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	Ag2BiO3	data_[Ag8Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.1236] _cell_length_b [6.3594] _cell_length_c [11.3846] _cell...	0.505	0.001	0.2064	0.0024
MP	Eu2MgSe4	data_[Eu16Mg8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [13.8754] _cell_length_b [8.1856] _cell_length_c [13.194...	0.01	0.115	0.0106	0.1033
MP	Sr2TaN3	data_[Sr16Ta8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.0751] _cell_length_b [11.3495] _cell_length_c [12.6759] _...	2.466	0.0	0.5024	0.0
MP	LaPr3Al4O12	data_[La3Pr9Al12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [5.3814] _cell_length_b [5.38...	3.908	0.002	0.612	0.0042
MP	CeSe2	data_[Ce4Se8] 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 [Pm] _cell_length_a [7.5180] _cell_length_b [8.9087] _cell_length_c [8.3368] _cell_angle_alpha [90.0000] _cell_ang...	0.63	0.521	0.238	0.3038
MP	Li2SnP2O7	data_[Li4Sn2P4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3713] _cell_length_b [7.0201]...	3.773	0.037	0.6034	0.0429
MP	Li15H9N8	data_[Li30H18N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.1860] _cell_length_b [10.4177] _cell_length_c [7.1858] _cell...	2.697	0.006	0.5232	0.0101
MP	Co(Mo3O17)2	data_[Co2Mo12O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.8137] _cell_length_b [11.1648] _cell_length_c [12.1189...	0.014	0.452	0.0138	0.2766
MP	AlF3	data_[Al16F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [10.3266] _cell_length_b [10.3266] _cell_length_c [7.2758] _cell_angle_alpha [90.0000] _ce...	7.403	0.014	0.7726	0.0199
MP	Cs3GeTe3	data_[Cs24Ge8Te24] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.4629] _cell_length_b [14.7146] _cell_length_c [10.4499...	1.196	0.0	0.3484	0.0
MP	Si9C10NO18	data_[Si36C40N4O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 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 [Cm] _cell_length_a [16.9427] _cell_length_b [13.2945...	0.008	0.573	0.0088	0.3232
MP	TlP(HO2)2	data_[Tl4P4H8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [Pbcn] _cell_length_a [4.5096] _cell_length_b [14.4363]...	3.988	0.009	0.617	0.014
MP	BHO2	data_[B12H12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9259] _cell_length_b [8.8737] _cell_length_c [7.4607] _cel...	6.279	0.0	0.7306	0.0
MP	NdH10C21O11F15	data_[Nd2H20C42O22F30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...	3.46	0.283	0.5824	0.2004
MP	Li2ScP2HO8	data_[Li4Sc2P4H2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...	4.766	0.0	0.6612	0.0
MP	In2H5(SeO4)3	data_[In4H10Se6O24] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1064] _cell_length_b [11.382...	1.905	0.432	0.4445	0.2684
MP	Li3MnFe3O8	data_[Li6Mn2Fe6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2987] _cell_length_b [5.9...	0.336	0.08	0.1567	0.0783
MP	TiAs2Pb2O9	data_[Ti4As8Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 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 [7.0120] _cell_length_b [16...	2.622	0.014	0.5166	0.0199
MP	Li2Cr2O7	data_[Li8Cr8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7430] _cell_length_b [8.3705] _cell_length_c [9.6291] _c...	2.462	0.024	0.502	0.0305
MP	LiNiPO4	data_[Li4Ni4P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.4946] _cell_length_b [6.2396]...	3.349	0.06	0.5745	0.0626
MP	KCo(CO)4	data_[K8Co8C32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [22.3784] _cell_length_b [5.7906...	3.803	0.358	0.6054	0.2361
MP	H3NCl	data_[H24N8Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [7.9112] _cell_length_b [7.9112] _cell_length_c [7.9112] _cell_...	5.181	0.067	0.6821	0.0682
MP	LiBeH3	data_[Li4Be4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.5174] _cell_length_b [6.2766] _cell_length_c [4.3949] _cel...	2.705	0.106	0.5239	0.0971
MP	LiMnP2(HO4)2	data_[Li8Mn8P16H16O64] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [...	1.042	0.031	0.3224	0.0374
MP	ScAg(PSe3)2	data_[Sc2Ag2P4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [6.5350] _cell_length_b [6.5...	1.644	0.0	0.4128	0.0
MP	LiTl2InF6	data_[Li4Tl8In4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5680] _cell_length_b [8.5...	4.101	0.0	0.6239	0.0
MP	Rb6Pb5Cl16	data_[Rb24Pb20Cl64] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.7979] _cell_length_b [17.0457] _cell_length_c [11.405...	3.142	0.026	0.5592	0.0325
MP	BiOF	data_[Bi2O2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.7975] _cell_length_b [3.7975] _cell_length_c [6.2171] _cell...	3.13	0.0	0.5583	0.0
MP	SiO2	data_[Si32O64] 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 [Imma] _cell_length_a [5.2907] _cell_length_b [14.1136] _cell_length_c [26.1866] _cell_angle_alpha [90.0000] _cell...	5.462	0.023	0.6953	0.0295
MP	CeAsRh	data_[Ce4As4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 As 2.1800 1.1500 0.6600 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5695] _cell_length_b [4.3991] _cell_length_c [7.3262] _ce...	0.026	0.0	0.0225	0.0
MP	Te3WCl4O	data_[Te48W16Cl64O16] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4433] _cell_length_b [1...	1.131	0.044	0.3377	0.0492
MP	K4WS3O14	data_[K16W4S12O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6600] _cell_length_b [14.283...	3.44	0.007	0.581	0.0115
MP	Ta2Ni3S8	data_[Ta4Ni6S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [10.1730] _cell_length_b [14.2200] _cell_length_c [3.3463] _c...	0.526	0.0	0.212	0.0
MP	MoW2(Se2S)2	data_[Mo1W2Se4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [3.2745] _cell_length_b [3.2745]...	0.723	0.096	0.2594	0.09
MP	K3FeF6	data_[K12Fe4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.9284] _cell_length_b [8.9284] _cell_length_c [8.9284] _cel...	4.141	0.0	0.6263	0.0
MP	Ni(ClO)2	data_[Ni4Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.4560] _cell_length_b [6.7722] _cell_length_c [6.6816] _cel...	0.724	0.397	0.2596	0.2535
MP	Na3MgC2ClO6	data_[Na48Mg16C32Cl16O96] 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 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_len...	3.806	0.012	0.6056	0.0176
MP	CaZnSiO5	data_[Ca4Zn4Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [5.0613] _cell_length_b [16.187...	0.178	0.244	0.0993	0.1802
MP	La4Mn5(Si2O11)2	data_[La8Mn10Si8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.1589] _cell_length_b [5....	1.012	0.096	0.317	0.09
MP	Ti5ZnBi2(Pb2O9)2	data_[Ti10Zn2Bi4Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Zn 1.6500 1.3500 0.8800 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_...	1.948	0.018	0.4493	0.0243
MP	Na2CaPb3(CO3)5	data_[Na8Ca4Pb12C20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a...	3.744	0.0	0.6016	0.0
MP	NaCaAlF6	data_[Na8Ca8Al8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8605] _cell_length_b [5....	6.906	0.011	0.7548	0.0164
MP	Li4Ti3V2(Fe2O9)2	data_[Li8Ti6V4Fe8O36] 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 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length...	1.548	0.099	0.4002	0.0922
MP	Na2AsP(H4O5)2	data_[Na4As2P2H16O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a ...	4.088	0.012	0.6231	0.0176
MP	TiCuB	data_[Ti4Cu4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.2367] _cell_length_b [5.2367] _cell_length_c [5.2367] _cel...	0.179	0.372	0.0997	0.2424
MP	KHCO2	data_[K4H4C4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.9312] _cell_length_b [6.9512] _ce...	4.333	0.087	0.6375	0.0835
MP	NiSn(ClO)6	data_[Ni3Sn3Cl18O18] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [10.5270] _cell_length_b [10....	0.417	1.04	0.1817	0.4645
MP	CsPbBr3	data_[Cs4Pb4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.4471] _cell_length_b [8.4471] _cell_length_c [11.9813]...	1.818	0.007	0.4343	0.0115
MP	YV(SeO4)2	data_[Y4V4Se8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 V 1.6300 1.3500 0.7775 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Aem2] _cell_length_a [10.7438] _cell_length_b [7.3686]...	1.322	0.016	0.368	0.0221
MP	CaCeAlFe2Si3O13	data_[Ca2Ce2Al2Fe4Si6O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...	0.308	0.055	0.1474	0.0585
MP	K2PrPCO7	data_[K4Pr2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 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 [...	4.414	0.037	0.6421	0.0429
MP	Li2CoNi3O8	data_[Li8Co4Ni12O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_32_12] _cell_length_a [8.0455] _cell_length_b ...	0.019	0.218	0.0176	0.1661
MP	Li5Mn3Cu2(PO4)6	data_[Li5Mn3Cu2P6O24] 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 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...	0.45	0.072	0.1912	0.0722
MP	K2AlF5	data_[K2Al1F5] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [6.0370] _cell_length_b [6.0370] _cell_length_c [3.7518] _cell...	6.324	0.0	0.7324	0.0
MP	As2Ru	data_[As4Ru2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [5.4921] _cell_length_b [6.2499] _cell_length_c [3.0152] _cell_angle_alpha [90.0000] _cell_a...	0.449	0.0	0.1909	0.0
MP	Ca8Mo7O20	data_[Ca16Mo14O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.6501] _cell_length_b [8.6501] _cell_length_c [12.2165] _...	1.146	0.124	0.3402	0.1093
MP	Cs2TlSbI6	data_[Cs8Tl4Sb4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.7208] _cell_length_b [12...	0.937	0.023	0.3032	0.0295
MP	Na3HoTi2Nb2O12	data_[Na3Ho1Ti2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 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 [P1] _cell_length_a...	2.615	0.015	0.516	0.021
MP	LaAl2Si5N9O	data_[La4Al8Si20N36O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a ...	2.133	0.151	0.4695	0.1268
MP	Li6MnNi7O16	data_[Li12Mn2Ni14O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.4498] _cell_length_b [7.6...	0.179	0.029	0.0997	0.0354
MP	NbO2F	data_[Nb6O12F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P-1] _cell_length_a [5.5628] _cell_length_b [5.6791] _cell_length_c [13.8383] _cell_...	1.308	0.047	0.3659	0.0518
MP	Zn3Cu2(SiO4)3	data_[Zn24Cu16Si24O96] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [11.7477] _cell_length_b ...	0.417	0.186	0.1817	0.1479
MP	NaAlSi2H2O7	data_[Na16Al16Si32H32O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_len...	4.754	0.039	0.6605	0.0447
MP	SbAsO4	data_[Sb2As2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.9445] _cell_length_b [7.1093] _cell_length_c [5.6656] _ce...	3.083	0.011	0.5547	0.0164
MP	Ba(SmSe2)2	data_[Ba4Sm8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sm 1.1700 1.8500 1.2290 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.0169] _cell_length_b [4.2948] _cell_length_c [15.4408] ...	1.434	0.0	0.3844	0.0
MP	BaLaCl5	data_[Ba4La4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [7.1333] _cell_length_b [12.4669] _cell_length_c [9.9779] _...	3.999	0.063	0.6177	0.0651
MP	Sr4SnPbO8	data_[Sr4Sn1Pb1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2090] _cell_length_b [4.2...	1.859	0.067	0.4391	0.0682
MP	BaSiN2	data_[Ba8Si8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.6575] _cell_length_b [11.5923] _cell_length_c [7.6529] _ce...	2.92	0.0	0.5418	0.0
MP	K3UF7	data_[K24U8F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [9.3850] _cell_length_b [9.3850] _cell_length_c [18.4645] _cel...	0.599	0.001	0.2305	0.0024
MP	CsPrS2	data_[Cs3Pr3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2876] _cell_length_b [4.2876] _cell_length_c [24.3070] _cel...	2.161	0.002	0.4724	0.0042
MP	MnH2(CO2)2	data_[Mn4H8C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [Pbcn] _cell_length_a [7.6437] _cell_length_b [9.6472] ...	2.429	0.133	0.4989	0.1153
MP	ScTaO4	data_[Sc2Ta2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [4.8480] _cell_length_b [5.7491] _cell_length_c [5.1552] _cell...	4.028	0.0	0.6195	0.0
MP	RbNO3	data_[Rb3N3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [6.1601] _cell_length_b [6.1601] _cell_length_c [9.2590] _cell_an...	2.981	0.021	0.5467	0.0275
MP	Na5Tm4Si4O16F	data_[Na10Tm8Si8O32F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a...	4.801	0.0	0.663	0.0
MP	LiV24O58	data_[Li1V24O58] 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 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.3477] _cell_length_b [10.9408] _cell_length_c [14.3382] _cell...	0.081	0.037	0.0548	0.0429
MP	Cs2KPrI6	data_[Cs8K4Pr4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [13.0509] _cell_length_b [13.0...	3.233	0.005	0.5661	0.0088
MP	YEr(FeO3)2	data_[Y2Er2Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [7.7084] _cell_length_b [5.32...	1.589	0.015	0.4056	0.021
MP	NaDyO2	data_[Na4Dy4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [4.6292] _cell_length_b [4.6292] _cell_length_c [10.3794] ...	4.017	0.001	0.6188	0.0024
MP	CaH8(BrO6)2	data_[Ca2H16Br4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6906] _cell_length_b [8.1681...	3.137	0.0	0.5589	0.0
MP	K2Ti8O17	data_[K4Ti16O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.9146] _cell_length_b [3.8072] _cell_length_c [12.1089] _ce...	2.783	0.011	0.5305	0.0164
MP	MnSn(BO3)2	data_[Mn3Sn3B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 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 [4.8334] _cell_length_b [4.8334]...	2.571	0.0	0.512	0.0
MP	Ca3Ti3Cr2O12	data_[Ca24Ti24Cr16O96] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.6221] _cell_length_b ...	3.091	0.0	0.5553	0.0
MP	Os3C8(SO4)2	data_[Os24C64S16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 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 [P2_1/c] _cell_length_a [14.0346] _cell_length_b [12...	1.722	0.161	0.4226	0.133
MP	Nd9Ga5S21	data_[Nd54Ga30S126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [17.3820] _cell_length_b [17.3820] _cell_length_c [18.3605] ...	1.665	0.0	0.4155	0.0
MP	K4Ni(NO2)6	data_[K12Ni3N18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ni 1.9100 1.3500 0.7400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.6358] _cell_length_b [7.6358]...	2.068	0.119	0.4626	0.106
MP	BaLiGd2(MoO4)4	data_[Ba4Li4Gd8Mo16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 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 [C2/c] _cell_lengt...	0.039	0.043	0.031	0.0483
MP	NaSr3RuO6	data_[Na6Sr18Ru6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.7295] _cell_length_b [9.7...	0.5	0.0	0.205	0.0
MP	Dy2TeO6	data_[Dy6Te3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.1821] _cell_length_b [9.1821] _cell_length_c [5.2164] _cel...	3.039	0.014	0.5513	0.0199
MP	LaZr2F11	data_[La4Zr8F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zr 1.3300 1.5500 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [7.8949] _cell_length_b [10.2278] _cell_length_c [11.2773] _c...	5.755	0.011	0.7085	0.0164
MP	CoTe2O5	data_[Co8Te16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0960] _cell_length_b [12.2720] _cell_length_c [8.6510] _c...	2.502	0.011	0.5057	0.0164
MP	Cs2RbZrOF5	data_[Cs4Rb2Zr2O2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a...	4.71	0.006	0.6582	0.0101
MP	CaIn2O4	data_[Ca8In16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [9.3825] _cell_length_b [9.3825] _cell_length_c [9.3825] _c...	2.021	0.0	0.4575	0.0
MP	TiMn9O20	data_[Ti4Mn36O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0985] _cell_length_b [5.8072] _cell_length_c [24.0464] _...	1.675	0.075	0.4167	0.0745
MP	SrCa7Mn6Cr2O20	data_[Sr4Ca28Mn24Cr8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...	0.377	0.145	0.1696	0.123
MP	FeBiO3	data_[Fe1Bi1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4306] _cell_length_b [5.4585] _cell_length_c [5.5240] _cell_a...	1.626	0.438	0.4105	0.2708
MP	Si3CCl7	data_[Si24C8Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.4209] _cell_length_b [9.0190] _cell_length_c [18.1662] _...	4.02	0.064	0.619	0.0659
MP	AgBrO4	data_[Ag4Br4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.1814] _cell_length_b [5.1814] _cell_length_c [13.0980] _...	0.874	0.057	0.291	0.0602
MP	V2CdO10	data_[V8Cd4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Cc] _cell_length_a [13.3920] _cell_length_b [10.4525] _cell_length_c [7.0008] _cell_...	0.829	0.269	0.282	0.1933
MP	Ca4Al6SO12	data_[Ca8Al12S2O24] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [9.0966] _cell_length_b [9.09...	3.725	0.0	0.6003	0.0
MP	Ba2CaP4(H3O8)2	data_[Ba4Ca2P8H12O32] 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 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...	5.683	0.0	0.7053	0.0

MP

Ag2BiO3

data_[Ag8Bi4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [6.1236] _cell_length_b [6.3594] _cell_length_c [11.3846] _cell...

0.505

0.001

0.2064

0.0024

MP

Eu2MgSe4

data_[Eu16Mg8Se32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Mg 1.3100 1.5000 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pca2_1] _cell_length_a [13.8754] _cell_length_b [8.1856] _cell_length_c [13.194...

0.01

0.115

0.0106

0.1033

MP

Sr2TaN3

data_[Sr16Ta8N24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ta 1.5000 1.4500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [6.0751] _cell_length_b [11.3495] _cell_length_c [12.6759] _...

2.466

0.0

0.5024

0.0

MP

LaPr3Al4O12

data_[La3Pr9Al12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pr 1.1300 1.8500 1.0600 Al 1.6100 1.2500 0.6750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [5.3814] _cell_length_b [5.38...

3.908

0.002

0.612

0.0042

MP

CeSe2

data_[Ce4Se8] 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 [Pm] _cell_length_a [7.5180] _cell_length_b [8.9087] _cell_length_c [8.3368] _cell_angle_alpha [90.0000] _cell_ang...

0.63

0.521

0.238

0.3038

MP

Li2SnP2O7

data_[Li4Sn2P4O14] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.3713] _cell_length_b [7.0201]...

3.773

0.037

0.6034

0.0429

MP

Li15H9N8

data_[Li30H18N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a [7.1860] _cell_length_b [10.4177] _cell_length_c [7.1858] _cell...

2.697

0.006

0.5232

0.0101

MP

Co(Mo3O17)2

data_[Co2Mo12O68] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [11.8137] _cell_length_b [11.1648] _cell_length_c [12.1189...

0.014

0.452

0.0138

0.2766

MP

AlF3

data_[Al16F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [10.3266] _cell_length_b [10.3266] _cell_length_c [7.2758] _cell_angle_alpha [90.0000] _ce...

7.403

0.014

0.7726

0.0199

MP

Cs3GeTe3

data_[Cs24Ge8Te24] 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 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.4629] _cell_length_b [14.7146] _cell_length_c [10.4499...

1.196

0.0

0.3484

0.0

MP

Si9C10NO18

data_[Si36C40N4O72] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 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 [Cm] _cell_length_a [16.9427] _cell_length_b [13.2945...

0.008

0.573

0.0088

0.3232

MP

TlP(HO2)2

data_[Tl4P4H8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 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 [Pbcn] _cell_length_a [4.5096] _cell_length_b [14.4363]...

3.988

0.009

0.617

0.014

MP

BHO2

data_[B12H12O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ B 2.0400 0.8500 0.4100 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.9259] _cell_length_b [8.8737] _cell_length_c [7.4607] _cel...

6.279

0.0

0.7306

0.0

MP

NdH10C21O11F15

data_[Nd2H20C42O22F30] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [...

3.46

0.283

0.5824

0.2004

MP

Li2ScP2HO8

data_[Li4Sc2P4H2O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Sc 1.3600 1.6000 0.8850 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [...

4.766

0.0

0.6612

0.0

MP

In2H5(SeO4)3

data_[In4H10Se6O24] 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 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.1064] _cell_length_b [11.382...

1.905

0.432

0.4445

0.2684

MP

Li3MnFe3O8

data_[Li6Mn2Fe6O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.2987] _cell_length_b [5.9...

0.336

0.08

0.1567

0.0783

MP

TiAs2Pb2O9

data_[Ti4As8Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 As 2.1800 1.1500 0.6600 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 [7.0120] _cell_length_b [16...

2.622

0.014

0.5166

0.0199

MP

Li2Cr2O7

data_[Li8Cr8O28] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [6.7430] _cell_length_b [8.3705] _cell_length_c [9.6291] _c...

2.462

0.024

0.502

0.0305

MP

LiNiPO4

data_[Li4Ni4P4O16] 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 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.4946] _cell_length_b [6.2396]...

3.349

0.06

0.5745

0.0626

MP

KCo(CO)4

data_[K8Co8C32O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [22.3784] _cell_length_b [5.7906...

3.803

0.358

0.6054

0.2361

MP

H3NCl

data_[H24N8Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ H 2.2000 0.2500 0.0000 N 3.0400 0.6500 0.6300 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Pa-3] _cell_length_a [7.9112] _cell_length_b [7.9112] _cell_length_c [7.9112] _cell_...

5.181

0.067

0.6821

0.0682

MP

LiBeH3

data_[Li4Be4H12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Be 1.5700 1.0500 0.5900 H 2.2000 0.2500 0.0000 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [4.5174] _cell_length_b [6.2766] _cell_length_c [4.3949] _cel...

2.705

0.106

0.5239

0.0971

MP

LiMnP2(HO4)2

data_[Li8Mn8P16H16O64] 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 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [...

1.042

0.031

0.3224

0.0374

MP

ScAg(PSe3)2

data_[Sc2Ag2P4Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ag 1.9300 1.6000 1.0867 P 2.1900 1.0000 0.5500 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [6.5350] _cell_length_b [6.5...

1.644

0.0

0.4128

0.0

MP

LiTl2InF6

data_[Li4Tl8In4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.5680] _cell_length_b [8.5...

4.101

0.0

0.6239

0.0

MP

Rb6Pb5Cl16

data_[Rb24Pb20Cl64] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.7979] _cell_length_b [17.0457] _cell_length_c [11.405...

3.142

0.026

0.5592

0.0325

MP

BiOF

data_[Bi2O2F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.7975] _cell_length_b [3.7975] _cell_length_c [6.2171] _cell...

3.13

0.0

0.5583

0.0

MP

SiO2

data_[Si32O64] 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 [Imma] _cell_length_a [5.2907] _cell_length_b [14.1136] _cell_length_c [26.1866] _cell_angle_alpha [90.0000] _cell...

5.462

0.023

0.6953

0.0295

MP

CeAsRh

data_[Ce4As4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 As 2.1800 1.1500 0.6600 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.5695] _cell_length_b [4.3991] _cell_length_c [7.3262] _ce...

0.026

0.0

0.0225

0.0

MP

Te3WCl4O

data_[Te48W16Cl64O16] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.4433] _cell_length_b [1...

1.131

0.044

0.3377

0.0492

MP

K4WS3O14

data_[K16W4S12O56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 W 2.3600 1.3500 0.7667 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [9.6600] _cell_length_b [14.283...

3.44

0.007

0.581

0.0115

MP

Ta2Ni3S8

data_[Ta4Ni6S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Ni 1.9100 1.3500 0.7400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Pbam] _cell_length_a [10.1730] _cell_length_b [14.2200] _cell_length_c [3.3463] _c...

0.526

0.0

0.212

0.0

MP

MoW2(Se2S)2

data_[Mo1W2Se4S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 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 [3.2745] _cell_length_b [3.2745]...

0.723

0.096

0.2594

0.09

MP

K3FeF6

data_[K12Fe4F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.9284] _cell_length_b [8.9284] _cell_length_c [8.9284] _cel...

4.141

0.0

0.6263

0.0

MP

Ni(ClO)2

data_[Ni4Cl8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ni 1.9100 1.3500 0.7400 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.4560] _cell_length_b [6.7722] _cell_length_c [6.6816] _cel...

0.724

0.397

0.2596

0.2535

MP

Na3MgC2ClO6

data_[Na48Mg16C32Cl16O96] 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 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_len...

3.806

0.012

0.6056

0.0176

MP

CaZnSiO5

data_[Ca4Zn4Si4O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Zn 1.6500 1.3500 0.8800 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [5.0613] _cell_length_b [16.187...

0.178

0.244

0.0993

0.1802

MP

La4Mn5(Si2O11)2

data_[La8Mn10Si8O44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.1589] _cell_length_b [5....

1.012

0.096

0.317

0.09

MP

Ti5ZnBi2(Pb2O9)2

data_[Ti10Zn2Bi4Pb8O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Zn 1.6500 1.3500 0.8800 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cm] _cell_length_...

1.948

0.018

0.4493

0.0243

MP

Na2CaPb3(CO3)5

data_[Na8Ca4Pb12C20O60] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Pb 2.3300 1.8000 1.1225 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a...

3.744

0.0

0.6016

0.0

MP

NaCaAlF6

data_[Na8Ca8Al8F48] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ca 1.0000 1.8000 1.1400 Al 1.6100 1.2500 0.6750 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.8605] _cell_length_b [5....

6.906

0.011

0.7548

0.0164

MP

Li4Ti3V2(Fe2O9)2

data_[Li8Ti6V4Fe8O36] 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 V 1.6300 1.3500 0.7775 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length...

1.548

0.099

0.4002

0.0922

MP

Na2AsP(H4O5)2

data_[Na4As2P2H16O20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 As 2.1800 1.1500 0.6600 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a ...

4.088

0.012

0.6231

0.0176

MP

TiCuB

data_[Ti4Cu4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Cu 1.9000 1.3500 0.8200 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.2367] _cell_length_b [5.2367] _cell_length_c [5.2367] _cel...

0.179

0.372

0.0997

0.2424

MP

KHCO2

data_[K4H4C4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 H 2.2000 0.2500 0.0000 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [5.9312] _cell_length_b [6.9512] _ce...

4.333

0.087

0.6375

0.0835

MP

NiSn(ClO)6

data_[Ni3Sn3Cl18O18] 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 Cl 3.1600 1.0000 0.7800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [10.5270] _cell_length_b [10....

0.417

1.04

0.1817

0.4645

MP

CsPbBr3

data_[Cs4Pb4Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pb 2.3300 1.8000 1.1225 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.4471] _cell_length_b [8.4471] _cell_length_c [11.9813]...

1.818

0.007

0.4343

0.0115

MP

YV(SeO4)2

data_[Y4V4Se8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 V 1.6300 1.3500 0.7775 Se 2.5500 1.1500 1.0133 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Aem2] _cell_length_a [10.7438] _cell_length_b [7.3686]...

1.322

0.016

0.368

0.0221

MP

CaCeAlFe2Si3O13

data_[Ca2Ce2Al2Fe4Si6O26] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 ] _symmetry_space_gr...

0.308

0.055

0.1474

0.0585

MP

K2PrPCO7

data_[K4Pr2P2C2O14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 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 [...

4.414

0.037

0.6421

0.0429

MP

Li2CoNi3O8

data_[Li8Co4Ni12O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4_32_12] _cell_length_a [8.0455] _cell_length_b ...

0.019

0.218

0.0176

0.1661

MP

Li5Mn3Cu2(PO4)6

data_[Li5Mn3Cu2P6O24] 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 Cu 1.9000 1.3500 0.8200 P 2.1900 1.0000 0.5500 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [...

0.45

0.072

0.1912

0.0722

MP

K2AlF5

data_[K2Al1F5] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [6.0370] _cell_length_b [6.0370] _cell_length_c [3.7518] _cell...

6.324

0.0

0.7324

0.0

MP

As2Ru

data_[As4Ru2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ As 2.1800 1.1500 0.6600 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [5.4921] _cell_length_b [6.2499] _cell_length_c [3.0152] _cell_angle_alpha [90.0000] _cell_a...

0.449

0.0

0.1909

0.0

MP

Ca8Mo7O20

data_[Ca16Mo14O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/m] _cell_length_a [8.6501] _cell_length_b [8.6501] _cell_length_c [12.2165] _...

1.146

0.124

0.3402

0.1093

MP

Cs2TlSbI6

data_[Cs8Tl4Sb4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [12.7208] _cell_length_b [12...

0.937

0.023

0.3032

0.0295

MP

Na3HoTi2Nb2O12

data_[Na3Ho1Ti2Nb2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ho 1.2300 1.7500 1.0410 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 [P1] _cell_length_a...

2.615

0.015

0.516

0.021

MP

LaAl2Si5N9O

data_[La4Al8Si20N36O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pc] _cell_length_a ...

2.133

0.151

0.4695

0.1268

MP

Li6MnNi7O16

data_[Li12Mn2Ni14O32] 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 Ni 1.9100 1.3500 0.7400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.4498] _cell_length_b [7.6...

0.179

0.029

0.0997

0.0354

MP

NbO2F

data_[Nb6O12F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [P-1] _cell_length_a [5.5628] _cell_length_b [5.6791] _cell_length_c [13.8383] _cell_...

1.308

0.047

0.3659

0.0518

MP

Zn3Cu2(SiO4)3

data_[Zn24Cu16Si24O96] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [11.7477] _cell_length_b ...

0.417

0.186

0.1817

0.1479

MP

NaAlSi2H2O7

data_[Na16Al16Si32H32O112] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Al 1.6100 1.2500 0.6750 Si 1.9000 1.1000 0.5400 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/c] _cell_len...

4.754

0.039

0.6605

0.0447

MP

SbAsO4

data_[Sb2As2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sb 2.0500 1.4500 0.8300 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [4.9445] _cell_length_b [7.1093] _cell_length_c [5.6656] _ce...

3.083

0.011

0.5547

0.0164

MP

Ba(SmSe2)2

data_[Ba4Sm8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sm 1.1700 1.8500 1.2290 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [13.0169] _cell_length_b [4.2948] _cell_length_c [15.4408] ...

1.434

0.0

0.3844

0.0

MP

BaLaCl5

data_[Ba4La4Cl20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 La 1.1000 1.9500 1.1720 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1] _cell_length_a [7.1333] _cell_length_b [12.4669] _cell_length_c [9.9779] _...

3.999

0.063

0.6177

0.0651

MP

Sr4SnPbO8

data_[Sr4Sn1Pb1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Sn 1.9600 1.4500 0.8300 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.2090] _cell_length_b [4.2...

1.859

0.067

0.4391

0.0682

MP

BaSiN2

data_[Ba8Si8N16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Si 1.9000 1.1000 0.5400 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.6575] _cell_length_b [11.5923] _cell_length_c [7.6529] _ce...

2.92

0.0

0.5418

0.0

MP

K3UF7

data_[K24U8F56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 U 1.3800 1.7500 0.9913 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [9.3850] _cell_length_b [9.3850] _cell_length_c [18.4645] _cel...

0.599

0.001

0.2305

0.0024

MP

CsPrS2

data_[Cs3Pr3S6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.2876] _cell_length_b [4.2876] _cell_length_c [24.3070] _cel...

2.161

0.002

0.4724

0.0042

MP

MnH2(CO2)2

data_[Mn4H8C8O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 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 [Pbcn] _cell_length_a [7.6437] _cell_length_b [9.6472] ...

2.429

0.133

0.4989

0.1153

MP

ScTaO4

data_[Sc2Ta2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Ta 1.5000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/c] _cell_length_a [4.8480] _cell_length_b [5.7491] _cell_length_c [5.1552] _cell...

4.028

0.0

0.6195

0.0

MP

RbNO3

data_[Rb3N3O9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [6.1601] _cell_length_b [6.1601] _cell_length_c [9.2590] _cell_an...

2.981

0.021

0.5467

0.0275

MP

Na5Tm4Si4O16F

data_[Na10Tm8Si8O32F2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Tm 1.2500 1.7500 1.0950 Si 1.9000 1.1000 0.5400 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a...

4.801

0.0

0.663

0.0

MP

LiV24O58

data_[Li1V24O58] 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 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [7.3477] _cell_length_b [10.9408] _cell_length_c [14.3382] _cell...

0.081

0.037

0.0548

0.0429

MP

Cs2KPrI6

data_[Cs8K4Pr4I24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 K 0.8200 2.2000 1.5200 Pr 1.1300 1.8500 1.0600 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [13.0509] _cell_length_b [13.0...

3.233

0.005

0.5661

0.0088

MP

YEr(FeO3)2

data_[Y2Er2Fe4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 Fe 1.8300 1.4000 0.8525 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [7.7084] _cell_length_b [5.32...

1.589

0.015

0.4056

0.021

MP

NaDyO2

data_[Na4Dy4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Dy 1.2200 1.7500 1.1310 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [4.6292] _cell_length_b [4.6292] _cell_length_c [10.3794] ...

4.017

0.001

0.6188

0.0024

MP

CaH8(BrO6)2

data_[Ca2H16Br4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 H 2.2000 0.2500 0.0000 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [5.6906] _cell_length_b [8.1681...

3.137

0.0

0.5589

0.0

MP

K2Ti8O17

data_[K4Ti16O34] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ti 1.5400 1.4000 0.8517 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.9146] _cell_length_b [3.8072] _cell_length_c [12.1089] _ce...

2.783

0.011

0.5305

0.0164

MP

MnSn(BO3)2

data_[Mn3Sn3B6O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Sn 1.9600 1.4500 0.8300 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 [4.8334] _cell_length_b [4.8334]...

2.571

0.0

0.512

0.0

MP

Ca3Ti3Cr2O12

data_[Ca24Ti24Cr16O96] 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 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Ia-3d] _cell_length_a [12.6221] _cell_length_b ...

3.091

0.0

0.5553

0.0

MP

Os3C8(SO4)2

data_[Os24C64S16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Os 2.2000 1.3000 0.6730 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 [P2_1/c] _cell_length_a [14.0346] _cell_length_b [12...

1.722

0.161

0.4226

0.133

MP

Nd9Ga5S21

data_[Nd54Ga30S126] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ga 1.8100 1.3000 0.7600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [17.3820] _cell_length_b [17.3820] _cell_length_c [18.3605] ...

1.665

0.0

0.4155

0.0

MP

K4Ni(NO2)6

data_[K12Ni3N18O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ni 1.9100 1.3500 0.7400 N 3.0400 0.6500 0.6300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.6358] _cell_length_b [7.6358]...

2.068

0.119

0.4626

0.106

MP

BaLiGd2(MoO4)4

data_[Ba4Li4Gd8Mo16O64] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Li 0.9800 1.4500 0.9000 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 [C2/c] _cell_lengt...

0.039

0.043

0.031

0.0483

MP

NaSr3RuO6

data_[Na6Sr18Ru6O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sr 0.9500 2.0000 1.3200 Ru 2.2000 1.3000 0.6610 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [9.7295] _cell_length_b [9.7...

0.5

0.0

0.205

0.0

MP

Dy2TeO6

data_[Dy6Te3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P321] _cell_length_a [9.1821] _cell_length_b [9.1821] _cell_length_c [5.2164] _cel...

3.039

0.014

0.5513

0.0199

MP

LaZr2F11

data_[La4Zr8F44] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zr 1.3300 1.5500 0.8600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Ibam] _cell_length_a [7.8949] _cell_length_b [10.2278] _cell_length_c [11.2773] _c...

5.755

0.011

0.7085

0.0164

MP

CoTe2O5

data_[Co8Te16O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Co 1.8800 1.3500 0.7683 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [9.0960] _cell_length_b [12.2720] _cell_length_c [8.6510] _c...

2.502

0.011

0.5057

0.0164

MP

Cs2RbZrOF5

data_[Cs4Rb2Zr2O2F10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a...

4.71

0.006

0.6582

0.0101

MP

CaIn2O4

data_[Ca8In16O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [9.3825] _cell_length_b [9.3825] _cell_length_c [9.3825] _c...

2.021

0.0

0.4575

0.0

MP

TiMn9O20

data_[Ti4Mn36O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Mn 1.5500 1.4000 0.6483 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0985] _cell_length_b [5.8072] _cell_length_c [24.0464] _...

1.675

0.075

0.4167

0.0745

MP

SrCa7Mn6Cr2O20

data_[Sr4Ca28Mn24Cr8O80] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ca 1.0000 1.8000 1.1400 Mn 1.5500 1.4000 0.6483 Cr 1.6600 1.4000 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length...

0.377

0.145

0.1696

0.123

MP

FeBiO3

data_[Fe1Bi1O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [5.4306] _cell_length_b [5.4585] _cell_length_c [5.5240] _cell_a...

1.626

0.438

0.4105

0.2708

MP

Si3CCl7

data_[Si24C8Cl56] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Si 1.9000 1.1000 0.5400 C 2.5500 0.7000 0.3000 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [16.4209] _cell_length_b [9.0190] _cell_length_c [18.1662] _...

4.02

0.064

0.619

0.0659

MP

AgBrO4

data_[Ag4Br4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Br 2.9600 1.1500 0.8825 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1/a] _cell_length_a [5.1814] _cell_length_b [5.1814] _cell_length_c [13.0980] _...

0.874

0.057

0.291

0.0602

MP

V2CdO10

data_[V8Cd4O40] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ 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 [Cc] _cell_length_a [13.3920] _cell_length_b [10.4525] _cell_length_c [7.0008] _cell_...

0.829

0.269

0.282

0.1933

MP

Ca4Al6SO12

data_[Ca8Al12S2O24] 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 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [9.0966] _cell_length_b [9.09...

3.725

0.0

0.6003

0.0

MP

Ba2CaP4(H3O8)2

data_[Ba4Ca2P8H12O32] 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 P 2.1900 1.0000 0.5500 H 2.2000 0.2500 0.0000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_...

5.683

0.0

0.7053

0.0