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train · 592k rows

Database stringclasses 1 value	Reduced Formula stringlengths 1 18	CIF stringlengths 763 1.78k	Density (g/cm^3) stringlengths 3 6	energy_above_hull stringclasses 101 values	norm_Density (g/cm^3) stringlengths 3 6	norm_energy_above_hull stringclasses 101 values
Mattergen	KCuAgSb2	data_[K2Cu2Ag2Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.7041] _cell_length_b [4.70...	5.875	0.05	0.2304	0.5
Mattergen	Ba3(CaPb)4	data_[Ba6Ca8Pb8] 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 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.4131] _cell_length_b [8.5976] _cell_length_c [18.1213] _c...	5.517	0.011	0.2164	0.11
Mattergen	Sr(LaS2)2	data_[Sr4La8S16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 La 1.1000 1.9500 1.1720 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [8.8211] _cell_length_b [8.8211] _cell_length_c [8.7928] _ce...	4.793	0.0	0.188	0.0
Mattergen	CeRuC2	data_[Ce4Ru4C8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ru 2.2000 1.3000 0.6610 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [5.4186] _cell_length_b [5.4527] _cell_length_c [7.8226] _cell_a...	7.729	0.012	0.3032	0.12
Mattergen	Nd2Al3Hg	data_[Nd16Al24Hg8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Al 1.6100 1.2500 0.6750 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [7.7000] _cell_length_b [9.2590] _cell_length_c [16.0746] ...	6.607	0.025	0.2592	0.25
Mattergen	La8GeIr3Br4	data_[La24Ge3Ir9Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.5970] _cell_length_b [8...	6.937	0.068	0.2721	0.68
Mattergen	LiLaSnHg	data_[Li4La4Sn4Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Sn 1.9600 1.4500 0.8300 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4946] _cell_length_b [7....	7.339	0.041	0.2879	0.41
Mattergen	ZrTl2Cd	data_[Zr1Tl2Cd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.6763] _cell_length_b [4.6763] _cell_length_c [4.3310] _...	10.737	0.065	0.4212	0.65
Mattergen	CsGaGe	data_[Cs1Ga1Ge1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.3527] _cell_length_b [4.3527] _cell_length_c [6.1961] _c...	4.496	0.036	0.1764	0.36
Mattergen	Ho5Tl4Zn	data_[Ho5Tl4Zn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Tl 1.6200 1.9000 1.3325 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5977] _cell_length_b [3.5977] _cell_length_c [20.2980] ...	10.793	0.0	0.4234	0.0
Mattergen	KLi2AgF5	data_[K1Li2Ag1F5] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Li 0.9800 1.4500 0.9000 Ag 1.9300 1.6000 1.0867 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.8866] _cell_length_b [3.886...	3.734	0.092	0.1465	0.92
Mattergen	TlNi2SbO6	data_[Tl3Ni6Sb3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ni 1.9100 1.3500 0.7400 Sb 2.0500 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.3507] _cell_length_b [5.3507...	7.574	0.009	0.2971	0.09
Mattergen	ErAl3Cu2	data_[Er4Al12Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [9.4806] _cell_length_b [7.9930] _cell_length_c [5.3300] _c...	6.172	0.096	0.2421	0.96
Mattergen	Ca2Tb(SmTe2)3	data_[Ca4Tb2Sm6Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Tb 1.1000 1.7500 0.9815 Sm 1.1700 1.8500 1.2290 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5943] _cell_length_b [13...	6.486	0.037	0.2544	0.37
Mattergen	Y3CoPd	data_[Y6Co2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Co 1.8800 1.3500 0.7683 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.7067] _cell_length_b [3.9165] _cell_length_c [8.3021] _ce...	6.017	0.025	0.236	0.25
Mattergen	Mg3AgPd2	data_[Mg3Ag1Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mg 1.3100 1.5000 0.8600 Ag 1.9300 1.6000 1.0867 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.1935] _cell_length_b [3.1935] _cell_length_c [10.0120] ...	6.401	0.049	0.2511	0.49
Mattergen	Nd2MgZn3Pt4	data_[Nd2Mg1Zn3Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mg 1.3100 1.5000 0.8600 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1565] _cell_length_b [4....	10.936	0.045	0.429	0.45
Mattergen	Na2O	data_[Na4O2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [5.1116] _cell_length_b [5.4035] _cell_length_c [3.6888] _cell_angle_alpha [90.0000] _cell_ang...	2.02	0.038	0.0792	0.38
Mattergen	Sr3In8Sn3	data_[Sr6In16Sn6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 In 1.7800 1.5500 0.9400 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [5.0222] _cell_length_b [11.4907] _cell_length_c [14.4858] ...	6.108	0.029	0.2396	0.29
Mattergen	Ca2Cu4As3Au	data_[Ca2Cu4As3Au1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1482] _cell_length_b [4....	6.971	0.041	0.2734	0.41
Mattergen	BaEuBr4	data_[Ba4Eu4Br16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Eu 1.2000 1.8500 1.1985 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [10.0177] _cell_length_b [14.1435] _cell_length_c [7.5593] ...	4.603	0.041	0.1806	0.41
Mattergen	Yb	data_[Yb9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.8790] _cell_length_b [3.8790] _cell_length_c [28.3277] _cell_angle_alpha [90.0000] _cell_angle_beta [90.0000] _cell_angle...	7.006	0.0	0.2748	0.0
Mattergen	CrCuNi2	data_[Cr1Cu1Ni2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cr 1.6600 1.4000 0.9400 Cu 1.9000 1.3500 0.8200 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [2.5161] _cell_length_b [3.4952] _cell_length_c [5.1117] _ce...	8.604	0.084	0.3375	0.84
Mattergen	Tm8Tl2Bi	data_[Tm16Tl4Bi2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Tl 1.6200 1.9000 1.3325 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.9382] _cell_length_b [4.8997] _cell_length_c [8.0524] _...	10.504	0.075	0.412	0.75
Mattergen	RbInGe2F6	data_[Rb4In4Ge8F24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 In 1.7800 1.5500 0.9400 Ge 2.0100 1.2500 0.7700 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.0834] _cell_length_b [12.9...	3.602	0.057	0.1413	0.57
Mattergen	Na2ErF6	data_[Na2Er1F6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Er 1.2400 1.7500 1.0300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [5.8004] _cell_length_b [5.8004] _cell_length_c [4.7609] _cel...	3.917	0.093	0.1536	0.93
Mattergen	Lu2ZnNi	data_[Lu8Zn4Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Zn 1.6500 1.3500 0.8800 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.7700] _cell_length_b [6.7700] _cell_length_c [6.7700] _c...	10.147	0.039	0.398	0.39
Mattergen	RbNa2TiF8	data_[Rb1Na2Ti1F8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Ti 1.5400 1.4000 0.8517 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [4.9164] _cell_length_b [5.1732...	2.832	0.031	0.1111	0.31
Mattergen	Ba3SrCl8	data_[Ba6Sr2Cl16] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [7.3293] _cell_length_b [7.3293] _cell_length_c [14.6606]...	3.303	0.006	0.1296	0.06
Mattergen	PrYZnPt	data_[Pr4Y4Zn4Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Y 1.2200 1.8000 1.0400 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.2160] _cell_length_b [7.21...	8.668	0.086	0.34	0.86
Mattergen	Tb4SmMgS8	data_[Tb12Sm3Mg3S24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Sm 1.1700 1.8500 1.2290 Mg 1.3100 1.5000 0.8600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [8.0239] _cell_length_b [8.02...	4.835	0.089	0.1897	0.89
Mattergen	Hf3(AlCu2)2	data_[Hf3Al2Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.4564] _cell_length_b [4.4564] _cell_length_c [8.2459] _c...	9.878	0.098	0.3875	0.98
Mattergen	K4Ag3AuBr12	data_[K8Ag6Au2Br24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ag 1.9300 1.6000 1.0867 Au 2.5400 1.3500 1.0700 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [10.8745] _cell_length_b [10...	4.225	0.027	0.1657	0.27
Mattergen	NdMnFeP2	data_[Nd2Mn2Fe2P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Mn 1.5500 1.4000 0.6483 Fe 1.8300 1.4000 0.8525 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.9052] _cell_length_b [3.90...	6.931	0.011	0.2719	0.11
Mattergen	Y2AlNi2	data_[Y4Al2Ni4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Y 1.2200 1.8000 1.0400 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.1878] _cell_length_b [5.4028] _cell_length_c [8.3884] _cell...	5.638	0.0	0.2212	0.0
Mattergen	TiMnCoSi	data_[Ti4Mn4Co4Si4] 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 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.7218] _cell_length_b [5....	6.731	0.0	0.264	0.0
Mattergen	K2Pd2RhO6	data_[K4Pd4Rh2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Pd 2.2000 1.4000 0.8462 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.6657] _cell_length_b [9.3927...	5.071	0.031	0.1989	0.31
Mattergen	Ba2HoAuO6	data_[Ba8Ho4Au4O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Ho 1.2300 1.7500 1.0410 Au 2.5400 1.3500 1.0700 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [8.4727] _cell_length_b [8.4...	8.0	0.0	0.3138	0.0
Mattergen	Sr3Ca(SnO3)4	data_[Sr3Ca1Sn4O12] 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 Sn 1.9600 1.4500 0.8300 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pm] _cell_length_a [5.7477] _cell_length_b [8.1437...	5.929	0.01	0.2326	0.1
Mattergen	K3Tb2BiS6	data_[K6Tb4Bi2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Tb 1.1000 1.7500 0.9815 Bi 2.0200 1.6000 1.0350 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1119] _cell_length_b [12.318...	4.3	0.0	0.1687	0.0
Mattergen	KCr2InO8	data_[K3Cr6In3O24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Cr 1.6600 1.4000 0.9400 In 1.7800 1.5500 0.9400 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [5.2870] _cell_length_b [5.2870]...	3.37	0.0	0.1322	0.0
Mattergen	Ca5AgO6	data_[Ca10Ag2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Ag 1.9300 1.6000 1.0867 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0061] _cell_length_b [10.0917] _cell_length_c [6.0046] _c...	3.977	0.037	0.156	0.37
Mattergen	DyNi8Rh3	data_[Dy1Ni8Rh3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ni 1.9100 1.3500 0.7400 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P3m1] _cell_length_a [4.7523] _cell_length_b [4.7523] _cell_length_c [7.7587] _ce...	10.295	0.087	0.4038	0.87
Mattergen	Sc3ZnGa3Ge2	data_[Sc3Zn1Ga3Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Zn 1.6500 1.3500 0.8800 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [6.9047] _cell_length_b [6....	5.672	0.08	0.2225	0.8
Mattergen	Er4AlCu	data_[Er16Al4Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [8.6546] _cell_length_b [13.4437] _cell_length_c [5.5746] _...	8.313	0.096	0.3261	0.96
Mattergen	La3CdIr	data_[La6Cd2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Cd 1.6900 1.5500 1.0900 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [4.8932] _cell_length_b [7.3135] _cell_length_c [8.8088] _ce...	7.6	0.073	0.2981	0.73
Mattergen	Tb2AgGe2	data_[Tb8Ag4Ge8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ag 1.9300 1.6000 1.0867 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.9593] _cell_length_b [4.3703] _cell_length_c [10.3525] _...	8.634	0.063	0.3387	0.63
Mattergen	PrSc(CuSi)2	data_[Pr1Sc1Cu2Si2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1845] _cell_length_b [4....	5.598	0.0	0.2196	0.0
Mattergen	Ca2Zn3HgAu4	data_[Ca2Zn3Hg1Au4] 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 Hg 2.0000 1.5000 1.2450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.4538] _cell_length_b [4....	9.569	0.064	0.3753	0.64
Mattergen	Sc2Ta(TiN2)3	data_[Sc4Ta2Ti6N12] 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 Ti 1.5400 1.4000 0.8517 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.3467] _cell_length_b [9.25...	6.672	0.042	0.2617	0.42
Mattergen	Ce4PbAu	data_[Ce16Pb4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Pb 2.3300 1.8000 1.1225 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [9.0569] _cell_length_b [13.0124] _cell_length_c [5.8170] _...	10.081	0.066	0.3954	0.66
Mattergen	Tb2GaPPt6	data_[Tb4Ga2P2Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ga 1.8100 1.3000 0.7600 P 2.1900 1.0000 0.5500 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Pmmn] _cell_length_a [5.5647] _cell_length_b [8.56...	13.565	0.078	0.5321	0.78
Mattergen	K2DyYS4	data_[K2Dy1Y1S4] 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 Y 1.2200 1.8000 1.0400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.0224] _cell_length_b [4.0543] _...	3.623	0.0	0.1421	0.0
Mattergen	Tm4In5Cu2	data_[Tm4In5Cu2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.6604] _cell_length_b [3.5122] _cell_length_c [9.4688] _ce...	8.998	0.033	0.3529	0.33
Mattergen	NdEr3Co	data_[Nd1Er3Co1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Er 1.2400 1.7500 1.0300 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [5.2576] _cell_length_b [5.2576] _cell_length_c [5.2576] _c...	8.055	0.093	0.316	0.93
Mattergen	CeErCo4	data_[Ce4Er4Co16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Er 1.2400 1.7500 1.0300 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.0810] _cell_length_b [7.0810] _cell_length_c [7.0810] _...	10.16	0.028	0.3985	0.28
Mattergen	NaTmAs2O7	data_[Na2Tm2As4O14] 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 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [7.2076] _cell_length_b [9.1769...	4.668	0.002	0.1831	0.02
Mattergen	Rb2ZrInI6	data_[Rb12Zr6In6I36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 In 1.7800 1.5500 0.9400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.3907] _cell_length_b [8.3...	3.712	0.08	0.1456	0.8
Mattergen	SrB2IrRh	data_[Sr2B4Ir2Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 B 2.0400 0.8500 0.4100 Ir 2.2000 1.3500 0.7650 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [3.9232] _cell_length_b [3.92...	8.199	0.051	0.3216	0.51
Mattergen	PrBiPt4	data_[Pr4Bi4Pt16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Bi 2.0200 1.6000 1.0350 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.8039] _cell_length_b [7.8039] _cell_length_c [7.8039] _...	15.796	0.054	0.6196	0.54
Mattergen	CdHg	data_[Cd4Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4_2/mnm] _cell_length_a [5.9510] _cell_length_b [5.9510] _cell_length_c [5.9969] _cell_angle_alpha [90.0000] _ce...	9.789	0.033	0.384	0.33
Mattergen	InAgHgCl4	data_[In4Ag4Hg4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5181] _cell_length_b [7...	4.051	0.048	0.1589	0.48
Mattergen	SrCa3Zn8	data_[Sr3Ca9Zn24] 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 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.5500] _cell_length_b [5.5500] _cell_length_c [28.5195] _c...	4.787	0.06	0.1878	0.6
Mattergen	Rb3Dy3HoTe8	data_[Rb9Dy9Ho3Te24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Dy 1.2200 1.7500 1.1310 Ho 1.2300 1.7500 1.0410 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.8106] _cell_length_b [8....	5.389	0.028	0.2114	0.28
Mattergen	HoPPd	data_[Ho4P4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 P 2.1900 1.0000 0.5500 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.8955] _cell_length_b [4.0035] _cell_length_c [7.7437] _cell...	9.394	0.0	0.3685	0.0
Mattergen	Li3Ce3AlSe8	data_[Li6Ce6Al2Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.4191] _cell_length_b [8...	4.813	0.095	0.1888	0.95
Mattergen	Sm2TlN	data_[Sm6Tl3N3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Tl 1.6200 1.9000 1.3325 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.6477] _cell_length_b [3.6477] _cell_length_c [24.2796] _cel...	9.243	0.066	0.3626	0.66
Mattergen	PrCdAg	data_[Pr3Cd3Ag3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [8.1047] _cell_length_b [8.1047] _cell_length_c [4.0286] _c...	7.851	0.0	0.308	0.0
Mattergen	RbTlS2	data_[Rb1Tl1S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P1] _cell_length_a [4.4860] _cell_length_b [5.3062] _cell_length_c [5.9992] _cell_a...	4.393	0.069	0.1723	0.69
Mattergen	MoOF3	data_[Mo4O4F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mo 2.1600 1.4500 0.7750 O 3.4400 0.6000 1.2600 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [8.8403] _cell_length_b [5.6375] _cell_length_c [5.5846] _cell_...	4.032	0.066	0.1582	0.66
Mattergen	Tl(AgSe)3	data_[Tl6Ag18Se18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3] _cell_length_a [7.4786] _cell_length_b [7.4786] _cell_length_c [22.6483] _...	6.947	0.067	0.2725	0.67
Mattergen	BaLa(MgSn)2	data_[Ba1La1Mg2Sn2] 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 Mg 1.3100 1.5000 0.8600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.0711] _cell_length_b [5....	4.989	0.043	0.1957	0.43
Mattergen	Sn7(SI3)2	data_[Sn14S4I12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 S 2.5800 1.0000 0.8800 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.6630] _cell_length_b [4.4660] _cell_length_c [17.9802] _ce...	5.017	0.091	0.1968	0.91
Mattergen	Rb2NaSnF5	data_[Rb8Na4Sn4F20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Na 0.9300 1.8000 1.1600 Sn 1.9600 1.4500 0.8300 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.9615] _cell_length_b [17...	3.641	0.082	0.1428	0.82
Mattergen	Pr4Nd2SmY2	data_[Pr8Nd4Sm2Y4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Nd 1.1400 1.8500 1.2765 Sm 1.1700 1.8500 1.2290 Y 1.2200 1.8000 1.0400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.5812] _cell_length_b [5.17...	6.214	0.029	0.2437	0.29
Mattergen	CsCe2AgSe5	data_[Cs4Ce8Ag4Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ce 1.1200 1.8500 1.0800 Ag 1.9300 1.6000 1.0867 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [8.1487] _cell_length_b [...	5.868	0.061	0.2302	0.61
Mattergen	HoGa3Cu	data_[Ho2Ga6Cu2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [5.4902] _cell_length_b [5.7296] _cell_length_c [5.6117] _...	8.238	0.041	0.3231	0.41
Mattergen	CeTlCuS4	data_[Ce2Tl2Cu2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 Cu 1.9000 1.3500 0.8200 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.9987] _cell_length_b [5.2...	5.293	0.069	0.2076	0.69
Mattergen	Li2MgRh	data_[Li2Mg1Rh1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7963] _cell_length_b [3.7963] _cell_length_c [4.2650] _...	3.812	0.078	0.1495	0.78
Mattergen	SmSn2	data_[Sm4Sn8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [4.4905] _cell_length_b [16.6458] _cell_length_c [4.4135] _cell_angle_alpha [90.0000] _cell_...	7.807	0.01	0.3062	0.1
Mattergen	BaZnNi	data_[Ba1Zn1Ni1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Zn 1.6500 1.3500 0.8800 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P-6m2] _cell_length_a [4.3452] _cell_length_b [4.3452] _cell_length_c [4.6775] _c...	5.676	0.073	0.2226	0.73
Mattergen	Sr2GePd6Pb	data_[Sr4Ge2Pd12Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ge 2.0100 1.2500 0.7700 Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.2348] _cell_length_b [5...	7.944	0.057	0.3116	0.57
Mattergen	BaPOs	data_[Ba2P2Os2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 P 2.1900 1.0000 0.5500 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.0945] _cell_length_b [4.0945] _cell_length_c [9.8520] _ce...	7.209	0.052	0.2828	0.52
Mattergen	Rb3Zr(BiTe3)2	data_[Rb6Zr2Bi4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Zr 1.3300 1.5500 0.8600 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.9590] _cell_length_b [13...	5.506	0.045	0.216	0.45
Mattergen	Na3Er2MnTe6	data_[Na6Er4Mn2Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.4498] _cell_length_b [12...	5.567	0.045	0.2184	0.45
Mattergen	Cs3KAu	data_[Cs3K1Au1] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Pmmm] _cell_length_a [5.0780] _cell_length_b [7.3786] _cell_length_c [10.2802] _cel...	2.737	0.025	0.1074	0.25
Mattergen	Tb4Ho3Cd2	data_[Tb8Ho6Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ho 1.2300 1.7500 1.0410 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [14.6597] _cell_length_b [4.8592] _cell_length_c [7.7403] _c...	8.627	0.07	0.3384	0.7
Mattergen	RbNi3(CO3)4	data_[Rb3Ni9C12O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ni 1.9100 1.3500 0.7400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R32] _cell_length_a [9.5944] _cell_length_b [9.5944...	3.753	0.048	0.1472	0.48
Mattergen	LiGaSnCl6	data_[Li1Ga1Sn1Cl6] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P312] _cell_length_a [6.4533] _cell_length_b [6.4...	3.067	0.084	0.1203	0.84
Mattergen	Sm2TmPd	data_[Sm8Tm4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Tm 1.2500 1.7500 1.0950 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.8170] _cell_length_b [12.1243] _cell_length_c [9.6738] _c...	8.547	0.092	0.3353	0.92
Mattergen	RbLi2YI6	data_[Rb3Li6Y3I18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.9642] _cell_length_b [7.9642] ...	3.941	0.052	0.1546	0.52
Mattergen	LiNdDySi	data_[Li4Nd4Dy4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Nd 1.1400 1.8500 1.2765 Dy 1.2200 1.7500 1.1310 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.1568] _cell_length_b [7....	6.193	0.099	0.2429	0.99
Mattergen	K2Ce2RhS6	data_[K4Ce4Rh2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Ce 1.1200 1.8500 1.0800 Rh 2.2800 1.3500 0.7450 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.8414] _cell_length_b [11.478...	3.64	0.072	0.1428	0.72
Mattergen	Rb2CuTe2	data_[Rb4Cu2Te4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cu 1.9000 1.3500 0.8200 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.0183] _cell_length_b [8.3289] _cell_length_c [10.8045] _c...	4.497	0.075	0.1764	0.75
Mattergen	TbCu2Bi2(TeO2)2	data_[Tb2Cu4Bi4Te4O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cu 1.9000 1.3500 0.8200 Bi 2.0200 1.6000 1.0350 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_lengt...	8.163	0.03	0.3202	0.3
Mattergen	LiLa2CuN	data_[Li1La2Cu1N1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 La 1.1000 1.9500 1.1720 Cu 1.9000 1.3500 0.8200 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.0957] _cell_length_b [5.0...	5.771	0.083	0.2264	0.83
Mattergen	HoSiPd2	data_[Ho4Si4Pd8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Si 1.9000 1.1000 0.5400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.3413] _cell_length_b [6.9800] _cell_length_c [5.5392] _ce...	9.497	0.0	0.3725	0.0
Mattergen	Sr(BiPt)4	data_[Sr2Bi8Pt8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Bi 2.0200 1.6000 1.0350 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4_2/n] _cell_length_a [9.3747] _cell_length_b [9.3747] _cell_length_c [5.5972] _...	11.504	0.096	0.4512	0.96
Mattergen	Ba2CdHg	data_[Ba2Cd1Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.9945] _cell_length_b [5.9945] _cell_length_c [4.2839] _...	6.339	0.005	0.2486	0.05
Mattergen	PrSm2YTe6	data_[Pr3Sm6Y3Te18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sm 1.1700 1.8500 1.2290 Y 1.2200 1.8000 1.0400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.8668] _cell_length_b [7.8668...	5.629	0.081	0.2208	0.81

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