_length_b [7.0166...	5.259	0.017	0.6858	0.0232
MP	Cr3(PO4)2	data_[Cr24P16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_12_12_1] _cell_length_a [8.6317] _cell_length_b [10.5410] _cell_length_c [14.46...	2.352	0.089	0.4916	0.0849
MP	Ba3Sr2As3ClO12	data_[Ba6Sr4As6Cl2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_leng...	3.914	0.001	0.6124	0.0024
MP	ZnCu2SiS4	data_[Zn2Cu4Si2S8] 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 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.3737] _cell_length_b [6.4...	1.282	0.002	0.362	0.0042
MP	Ce3Zr5O16	data_[Ce6Zr10O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222] _cell_length_a [10.5514] _cell_length_b [10.6478] _cell_length_c [5.3591] _...	1.812	0.046	0.4336	0.0509
MP	Li2Ni2(SO4)3	data_[Li16Ni16S24O96] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [8.5678] _cell_length_b [8.6...	3.656	0.038	0.5958	0.0438
MP	NaNbO3	data_[Na6Nb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.4252] _cell_length_b [5.4252] _cell_length_c [15.9233] _cel...	3.837	0.003	0.6076	0.0058
MP	KDy(MoO4)2	data_[K4Dy4Mo8O32] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [5.1456] _cell_length_b [18.447...	3.596	0.0	0.5917	0.0
MP	Ti2H2CSe4Cl16O5	data_[Ti4H4C2Se8Cl32O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group...	2.477	0.107	0.5034	0.0978
MP	Mg149Ru	data_[Mg149Ru1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [15.9222] _cell_length_b [15.9222] _cell_length_c [15.6355] _cell_angle_alpha [90.0000] _...	0.064	0.008	0.0457	0.0128
MP	Ba2NdTaO6	data_[Ba8Nd4Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nd 1.1400 1.8500 1.2765 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.6979] _cell_length_b [8.6...	3.316	0.012	0.5722	0.0176
MP	RbYMg30O32	data_[Rb1Y1Mg30O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6751] _cell_length_b [8.6...	3.74	0.096	0.6013	0.09
MP	Mg2GaPb	data_[Mg4Ga2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.2505] _cell_length_b [12.4494] _cell_length_c [17.5566] ...	0.139	1.445	0.0826	0.5567
MP	HoSc(BO3)2	data_[Ho3Sc3B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Sc 1.3600 1.6000 0.8850 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 [4.8975] _cell_length_b [4.8975]...	4.461	0.01	0.6447	0.0152
MP	Sr2Ga2O5	data_[Sr16Ga16O40] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [9.7295] _cell_length_b [10.8123] _cell_length_c [10.1151] ...	3.147	0.012	0.5596	0.0176
MP	KBeH3	data_[K4Be4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8613] _cell_length_b [5.4974] _cell_length_c [9.0442] _cel...	3.088	0.008	0.5551	0.0128
MP	KBa6Zn4(GaO3)7	data_[K2Ba12Zn8Ga14O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...	2.458	0.0	0.5017	0.0
MP	ZrH3NF4	data_[Zr4H12N4F16] 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 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 [6.1467] _cell_length_b [8.1915] ...	4.69	0.0	0.6571	0.0
MP	InPb2I5	data_[In4Pb8I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Pb 2.3300 1.8000 1.1225 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [9.0101] _cell_length_b [9.0101] _cell_length_c [15.5725] _...	1.857	0.057	0.4389	0.0602
MP	MgCrFeO4	data_[Mg4Cr4Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [6.0215] _cell_length_b [6.03...	1.754	0.04	0.4266	0.0456
MP	ScCu2Hg	data_[Sc2Cu4Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6142] _cell_length_b [10.5675] _cell_length_c [14.0420] _...	0.816	1.762	0.2793	0.6167
MP	MnCd6O8	data_[Mn4Cd24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.4114] _cell_length_b [9.4114] _cell_length_c [9.4114] _c...	0.174	0.008	0.0977	0.0128
MP	Na7SnS3(O4F)3	data_[Na14Sn2S6O24F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_...	5.026	0.025	0.6744	0.0315
MP	PbBrCl	data_[Pb2Br2Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.7031] _cell_length_b [4.7031] _cell_length_c [7.9024] _...	3.071	0.08	0.5538	0.0783
MP	Li2CuIrF6	data_[Li8Cu4Ir4F24] 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 Ir 2.2000 1.3500 0.7650 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2461] _cell_length_b [8.2...	0.739	0.378	0.2629	0.2451
MP	SmAlO3	data_[Sm4Al4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.3126] _cell_length_b [7.5311] _cell_length_c [5.3584] _cel...	4.077	0.005	0.6224	0.0088
MP	Li4Cr2C4SO16	data_[Li16Cr8C16S4O64] 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 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	0.875	0.09	0.2912	0.0857
MP	Ca5Ti3NbAl(SiO5)5	data_[Ca10Ti6Nb2Al2Si10O50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_...	2.914	0.007	0.5413	0.0115
MP	Ca2Bi10O17	data_[Ca4Bi20O34] 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 [Cm] _cell_length_a [13.5229] _cell_length_b [8.0903] _cell_length_c [9.8701] _cel...	1.675	0.088	0.4167	0.0842
MP	VFe5(PO4)6	data_[V3Fe15P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [R3] _cell_length_a [8.6274] _cell_length_b [8.6274] ...	1.31	0.042	0.3662	0.0474
MP	Na2InPCO7	data_[Na4In2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...	2.768	0.0	0.5292	0.0
MP	CsInI3	data_[Cs4In4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.9340] _cell_length_b [11.0736] _cell_length_c [11.3731] _c...	1.487	0.018	0.3919	0.0243
MP	Li2YAl	data_[Li8Y4Al4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.7232] _cell_length_b [6.7232] _cell_length_c [6.7232] _cel...	0.0	0.022	0.0	0.0285
MP	CrFe4P2(CO)18	data_[Cr4Fe16P8C72O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length...	0.663	0.905	0.2458	0.4285
MP	Lu2WO6	data_[Lu8W4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.1928] _cell_length_b [9.0034] _cell_length_c [9.8555] ...	3.783	0.028	0.6041	0.0345
MP	H12C4N2O9	data_[H48C16N8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.3271] _cell_length_b [12.4947...	3.312	0.06	0.5719	0.0626
MP	Sr(DySe2)2	data_[Sr4Dy8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.5834] _cell_length_b [4.1564] _cell_length_c [15.0268] ...	1.358	0.0	0.3734	0.0
MP	Na3In2(AsO4)3	data_[Na12In8As12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.8034] _cell_length_b [1...	2.265	0.0	0.483	0.0
MP	SrVF5	data_[Sr8V8F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1963] _cell_length_b [7.4026] _cell_length_c [14.9806] _ce...	2.377	0.0	0.494	0.0
MP	Na2Nd2PtO6	data_[Na8Nd8Pt4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.4461] _cell_length_b [9.3213...	2.145	0.034	0.4707	0.0402
MP	Y4CdNi	data_[Y64Cd16Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [13.6158] _cell_length_b [13.6158] _cell_length_c [13.6158...	0.013	0.0	0.013	0.0
MP	Cs2GeCl6	data_[Cs8Ge4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.5743] _cell_length_b [10.5743] _cell_length_c [10.5743...	2.215	0.0	0.4779	0.0
MP	Rb2Cd3S4	data_[Rb8Cd12S16] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.4668] _cell_length_b [10.7618] _cell_length_c [6.7247] _...	1.892	0.0	0.443	0.0
MP	Mg2BP3(H3O7)2	data_[Mg8B4P12H24O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_leng...	5.346	0.003	0.6899	0.0058
MP	CdCl2	data_[Cd2Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.7998] _cell_length_b [3.9135] _cell_length_c [6.3250] _cell_angle_alpha [90.0000] _cell_a...	3.516	0.003	0.5863	0.0058
MP	Na2VNiF7	data_[Na8V4Ni4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3355] _cell_length_b [10.469...	2.465	0.0	0.5023	0.0
MP	Li3MnF5	data_[Li12Mn4F20] 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 [P4_1] _cell_length_a [5.7884] _cell_length_b [5.7884] _cell_length_c [11.2477] _c...	4.856	0.101	0.6658	0.0936
MP	BeSiAs2	data_[Be4Si4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.3843] _cell_length_b [5.3843] _cell_length_c [10.6966] _...	1.023	0.0	0.319	0.0
MP	Li10Sn(PSe6)2	data_[Li20Sn2P4Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.0831] _cell_length_b [9.434...	1.563	0.0	0.4022	0.0
MP	K2Se4O	data_[K8Se16O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [9.3436] _cell_length_b [8.6742] _cell_length_c [11.3085] _cell_a...	0.902	0.285	0.2965	0.2014
MP	TiFeO3	data_[Ti4Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.9206] _cell_length_b [9.5888] _cell_length_c [7.2568] _cel...	1.644	0.123	0.4128	0.1087
MP	InHO2	data_[In4H4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [5.3935] _cell_length_b [5.3935] _cell_length_c [5.3935] _cell_a...	1.537	0.049	0.3987	0.0535
MP	Na3La2(BO3)3	data_[Na6La4B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [5.1831] _cell_length_b [11.386...	3.79	0.001	0.6045	0.0024
MP	NiSnO3	data_[Ni6Sn6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.3170] _cell_length_b [5.3170] _cell_length_c [14.1567] _cel...	1.772	0.026	0.4288	0.0325
MP	Rb3P3H5N	data_[Rb24P24H40N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [9.7448] _cell_length_b [15.417...	2.136	0.0	0.4698	0.0
MP	Bi2WO8	data_[Bi2W1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4538] _cell_length_b [5.7233] _cell_length_c [5.8068] _cell_ang...	0.238	0.184	0.1227	0.1468
MP	NpH4ClO4	data_[Np32H128Cl32O128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Np 1.3600 1.7500 1.0000 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [21.7390] _cell_length_b...	0.347	0.008	0.1602	0.0128
MP	K2SnO3	data_[K8Sn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8427] _cell_length_b [10.5447] _cell_length_c [7.1352] _cell...	2.155	0.0	0.4718	0.0
MP	NaCoP2HO7	data_[Na2Co2P4H2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6...	3.283	0.001	0.5698	0.0024
MP	NdTe2ClO5	data_[Nd1Te2Cl1O5] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9326] _cell_length_b [3.9...	0.255	0.105	0.129	0.0964
MP	Ni6OF11	data_[Ni12O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.0777] _cell_length_b [6.6816] _cell_length_c [7.3087] _cell_a...	0.915	0.036	0.299	0.042
MP	Li2GaSn	data_[Li4Ga2Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0048] _cell_length_b [11.0794] _cell_length_c [15.6689] ...	0.141	1.492	0.0835	0.5662
MP	Cs2TmCl5O	data_[Cs8Tm4Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tm 1.2500 1.7500 1.0950 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.4994] _cell_length_b [11....	0.965	0.568	0.3084	0.3213
MP	Li2Cu2Si8O19	data_[Li4Cu4Si16O38] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [13.5559] _cell_length_b [4.93...	0.264	0.106	0.1322	0.0971
MP	Ca(RhO2)2	data_[Ca4Rh8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1408] _cell_length_b [3.1630] _cell_length_c [10.9090] _ce...	0.823	0.0	0.2807	0.0
MP	TmTa5Ag2O15	data_[Tm2Ta10Ag4O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ta 1.5000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.5902] _cell_length_b [...	2.513	0.069	0.5068	0.0698

MP

Ba3Ti3(BO6)2

data_[Ba3Ti3B2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ti 1.5400 1.4000 0.8517 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.8892] _cell_length_b [8.889...

2.131

0.027

0.4693

0.0335

MP

Li2CrP2O7

data_[Li16Cr8P16O56] 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 [C2/c] _cell_length_a [7.9175] _cell_length_b [12.8...

3.5

0.031

0.5852

0.0374

MP

SnPH5NO4F

data_[Sn4P4H20N4O16F4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_nam...

3.098

0.006

0.5559

0.0101

MP

Na5Ga7H12S13O6

data_[Na40Ga56H96S104O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 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 [F-43c] _cell_leng...

2.995

0.0

0.5478

0.0

MP

MgMoRu2

data_[Mg2Mo2Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Mo 2.1600 1.4500 0.7750 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6952] _cell_length_b [11.3963] _cell_length_c [15.5436] _...

0.076

3.239

0.0522

0.8171

MP

PdAu2(NCl2)4

data_[Pd1Au2N4Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pd 2.2000 1.4000 0.8462 Au 2.5400 1.3500 1.0700 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [7.7004] _cell_length_b [7.9259...

0.017

1.317

0.0161

0.5298

MP

Ho2Se3

data_[Ho32Se48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Fddd] _cell_length_a [8.2216] _cell_length_b [11.5128] _cell_length_c [24.4507] _cell_angle_alpha [90.0000] _ce...

1.315

0.0

0.367

0.0

MP

Li2Ag3F6

data_[Li4Ag6F12] 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 [C2/m] _cell_length_a [5.4630] _cell_length_b [5.4262] _cell_length_c [9.8322] _cel...

0.197

0.068

0.107

0.069

MP

LiBiP2O7

data_[Li8Bi8P16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.1645] _cell_length_b [8.98...

3.999

0.047

0.6177

0.0518

MP

LiV5O7F

data_[Li2V10O14F2] 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 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [10.4861] _cell_length_b [6.1247] ...

0.842

0.059

0.2846

0.0618

MP

Fe9O10

data_[Fe9O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3568] _cell_length_b [6.1428] _cell_length_c [6.8852] _cell_angle_alpha [103.2806] _cell_an...

1.618

0.039

0.4094

0.0447

MP

SrYCoO4

data_[Sr2Y2Co2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.7815] _cell_length_b [3.7815]...

0.75

0.082

0.2653

0.0798

MP

YZnAsO

data_[Y2Zn2As2O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Zn 1.6500 1.3500 0.8800 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9747] _cell_length_b [3.974...

1.202

0.0

0.3494

0.0

MP

ScGaO3

data_[Sc6Ga6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3cm] _cell_length_a [5.7901] _cell_length_b [5.7901] _cell_length_c [11.5708] _...

3.171

0.005

0.5614

0.0088

MP

Ce2Te7Cl2O17

data_[Ce4Te14Cl4O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Te 2.1000 1.4000 1.2933 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [9.8659] _cell_length_b [5.4...

1.378

0.001

0.3764

0.0024

MP

CsGd(MoO4)2

data_[Cs2Gd2Mo4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Gd 1.2000 1.8000 1.0750 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pccm] _cell_length_a [5.1086] _cell_length_b [9.67...

3.082

0.0

0.5546

0.0

MP

KMnO2

data_[K4Mn4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.0975] _cell_length_b [2.9428] _cell_length_c [6.3601] _cell_...

1.815

0.057

0.4339

0.0602

MP

LiZn2Ag

data_[Li2Zn4Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [10.4682] _cell_length_b [10.8787] _cell_length_c [15.3773] ...

1.332

1.009

0.3695

0.4565

MP

MgGeO3

data_[Mg8Ge8O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ge 2.0100 1.2500 0.7700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.7291] _cell_length_b [9.0639] _cell_length_c [5.2324] _cel...

2.526

0.012

0.5079

0.0176

MP

Dy2Mn2O7

data_[Dy16Mn16O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [10.0352] _cell_length_b [10.0352] _cell_length_c [10.0352...

0.904

0.0

0.2969

0.0

MP

K5Hf3OF17

data_[K20Hf12O4F68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Hf 1.3000 1.5500 0.8500 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [8.5263] _cell_length_b [15.409...

0.807

0.088

0.2774

0.0842

MP

Nd4Rh6Pb19

data_[Nd32Rh48Pb152] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Rh 2.2800 1.3500 0.7450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [I4_1/acd] _cell_length_a [14.5807] _cell_length_b [14.5807] _cell_length_c [2...

0.023

0.0

0.0205

0.0

MP

LiCo2(PO3)5

data_[Li2Co4P10O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [5.2768] _cell_length_b [8.4643]...

3.195

0.006

0.5632

0.0101

MP

Al4ZnS7

data_[Al8Zn2S14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [15.2371] _cell_length_b [6.5432] _cell_length_c [6.1702] _...

3.007

0.055

0.5488

0.0585

MP

N2

data_[N2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [3.9290] _cell_length_b [3.9290] _cell_length_c [6.3931] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angl...

0.963

4.687

0.3081

0.9476

MP

Ca2AlF7

data_[Ca8Al4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.8011] _cell_length_b [7.0856] _cell_length_c [9.6667] _cel...

7.141

0.004

0.7634

0.0073

MP

Ba5SrLa2Fe4O15

data_[Ba40Sr8La16Fe32O120] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_leng...

2.415

0.002

0.4976

0.0042

MP

W2Se3S

data_[W4Se6S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ W 2.3600 1.3500 0.7667 Se 2.5500 1.1500 1.0133 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [3.2862] _cell_length_b [3.2862] _cell_length_c [37.4474] _cell_...

0.628

0.011

0.2375

0.0164

MP

K30Ga9As19

data_[K180Ga54As114] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ga 1.8100 1.3000 0.7600 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [29.3730] _cell_length_b [29.3730] _cell_length_c [15.8360...

0.184

0.0

0.1018

0.0

MP

Li2CrPO5

data_[Li16Cr8P8O40] 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 [13.0312] _cell_length_b [5....

2.354

0.093

0.4918

0.0879

MP

KAlSe2

data_[K16Al16Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [11.0360] _cell_length_b [11.0402] _cell_length_c [15.6351]...

2.419

0.0

0.498

0.0

MP

ZnS

data_[Zn10S10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_a [3.8541] _cell_length_b [3.8541] _cell_length_c [31.4875] _cell_angle_alpha [90.0000] _cel...

2.029

0.0

0.4583

0.0

MP

Fe3Co2Te(PO4)6

data_[Fe9Co6Te3P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a ...

0.056

0.043

0.0412

0.0483

MP

Ba4MgTa10O30

data_[Ba8Mg2Ta20O60] 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 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [7.9200] _cell_length_b [10....

2.468

0.0

0.5026

0.0

MP

Na2P2H14O13

data_[Na8P8H56O52] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 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 [C2/c] _cell_length_a [14.1497] _cell_length_b [7.0166...

5.259

0.017

0.6858

0.0232

MP

Cr3(PO4)2

data_[Cr24P16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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_12_12_1] _cell_length_a [8.6317] _cell_length_b [10.5410] _cell_length_c [14.46...

2.352

0.089

0.4916

0.0849

MP

Ba3Sr2As3ClO12

data_[Ba6Sr4As6Cl2O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sr 0.9500 2.0000 1.3200 As 2.1800 1.1500 0.6600 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_leng...

3.914

0.001

0.6124

0.0024

MP

ZnCu2SiS4

data_[Zn2Cu4Si2S8] 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 Si 1.9000 1.1000 0.5400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pmn2_1] _cell_length_a [7.3737] _cell_length_b [6.4...

1.282

0.002

0.362

0.0042

MP

Ce3Zr5O16

data_[Ce6Zr10O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C222] _cell_length_a [10.5514] _cell_length_b [10.6478] _cell_length_c [5.3591] _...

1.812

0.046

0.4336

0.0509

MP

Li2Ni2(SO4)3

data_[Li16Ni16S24O96] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [8.5678] _cell_length_b [8.6...

3.656

0.038

0.5958

0.0438

MP

NaNbO3

data_[Na6Nb6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.4252] _cell_length_b [5.4252] _cell_length_c [15.9233] _cel...

3.837

0.003

0.6076

0.0058

MP

KDy(MoO4)2

data_[K4Dy4Mo8O32] 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 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbcn] _cell_length_a [5.1456] _cell_length_b [18.447...

3.596

0.0

0.5917

0.0

MP

Ti2H2CSe4Cl16O5

data_[Ti4H4C2Se8Cl32O10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 Se 2.5500 1.1500 1.0133 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group...

2.477

0.107

0.5034

0.0978

MP

Mg149Ru

data_[Mg149Ru1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [15.9222] _cell_length_b [15.9222] _cell_length_c [15.6355] _cell_angle_alpha [90.0000] _...

0.064

0.008

0.0457

0.0128

MP

Ba2NdTaO6

data_[Ba8Nd4Ta4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Nd 1.1400 1.8500 1.2765 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.6979] _cell_length_b [8.6...

3.316

0.012

0.5722

0.0176

MP

RbYMg30O32

data_[Rb1Y1Mg30O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Y 1.2200 1.8000 1.0400 Mg 1.3100 1.5000 0.8600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [8.6751] _cell_length_b [8.6...

3.74

0.096

0.6013

0.09

MP

Mg2GaPb

data_[Mg4Ga2Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ga 1.8100 1.3000 0.7600 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.2505] _cell_length_b [12.4494] _cell_length_c [17.5566] ...

0.139

1.445

0.0826

0.5567

MP

HoSc(BO3)2

data_[Ho3Sc3B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Sc 1.3600 1.6000 0.8850 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 [4.8975] _cell_length_b [4.8975]...

4.461

0.01

0.6447

0.0152

MP

Sr2Ga2O5

data_[Sr16Ga16O40] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [9.7295] _cell_length_b [10.8123] _cell_length_c [10.1151] ...

3.147

0.012

0.5596

0.0176

MP

KBeH3

data_[K4Be4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.8613] _cell_length_b [5.4974] _cell_length_c [9.0442] _cel...

3.088

0.008

0.5551

0.0128

MP

KBa6Zn4(GaO3)7

data_[K2Ba12Zn8Ga14O42] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a...

2.458

0.0

0.5017

0.0

MP

ZrH3NF4

data_[Zr4H12N4F16] 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 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 [6.1467] _cell_length_b [8.1915] ...

4.69

0.0

0.6571

0.0

MP

InPb2I5

data_[In4Pb8I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Pb 2.3300 1.8000 1.1225 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [9.0101] _cell_length_b [9.0101] _cell_length_c [15.5725] _...

1.857

0.057

0.4389

0.0602

MP

MgCrFeO4

data_[Mg4Cr4Fe4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Cr 1.6600 1.4000 0.9400 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [6.0215] _cell_length_b [6.03...

1.754

0.04

0.4266

0.0456

MP

ScCu2Hg

data_[Sc2Cu4Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [9.6142] _cell_length_b [10.5675] _cell_length_c [14.0420] _...

0.816

1.762

0.2793

0.6167

MP

MnCd6O8

data_[Mn4Cd24O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Cd 1.6900 1.5500 1.0900 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [9.4114] _cell_length_b [9.4114] _cell_length_c [9.4114] _c...

0.174

0.008

0.0977

0.0128

MP

Na7SnS3(O4F)3

data_[Na14Sn2S6O24F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P6_3mc] _cell_length_...

5.026

0.025

0.6744

0.0315

MP

PbBrCl

data_[Pb2Br2Cl2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.7031] _cell_length_b [4.7031] _cell_length_c [7.9024] _...

3.071

0.08

0.5538

0.0783

MP

Li2CuIrF6

data_[Li8Cu4Ir4F24] 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 Ir 2.2000 1.3500 0.7650 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.2461] _cell_length_b [8.2...

0.739

0.378

0.2629

0.2451

MP

SmAlO3

data_[Sm4Al4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.3126] _cell_length_b [7.5311] _cell_length_c [5.3584] _cel...

4.077

0.005

0.6224

0.0088

MP

Li4Cr2C4SO16

data_[Li16Cr8C16S4O64] 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 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

0.875

0.09

0.2912

0.0857

MP

Ca5Ti3NbAl(SiO5)5

data_[Ca10Ti6Nb2Al2Si10O50] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ti 1.5400 1.4000 0.8517 Nb 1.6000 1.4500 0.8200 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_...

2.914

0.007

0.5413

0.0115

MP

Ca2Bi10O17

data_[Ca4Bi20O34] 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 [Cm] _cell_length_a [13.5229] _cell_length_b [8.0903] _cell_length_c [9.8701] _cel...

1.675

0.088

0.4167

0.0842

MP

VFe5(PO4)6

data_[V3Fe15P18O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 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 [R3] _cell_length_a [8.6274] _cell_length_b [8.6274] ...

1.31

0.042

0.3662

0.0474

MP

Na2InPCO7

data_[Na4In2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a...

2.768

0.0

0.5292

0.0

MP

CsInI3

data_[Cs4In4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [10.9340] _cell_length_b [11.0736] _cell_length_c [11.3731] _c...

1.487

0.018

0.3919

0.0243

MP

Li2YAl

data_[Li8Y4Al4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.7232] _cell_length_b [6.7232] _cell_length_c [6.7232] _cel...

0.0

0.022

0.0

0.0285

MP

CrFe4P2(CO)18

data_[Cr4Fe16P8C72O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length...

0.663

0.905

0.2458

0.4285

MP

Lu2WO6

data_[Lu8W4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_length_a [5.1928] _cell_length_b [9.0034] _cell_length_c [9.8555] ...

3.783

0.028

0.6041

0.0345

MP

H12C4N2O9

data_[H48C16N8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [11.3271] _cell_length_b [12.4947...

3.312

0.06

0.5719

0.0626

MP

Sr(DySe2)2

data_[Sr4Dy8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [12.5834] _cell_length_b [4.1564] _cell_length_c [15.0268] ...

1.358

0.0

0.3734

0.0

MP

Na3In2(AsO4)3

data_[Na12In8As12O48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 In 1.7800 1.5500 0.9400 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [12.8034] _cell_length_b [1...

2.265

0.0

0.483

0.0

MP

SrVF5

data_[Sr8V8F40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 V 1.6300 1.3500 0.7775 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.1963] _cell_length_b [7.4026] _cell_length_c [14.9806] _ce...

2.377

0.0

0.494

0.0

MP

Na2Nd2PtO6

data_[Na8Nd8Pt4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [9.4461] _cell_length_b [9.3213...

2.145

0.034

0.4707

0.0402

MP

Y4CdNi

data_[Y64Cd16Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Cd 1.6900 1.5500 1.0900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [13.6158] _cell_length_b [13.6158] _cell_length_c [13.6158...

0.013

0.0

0.013

0.0

MP

Cs2GeCl6

data_[Cs8Ge4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.5743] _cell_length_b [10.5743] _cell_length_c [10.5743...

2.215

0.0

0.4779

0.0

MP

Rb2Cd3S4

data_[Rb8Cd12S16] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.4668] _cell_length_b [10.7618] _cell_length_c [6.7247] _...

1.892

0.0

0.443

0.0

MP

Mg2BP3(H3O7)2

data_[Mg8B4P12H24O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 B 2.0400 0.8500 0.4100 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_12_12_1] _cell_leng...

5.346

0.003

0.6899

0.0058

MP

CdCl2

data_[Cd2Cl4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.7998] _cell_length_b [3.9135] _cell_length_c [6.3250] _cell_angle_alpha [90.0000] _cell_a...

3.516

0.003

0.5863

0.0058

MP

Na2VNiF7

data_[Na8V4Ni4F28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 V 1.6300 1.3500 0.7775 Ni 1.9100 1.3500 0.7400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.3355] _cell_length_b [10.469...

2.465

0.0

0.5023

0.0

MP

Li3MnF5

data_[Li12Mn4F20] 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 [P4_1] _cell_length_a [5.7884] _cell_length_b [5.7884] _cell_length_c [11.2477] _c...

4.856

0.101

0.6658

0.0936

MP

BeSiAs2

data_[Be4Si4As8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Si 1.9000 1.1000 0.5400 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.3843] _cell_length_b [5.3843] _cell_length_c [10.6966] _...

1.023

0.0

0.319

0.0

MP

Li10Sn(PSe6)2

data_[Li20Sn2P4Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sn 1.9600 1.4500 0.8300 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [9.0831] _cell_length_b [9.434...

1.563

0.0

0.4022

0.0

MP

K2Se4O

data_[K8Se16O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [9.3436] _cell_length_b [8.6742] _cell_length_c [11.3085] _cell_a...

0.902

0.285

0.2965

0.2014

MP

TiFeO3

data_[Ti4Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [2.9206] _cell_length_b [9.5888] _cell_length_c [7.2568] _cel...

1.644

0.123

0.4128

0.1087

MP

InHO2

data_[In4H4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [5.3935] _cell_length_b [5.3935] _cell_length_c [5.3935] _cell_a...

1.537

0.049

0.3987

0.0535

MP

Na3La2(BO3)3

data_[Na6La4B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 La 1.1000 1.9500 1.1720 B 2.0400 0.8500 0.4100 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [5.1831] _cell_length_b [11.386...

3.79

0.001

0.6045

0.0024

MP

NiSnO3

data_[Ni6Sn6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.3170] _cell_length_b [5.3170] _cell_length_c [14.1567] _cel...

1.772

0.026

0.4288

0.0325

MP

Rb3P3H5N

data_[Rb24P24H40N8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pbca] _cell_length_a [9.7448] _cell_length_b [15.417...

2.136

0.0

0.4698

0.0

MP

Bi2WO8

data_[Bi2W1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 W 2.3600 1.3500 0.7667 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4538] _cell_length_b [5.7233] _cell_length_c [5.8068] _cell_ang...

0.238

0.184

0.1227

0.1468

MP

NpH4ClO4

data_[Np32H128Cl32O128] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Np 1.3600 1.7500 1.0000 H 2.2000 0.2500 0.0000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [21.7390] _cell_length_b...

0.347

0.008

0.1602

0.0128

MP

K2SnO3

data_[K8Sn4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [5.8427] _cell_length_b [10.5447] _cell_length_c [7.1352] _cell...

2.155

0.0

0.4718

0.0

MP

NaCoP2HO7

data_[Na2Co2P4H2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Co 1.8800 1.3500 0.7683 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6...

3.283

0.001

0.5698

0.0024

MP

NdTe2ClO5

data_[Nd1Te2Cl1O5] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9326] _cell_length_b [3.9...

0.255

0.105

0.129

0.0964

MP

Ni6OF11

data_[Ni12O2F22] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [9.0777] _cell_length_b [6.6816] _cell_length_c [7.3087] _cell_a...

0.915

0.036

0.299

0.042

MP

Li2GaSn

data_[Li4Ga2Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [11.0048] _cell_length_b [11.0794] _cell_length_c [15.6689] ...

0.141

1.492

0.0835

0.5662

MP

Cs2TmCl5O

data_[Cs8Tm4Cl20O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tm 1.2500 1.7500 1.0950 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [14.4994] _cell_length_b [11....

0.965

0.568

0.3084

0.3213

MP

Li2Cu2Si8O19

data_[Li4Cu4Si16O38] 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 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [13.5559] _cell_length_b [4.93...

0.264

0.106

0.1322

0.0971

MP

Ca(RhO2)2

data_[Ca4Rh8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.1408] _cell_length_b [3.1630] _cell_length_c [10.9090] _ce...

0.823

0.0

0.2807

0.0

MP

TmTa5Ag2O15

data_[Tm2Ta10Ag4O30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ta 1.5000 1.4500 0.8200 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [12.5902] _cell_length_b [...

2.513

0.069

0.5068

0.0698