Split (2)

train · 592k rows

Database stringclasses 1 value	Reduced Formula stringlengths 1 18	CIF stringlengths 763 1.78k	Condition Vector stringlengths 199 239
Mattergen	Ca2AgIrN	data_[Ca2Ag1Ir1N1] 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 Ir 2.2000 1.3500 0.7650 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.1179] _cell_length_b [5.1...	[0.381,0.39,0.273,0.693,0.675,0.261,0.56,0.474,0.193,0.802,0.533,0.607,0.632,0.894,0.941,0.626,0.862,0.936,0.823,0.994,1.0,0.54,0.443,0.342,0.207,0.186,0.185,0.167,0.155,0.122,0.108,0.102,0.09,0.082,0.08,0.076,0.074,0.074,0.057,0.047]
Mattergen	Pr2HfScAs4	data_[Pr2Hf1Sc1As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Hf 1.3000 1.5500 0.8500 Sc 1.3600 1.6000 0.8850 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.0428] _cell_length_b [4.0...	[0.345,0.345,0.495,0.493,0.615,0.495,0.493,0.719,0.148,0.614,0.298,0.818,0.818,0.611,0.818,0.815,0.816,0.816,0.171,0.912,1.0,0.499,0.375,0.346,0.192,0.187,0.173,0.111,0.097,0.096,0.085,0.081,0.081,0.081,0.081,0.069,0.068,0.068,0.067,0.063]
Mattergen	CsNi(PbCl4)2	data_[Cs1Ni1Pb2Cl8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ni 1.9100 1.3500 0.7400 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-1] _cell_length_a [6.5851] _cell_length_b [7.22...	[0.144,0.324,0.207,0.301,0.351,0.208,0.216,0.286,0.291,0.348,0.242,0.42,0.289,0.386,0.392,0.149,0.217,0.156,0.376,0.422,1.0,0.428,0.386,0.313,0.299,0.297,0.288,0.246,0.245,0.225,0.215,0.21,0.191,0.18,0.178,0.175,0.175,0.169,0.169,0.145]
Mattergen	SrLaGa2	data_[Sr2La2Ga4] 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 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.3851] _cell_length_b [4.5706] _cell_length_c [11.8595] _c...	[0.325,0.404,0.332,0.438,0.407,0.457,0.574,0.335,0.648,0.281,0.645,0.818,0.563,0.61,0.166,0.734,0.726,0.56,0.772,0.576,1.0,0.661,0.518,0.281,0.257,0.249,0.221,0.208,0.175,0.171,0.166,0.163,0.157,0.156,0.149,0.14,0.098,0.098,0.096,0.09]
Mattergen	Rb2CdIn4Bi3	data_[Rb2Cd1In4Bi3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [5.1997] _cell_length_b [5....	[0.307,0.383,0.4,0.29,0.203,0.486,0.698,0.416,0.551,0.145,0.731,0.576,0.641,0.849,0.525,0.923,0.239,0.437,0.601,0.411,1.0,0.948,0.946,0.782,0.427,0.393,0.376,0.355,0.339,0.332,0.284,0.279,0.249,0.186,0.184,0.155,0.138,0.132,0.128,0.11]
Mattergen	Tm3Al8Ag3	data_[Tm6Al16Ag6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.3904] _cell_length_b [9.6995] _cell_length_c [12.6694] _...	[0.387,0.247,0.457,0.415,0.315,0.388,0.203,0.648,0.402,0.313,0.326,0.412,0.612,0.787,0.476,0.383,0.756,0.155,0.376,0.128,1.0,0.329,0.28,0.276,0.25,0.227,0.203,0.157,0.153,0.145,0.137,0.135,0.123,0.122,0.116,0.102,0.102,0.098,0.095,0.092]
Mattergen	K2Zr(AsO3)2	data_[K4Zr2As4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Zr 1.3300 1.5500 0.8600 As 2.1800 1.1500 0.6600 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.0288] _cell_length_b [5.790...	[0.238,0.139,0.344,0.35,0.485,0.249,0.343,0.334,0.509,0.28,0.611,0.716,0.339,0.625,0.614,0.583,0.365,0.595,0.73,0.563,1.0,1.0,0.926,0.77,0.585,0.51,0.483,0.374,0.287,0.24,0.177,0.174,0.159,0.151,0.15,0.129,0.128,0.117,0.113,0.108]
Mattergen	Na2ZnS2	data_[Na8Zn4S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Zn 1.6500 1.3500 0.8800 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [8.9201] _cell_length_b [7.0801] _cell_length_c [6.9017] _ce...	[0.11,0.224,0.482,0.338,0.382,0.364,0.315,0.2,0.458,0.404,0.45,0.381,0.459,0.403,0.467,0.262,0.6,0.178,0.335,0.354,1.0,0.995,0.466,0.438,0.293,0.293,0.291,0.285,0.278,0.263,0.222,0.211,0.209,0.205,0.204,0.196,0.169,0.161,0.15,0.145]
Mattergen	Ce(ScSe2)2	data_[Ce4Sc8Se16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sc 1.3600 1.6000 0.8850 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.9591] _cell_length_b [12.8579] _cell_length_c [13.4606] ...	[0.35,0.373,0.333,0.343,0.457,0.509,0.522,0.269,0.619,0.49,0.17,0.638,0.753,0.848,0.343,0.397,0.519,0.903,0.43,0.51,1.0,0.658,0.595,0.416,0.358,0.291,0.256,0.222,0.2,0.199,0.199,0.171,0.166,0.156,0.135,0.129,0.108,0.108,0.097,0.092]
Mattergen	LaPdPb	data_[La3Pd3Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Pd 2.2000 1.4000 0.8462 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.9099] _cell_length_b [7.9099] _cell_length_c [4.2282] _c...	[0.344,0.374,0.385,0.454,0.701,0.624,0.438,0.475,0.662,0.587,0.905,0.789,0.233,0.806,0.144,0.595,0.787,0.646,0.532,0.737,1.0,0.778,0.638,0.377,0.335,0.325,0.282,0.267,0.168,0.118,0.105,0.095,0.085,0.084,0.08,0.079,0.07,0.07,0.068,0.067]
Mattergen	CsSiHgTe3	data_[Cs4Si4Hg4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Si 1.9000 1.1000 0.5400 Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.7569] _cell_length_b [8...	[0.286,0.292,0.275,0.309,0.147,0.432,0.519,0.119,0.336,0.419,0.471,0.314,0.426,0.137,0.29,0.36,0.17,0.551,0.375,0.357,1.0,0.343,0.28,0.267,0.238,0.201,0.164,0.151,0.146,0.14,0.137,0.133,0.121,0.114,0.11,0.106,0.097,0.095,0.092,0.091]
Mattergen	LaZn4Ru	data_[La4Zn16Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Zn 1.6500 1.3500 0.8800 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4467] _cell_length_b [7.4467] _cell_length_c [7.4467] _...	[0.446,0.378,0.723,0.723,0.467,0.797,0.677,0.95,0.964,0.909,0.23,0.266,0.596,0.839,0.613,0.853,0.853,0.544,-100,-100,1.0,0.464,0.309,0.309,0.247,0.238,0.17,0.106,0.081,0.072,0.019,0.016,0.009,0.005,0.003,0.003,0.003,0.003,-100,-100]
Mattergen	GeCl4	data_[Ge4Cl16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [10.5837] _cell_length_b [7.0282] _cell_length_c [10.6745] _cell_angle_alpha [90.0000] _c...	[0.184,0.191,0.192,0.277,0.169,0.204,0.231,0.493,0.169,0.282,0.299,0.239,0.319,0.314,0.536,0.54,0.484,0.541,0.236,0.316,1.0,0.961,0.838,0.802,0.801,0.742,0.609,0.483,0.478,0.425,0.415,0.385,0.332,0.306,0.232,0.229,0.229,0.226,0.204,0.199]
Mattergen	Er2CrCo2	data_[Er4Cr2Co4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Cr 1.6600 1.4000 0.9400 Co 1.8800 1.3500 0.7683 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [3.7530] _cell_length_b [5.3165] _cell_length_c [8.6881] _ce...	[0.398,0.324,0.392,0.478,0.437,0.442,0.77,0.539,0.682,0.686,0.716,0.375,0.462,0.618,0.681,0.639,0.936,0.909,0.914,0.854,1.0,0.637,0.523,0.452,0.43,0.417,0.349,0.262,0.206,0.204,0.199,0.193,0.125,0.108,0.103,0.098,0.095,0.09,0.089,0.086]
Mattergen	SnAs3	data_[Sn6As18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sn 1.9600 1.4500 0.8300 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.9197] _cell_length_b [7.9197] _cell_length_c [11.0306] _cell_angle_alpha [90.0000] _cell...	[0.341,0.509,0.467,0.624,0.837,0.546,0.269,0.776,0.71,0.913,0.724,0.583,0.942,0.551,0.249,0.969,0.426,0.925,0.23,0.771,1.0,0.343,0.333,0.171,0.137,0.104,0.099,0.093,0.091,0.088,0.072,0.066,0.053,0.045,0.039,0.036,0.035,0.035,0.035,0.034]
Mattergen	Ag4Pt7	data_[Ag8Pt14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.8557] _cell_length_b [2.8057] _cell_length_c [7.0881] _cell_angle_alpha [90.0000] _cell...	[0.435,0.499,0.423,0.425,0.501,0.727,0.729,0.108,0.883,0.862,0.884,0.864,0.144,0.741,0.88,0.711,0.935,0.871,0.905,0.875,1.0,0.673,0.529,0.506,0.31,0.204,0.188,0.147,0.126,0.122,0.121,0.113,0.107,0.107,0.105,0.105,0.104,0.055,0.052,0.049]
Mattergen	NaLi2BiBr6	data_[Na3Li6Bi3Br18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Bi 2.0200 1.6000 1.0350 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.1720] _cell_length_b [7.17...	[0.316,0.414,0.166,0.188,0.486,0.545,0.257,0.335,0.151,0.589,0.429,0.823,0.653,0.38,0.475,0.845,0.439,0.299,0.789,0.304,1.0,0.522,0.411,0.372,0.341,0.225,0.224,0.206,0.161,0.136,0.124,0.114,0.113,0.109,0.106,0.105,0.099,0.088,0.083,0.083]
Mattergen	Pr6Sm3Y2Er	data_[Pr12Sm6Y4Er2] 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 Er 1.2400 1.7500 1.0300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.3641] _cell_length_b [10.9...	[0.332,0.388,0.332,0.338,0.385,0.552,0.559,0.658,0.658,0.661,0.661,0.667,0.69,0.554,0.561,0.818,0.655,0.665,0.69,0.897,1.0,0.664,0.5,0.479,0.337,0.244,0.234,0.143,0.143,0.141,0.141,0.137,0.124,0.121,0.116,0.075,0.073,0.069,0.062,0.059]
Mattergen	RbTaTlBr6	data_[Rb2Ta2Tl2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ta 1.5000 1.4500 0.8200 Tl 1.6200 1.9000 1.3325 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [7.9856] _cell_length_b [7...	[0.388,0.289,0.205,0.147,0.434,0.142,0.41,0.593,0.247,0.323,0.517,0.389,0.46,0.549,0.444,0.6,0.77,0.683,0.757,0.16,1.0,0.967,0.943,0.548,0.438,0.38,0.375,0.27,0.264,0.256,0.253,0.173,0.163,0.152,0.15,0.148,0.139,0.129,0.111,0.104]
Mattergen	KRb2BiO4	data_[K4Rb8Bi4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Rb 0.8200 2.3500 1.6600 Bi 2.0200 1.6000 1.0350 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Imma] _cell_length_a [7.1153] _cell_length_b [7.6063...	[0.312,0.384,0.328,0.155,0.523,0.345,0.171,0.636,0.662,0.593,0.32,0.603,0.422,0.531,0.835,0.646,0.26,0.68,0.571,0.838,1.0,0.979,0.852,0.765,0.673,0.566,0.453,0.308,0.254,0.216,0.204,0.2,0.196,0.176,0.168,0.166,0.164,0.156,0.154,0.153]
Mattergen	RbHgGeIr	data_[Rb2Hg2Ge2Ir2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Hg 2.0000 1.5000 1.2450 Ge 2.0100 1.2500 0.7700 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [4.2492] _cell_length_b [4...	[0.152,0.365,0.579,0.473,0.455,0.305,0.571,0.499,0.797,0.944,0.327,0.33,0.076,0.686,0.816,0.853,0.765,0.706,0.986,0.584,1.0,0.97,0.38,0.358,0.348,0.327,0.238,0.221,0.209,0.193,0.162,0.157,0.143,0.119,0.115,0.114,0.1,0.08,0.074,0.062]
Mattergen	RbLaAu2	data_[Rb1La1Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 La 1.1000 1.9500 1.1720 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.9262] _cell_length_b [3.9262] _cell_length_c [8.3591] _...	[0.347,0.358,0.118,0.441,0.632,0.514,0.695,0.513,0.378,0.252,0.853,0.357,0.85,0.278,0.549,0.75,0.638,0.95,0.847,0.724,1.0,0.766,0.593,0.428,0.368,0.283,0.228,0.164,0.161,0.135,0.129,0.111,0.107,0.1,0.098,0.092,0.086,0.083,0.079,0.078]
Mattergen	Rb2BaAgI5	data_[Rb8Ba4Ag4I20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ba 0.8900 2.1500 1.4900 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [5.0003] _cell_length_b [21...	[0.277,0.279,0.327,0.399,0.493,0.457,0.262,0.434,0.238,0.301,0.498,0.271,0.454,0.11,0.381,0.424,0.647,0.396,0.125,0.272,1.0,0.444,0.437,0.285,0.189,0.177,0.156,0.122,0.119,0.113,0.104,0.101,0.101,0.099,0.093,0.093,0.092,0.091,0.087,0.072]
Mattergen	Cs4Ag3PbCl12	data_[Cs8Ag6Pb2Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ag 1.9300 1.6000 1.0867 Pb 2.3300 1.8000 1.1225 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Im-3m] _cell_length_a [10.6581] _cell_length_b [...	[0.262,0.374,0.461,0.537,0.728,0.605,0.896,0.668,0.841,0.841,0.322,0.95,0.786,0.185,0.13,0.637,0.227,0.349,0.419,0.294,1.0,0.542,0.461,0.37,0.24,0.209,0.161,0.124,0.119,0.119,0.084,0.06,0.057,0.042,0.039,0.028,0.024,0.021,0.02,0.016]
Mattergen	Al3Ag4	data_[Al6Ag8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Al 1.6100 1.2500 0.6750 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.1685] _cell_length_b [2.9763] _cell_length_c [7.1763] _cell_angle_alpha [90.0000] _cell_...	[0.419,0.486,0.418,0.44,0.176,0.273,0.506,0.363,0.707,0.365,0.737,0.836,0.847,0.85,0.693,0.567,0.875,0.72,0.895,0.438,1.0,0.659,0.512,0.425,0.369,0.281,0.266,0.241,0.193,0.181,0.157,0.124,0.12,0.114,0.11,0.108,0.102,0.095,0.094,0.094]
Mattergen	Lu3(Al2Sn)2	data_[Lu3Al4Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 Al 1.6100 1.2500 0.6750 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.3050] _cell_length_b [7.3050] _cell_length_c [4.2559] _c...	[0.359,0.393,0.271,0.477,0.156,0.688,0.418,0.472,0.759,0.631,0.579,0.482,0.771,0.792,0.551,0.608,0.645,0.799,0.877,0.232,1.0,0.348,0.313,0.242,0.215,0.166,0.16,0.158,0.127,0.124,0.124,0.118,0.106,0.105,0.095,0.094,0.092,0.088,0.076,0.063]
Mattergen	LiTbSbRh	data_[Li4Tb4Sb4Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tb 1.1000 1.7500 0.9815 Sb 2.0500 1.4500 0.8300 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.6648] _cell_length_b [6....	[0.424,0.767,0.297,0.257,0.612,0.908,0.501,0.692,0.525,0.977,0.977,0.673,0.96,0.821,0.821,-100,-100,-100,-100,-100,1.0,0.345,0.235,0.188,0.171,0.109,0.094,0.089,0.068,0.045,0.045,0.039,0.029,0.028,0.028,-100,-100,-100,-100,-100]
Mattergen	Na3Sc2InS6	data_[Na6Sc4In2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Sc 1.3600 1.6000 0.8850 In 1.7800 1.5500 0.9400 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.5871] _cell_length_b [11.4...	[0.362,0.147,0.362,0.506,0.532,0.506,0.532,0.656,0.18,0.465,0.305,0.758,0.199,0.656,0.612,0.228,0.881,0.881,0.881,0.173,1.0,0.631,0.5,0.332,0.319,0.166,0.159,0.156,0.108,0.106,0.1,0.091,0.087,0.078,0.078,0.066,0.064,0.064,0.064,0.058]
Mattergen	Tb2CdSn	data_[Tb8Cd4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Cd 1.6900 1.5500 1.0900 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.5111] _cell_length_b [7.5111] _cell_length_c [7.5111] _c...	[0.375,0.671,0.539,0.899,0.789,0.263,0.607,0.463,0.845,0.845,0.954,0.831,0.716,0.716,0.442,0.591,0.228,0.94,-100,-100,1.0,0.375,0.181,0.164,0.116,0.025,0.011,0.008,0.005,0.005,0.003,0.0,0.0,0.0,0.0,0.0,0.0,0.0,-100,-100]
Mattergen	Tl3Te4	data_[Tl6Te8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.6862] _cell_length_b [4.6985] _cell_length_c [12.9559] _cell_angle_alpha [90.0000] _cell_...	[0.302,0.291,0.405,0.442,0.426,0.522,0.438,0.272,0.501,0.624,0.674,0.697,0.315,0.748,0.657,0.714,0.756,0.518,0.563,0.725,1.0,0.481,0.446,0.279,0.208,0.2,0.175,0.132,0.128,0.126,0.107,0.096,0.079,0.078,0.077,0.075,0.072,0.07,0.058,0.054]
Mattergen	BeCoMo	data_[Be6Co6Mo6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Co 1.8800 1.3500 0.7683 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.0235] _cell_length_b [3.2339] _cell_length_c [10.2839] ...	[0.457,0.459,0.455,0.498,0.633,0.33,0.501,0.52,0.335,0.332,0.513,0.496,0.362,0.363,0.445,0.513,0.511,0.421,0.363,0.322,1.0,0.937,0.748,0.472,0.408,0.341,0.339,0.316,0.27,0.265,0.263,0.242,0.208,0.208,0.2,0.192,0.183,0.182,0.18,0.175]
Mattergen	NaLi2InHg4	data_[Na3Li6In3Hg12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.0211] _cell_length_b [5....	[0.278,0.397,0.394,0.712,0.569,0.49,0.645,0.64,0.714,0.705,0.962,0.956,0.842,0.834,0.903,0.899,0.484,0.241,0.302,0.361,1.0,0.885,0.882,0.32,0.312,0.231,0.21,0.198,0.163,0.151,0.147,0.136,0.102,0.094,0.085,0.079,0.074,0.062,0.047,0.042]
Mattergen	ZnAgBiCl6	data_[Zn2Ag2Bi2Cl12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 Bi 2.0200 1.6000 1.0350 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [6.6826] _cell_length_b [6...	[0.235,0.445,0.339,0.296,0.523,0.489,0.381,0.188,0.162,0.706,0.919,0.298,0.892,0.662,0.527,0.353,0.693,0.466,0.586,0.614,1.0,0.733,0.372,0.355,0.312,0.298,0.292,0.248,0.191,0.175,0.159,0.145,0.124,0.12,0.115,0.112,0.104,0.095,0.084,0.076]
Mattergen	Na3HoF7	data_[Na6Ho2F14] 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 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [8.2484] _cell_length_b [7.9889] _cell_length_c [6.2928] _cell_...	[0.199,0.201,0.323,0.239,0.205,0.319,0.354,0.315,0.399,0.552,0.548,0.505,0.247,0.506,0.488,0.346,0.408,0.407,0.597,0.502,1.0,0.71,0.596,0.383,0.352,0.339,0.256,0.252,0.222,0.203,0.195,0.194,0.188,0.184,0.179,0.169,0.158,0.137,0.132,0.12]
Mattergen	Tb3HoBi4	data_[Tb6Ho2Bi8] 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 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [8.9672] _cell_length_b [12.6603] _cell_length_c [4.4960] _c...	[0.312,0.447,0.313,0.553,0.554,0.446,0.447,0.731,0.733,0.811,0.812,0.646,0.73,0.732,0.966,0.813,0.813,0.648,0.962,0.966,1.0,0.779,0.496,0.213,0.212,0.197,0.195,0.187,0.186,0.14,0.139,0.135,0.094,0.093,0.092,0.069,0.069,0.067,0.023,0.023]
Mattergen	NdMgAg2	data_[Nd4Mg4Ag8] 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 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.1619] _cell_length_b [7.1619] _cell_length_c [7.1619] _c...	[0.394,0.707,0.239,0.567,0.953,0.465,0.834,0.622,0.756,0.756,0.879,0.276,0.998,0.639,0.487,0.894,0.894,-100,-100,-100,1.0,0.345,0.212,0.172,0.151,0.114,0.106,0.049,0.036,0.036,0.036,0.025,0.014,0.007,0.007,0.003,0.003,-100,-100,-100]
Mattergen	K2Er(OsO4)3	data_[K6Er3Os9O36] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3419] _cell_length_b [7.3419...	[0.164,0.33,0.315,0.161,0.317,0.324,0.552,0.381,0.312,0.544,0.652,0.503,0.655,0.645,0.419,0.501,0.896,0.772,0.911,0.569,1.0,0.814,0.657,0.462,0.415,0.327,0.323,0.287,0.277,0.275,0.251,0.206,0.132,0.125,0.106,0.102,0.101,0.096,0.092,0.092]
Mattergen	ZnAg2	data_[Zn2Ag4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [2.9055] _cell_length_b [2.9055] _cell_length_c [12.0407] _cell_angle_alpha [90.0000] _cel...	[0.425,0.49,0.857,0.722,0.502,0.712,0.875,0.91,0.352,0.33,0.698,0.6,0.163,0.802,0.814,0.885,0.519,0.876,0.735,0.685,1.0,0.334,0.233,0.187,0.147,0.103,0.099,0.096,0.047,0.031,0.022,0.021,0.017,0.009,0.008,0.004,0.003,0.001,0.001,0.001]
Mattergen	LiAl2Zn	data_[Li2Al4Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [C2] _cell_length_a [5.6590] _cell_length_b [5.6763] _cell_length_c [4.8358] _cell...	[0.432,0.503,0.247,0.427,0.439,0.274,0.278,0.503,0.35,0.351,0.725,0.742,0.447,0.456,0.561,0.874,0.876,0.882,0.884,0.89,1.0,0.641,0.556,0.518,0.477,0.473,0.462,0.319,0.231,0.229,0.207,0.192,0.133,0.124,0.118,0.117,0.117,0.115,0.114,0.112]
Mattergen	CaTb3N4	data_[Ca1Tb3N4] 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 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [Pm-3m] _cell_length_a [4.9403] _cell_length_b [4.9403] _cell_length_c [4.9403] _cel...	[0.348,0.404,0.582,0.693,0.983,0.952,0.199,0.727,0.283,0.454,0.858,0.499,0.62,0.62,0.794,0.657,0.89,0.89,0.761,0.921,1.0,0.775,0.527,0.445,0.235,0.19,0.177,0.175,0.157,0.094,0.081,0.072,0.049,0.049,0.038,0.033,0.029,0.029,0.022,0.02]
Mattergen	BaNa3Tl7	data_[Ba2Na6Tl14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Tl 1.6200 1.9000 1.3325 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0473] _cell_length_b [9.3941] _cell_length_c [7.1586] _...	[0.179,0.36,0.322,0.361,0.438,0.356,0.315,0.339,0.138,0.349,0.289,0.448,0.277,0.393,0.575,0.61,0.314,0.588,0.277,0.766,1.0,0.912,0.852,0.737,0.637,0.636,0.576,0.521,0.285,0.263,0.26,0.242,0.222,0.196,0.184,0.175,0.16,0.158,0.156,0.154]
Mattergen	Er2Be15Ni2	data_[Er6Be45Ni6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Be 1.5700 1.0500 0.5900 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.8013] _cell_length_b [7.8013] _cell_length_c [11.3731] _...	[0.253,0.366,0.445,0.38,0.517,0.532,0.521,0.461,0.701,0.261,0.758,0.656,0.767,0.227,0.886,0.587,0.169,0.986,0.6,0.76,1.0,0.343,0.281,0.214,0.209,0.178,0.166,0.144,0.13,0.112,0.095,0.085,0.062,0.058,0.057,0.055,0.054,0.054,0.05,0.045]
Mattergen	CeMnSi	data_[Ce4Mn4Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Mn 1.5500 1.4000 0.6483 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [10.6336] _cell_length_b [4.2934] _cell_length_c [4.7600] _c...	[0.249,0.366,0.336,0.403,0.468,0.484,0.379,0.302,0.446,0.44,0.607,0.657,0.614,0.723,0.65,0.735,0.493,0.565,0.261,0.533,1.0,0.902,0.613,0.565,0.541,0.497,0.444,0.429,0.423,0.395,0.284,0.235,0.222,0.215,0.214,0.195,0.182,0.156,0.151,0.148]
Mattergen	K4Pr3TmO8	data_[K12Pr9Tm3O24] 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 Tm 1.2500 1.7500 1.0950 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2267] _cell_length_b [7.226...	[0.382,0.156,0.334,0.321,0.536,0.561,0.315,0.655,0.492,0.586,0.695,0.632,0.415,0.938,0.9,0.666,0.805,0.913,0.684,0.855,1.0,0.855,0.729,0.346,0.33,0.325,0.314,0.245,0.184,0.183,0.159,0.155,0.133,0.132,0.122,0.108,0.092,0.091,0.073,0.072]
Mattergen	Tm8Ga3SiTe4	data_[Tm24Ga9Si3Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Ga 1.8100 1.3000 0.7600 Si 1.9000 1.1000 0.5400 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.1785] _cell_length_b [8...	[0.334,0.463,0.492,0.605,0.808,0.766,0.694,0.886,0.294,0.554,0.906,0.361,0.824,0.655,0.271,0.283,0.569,0.676,0.41,0.877,1.0,0.386,0.353,0.188,0.158,0.155,0.116,0.116,0.111,0.069,0.06,0.056,0.054,0.042,0.039,0.033,0.033,0.031,0.027,0.021]
Mattergen	Zr2Al2Zn	data_[Zr4Al4Zn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Al 1.6100 1.2500 0.6750 Zn 1.6500 1.3500 0.8800 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [6.6882] _cell_length_b [6.6882] _cell_length_c [4.2339] _...	[0.409,0.38,0.475,0.314,0.332,0.475,0.689,0.68,0.699,0.826,0.423,0.589,0.896,0.631,0.817,0.844,0.233,0.65,0.808,0.69,1.0,0.494,0.376,0.273,0.268,0.246,0.239,0.158,0.15,0.121,0.105,0.104,0.1,0.076,0.068,0.064,0.061,0.057,0.05,0.048]
Mattergen	Hf(ZrCu)2	data_[Hf2Zr4Cu4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Zr 1.3300 1.5500 0.8600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.5891] _cell_length_b [7.5891] _cell_length_c [3.2649] _...	[0.416,0.425,0.403,0.371,0.774,0.771,0.357,0.522,0.654,0.626,0.96,0.6,0.184,0.55,0.639,0.477,0.746,0.854,0.304,0.813,1.0,0.943,0.898,0.376,0.314,0.304,0.284,0.248,0.233,0.178,0.136,0.135,0.134,0.12,0.112,0.108,0.1,0.096,0.088,0.086]
Mattergen	HoPd3	data_[Ho2Pd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.1727] _cell_length_b [4.1727] _cell_length_c [8.1262] _cell_angle_alpha [90.0000] _cell...	[0.419,0.482,0.842,0.711,0.496,0.862,0.7,0.894,0.266,0.243,0.557,0.441,0.337,0.669,0.545,0.61,0.866,0.68,0.94,0.981,1.0,0.335,0.253,0.208,0.155,0.119,0.109,0.108,0.038,0.012,0.012,0.011,0.011,0.007,0.006,0.004,0.003,0.003,0.003,0.003]
Mattergen	Ga2CuO4	data_[Ga16Cu8O32] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Fd-3m] _cell_length_a [8.4482] _cell_length_b [8.4482] _cell_length_c [8.4482] _c...	[0.391,0.691,0.629,0.629,0.332,0.476,0.989,0.989,0.41,0.202,0.817,0.59,0.828,0.957,0.783,0.871,0.726,0.904,0.904,0.521,1.0,0.44,0.373,0.373,0.271,0.19,0.183,0.183,0.142,0.128,0.109,0.093,0.079,0.047,0.035,0.032,0.021,0.013,0.013,0.006]
Mattergen	AgPt7	data_[Ag4Pt28] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ag 1.9300 1.6000 1.0867 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [7.9812] _cell_length_b [7.9812] _cell_length_c [7.9812] _cell_angle_alpha [90.0000] _cell...	[0.434,0.505,0.885,0.736,0.933,0.214,0.415,0.248,0.352,0.553,0.569,0.774,0.669,0.669,0.628,0.787,0.787,0.969,0.969,0.837,1.0,0.491,0.388,0.323,0.114,0.017,0.01,0.009,0.008,0.005,0.005,0.004,0.004,0.004,0.003,0.002,0.002,0.002,0.002,0.002]
Mattergen	CaTeO3	data_[Ca4Te4O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Te 2.1000 1.4000 1.2933 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [6.4723] _cell_length_b [8.4074] _cell_length_c [5.7347] _cel...	[0.331,0.23,0.306,0.557,0.607,0.468,0.347,0.235,0.576,0.389,0.686,0.478,0.786,0.601,0.771,0.88,0.529,0.536,0.915,0.737,1.0,0.372,0.315,0.286,0.231,0.203,0.196,0.155,0.14,0.135,0.121,0.103,0.093,0.09,0.079,0.063,0.061,0.058,0.058,0.056]
Mattergen	SrLi4MgCd2	data_[Sr3Li12Mg3Cd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Li 0.9800 1.4500 0.9000 Mg 1.3100 1.5000 0.8600 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.8562] _cell_length_b [4....	[0.278,0.38,0.411,0.502,0.664,0.246,0.3,0.622,0.57,0.722,0.538,0.547,0.238,0.741,0.334,0.449,0.936,0.221,0.987,0.7,1.0,0.469,0.468,0.199,0.167,0.164,0.161,0.149,0.144,0.138,0.111,0.084,0.083,0.079,0.071,0.067,0.063,0.062,0.06,0.052]
Mattergen	BaNa5Au2	data_[Ba2Na10Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Na 0.9300 1.8000 1.1600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.6544] _cell_length_b [9.5932] _cell_length_c [11.2645] _...	[0.295,0.206,0.419,0.34,0.135,0.175,0.411,0.236,0.43,0.378,0.4,0.607,0.48,0.417,0.602,0.353,0.714,0.457,0.546,0.271,1.0,0.647,0.527,0.327,0.327,0.272,0.249,0.242,0.186,0.183,0.169,0.162,0.154,0.141,0.131,0.13,0.122,0.108,0.1,0.095]
Mattergen	GaPtO4	data_[Ga4Pt4O16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ga 1.8100 1.3000 0.7600 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I4_1md] _cell_length_a [6.4598] _cell_length_b [6.4598] _cell_length_c [6.2455] _c...	[0.307,0.387,0.596,0.22,0.438,0.38,0.762,0.739,0.634,0.717,0.912,0.964,0.816,0.657,0.591,0.604,0.495,0.509,0.944,0.677,1.0,0.852,0.668,0.406,0.243,0.215,0.193,0.16,0.157,0.153,0.138,0.092,0.085,0.079,0.065,0.065,0.053,0.053,0.043,0.043]
Mattergen	LiHgAsS4	data_[Li2Hg2As2S8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Hg 2.0000 1.5000 1.2450 As 2.1800 1.1500 0.6600 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [6.0299] _cell_length_b [6.0299...	[0.192,0.308,0.383,0.531,0.346,0.571,0.483,0.471,0.231,0.62,0.905,0.646,0.388,0.512,0.854,0.329,0.674,0.693,0.543,0.716,1.0,0.711,0.369,0.258,0.241,0.241,0.197,0.182,0.107,0.103,0.096,0.087,0.086,0.081,0.076,0.074,0.074,0.072,0.067,0.065]
Mattergen	Ce2DySnC	data_[Ce2Dy1Sn1C1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Dy 1.2200 1.7500 1.1310 Sn 1.9600 1.4500 0.8300 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.9551] _cell_length_b [4.9...	[0.347,0.403,0.69,0.58,0.403,0.69,0.725,0.58,0.949,0.949,0.979,0.98,0.98,0.855,0.855,0.199,0.282,0.452,0.452,0.618,1.0,0.364,0.287,0.256,0.182,0.144,0.131,0.128,0.122,0.061,0.06,0.06,0.06,0.041,0.021,0.018,0.004,0.004,0.004,0.003]
Mattergen	Ho3Al3CoHg2	data_[Ho3Al3Co1Hg2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Al 1.6100 1.2500 0.6750 Co 1.8800 1.3500 0.7683 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.1795] _cell_length_b [7....	[0.363,0.398,0.276,0.485,0.158,0.697,0.49,0.474,0.773,0.426,0.814,0.618,0.798,0.556,0.59,0.641,0.782,0.652,0.283,0.894,1.0,0.42,0.339,0.303,0.241,0.207,0.186,0.183,0.142,0.139,0.12,0.108,0.107,0.105,0.099,0.089,0.087,0.081,0.078,0.071]
Mattergen	Sm3Rh	data_[Sm12Rh4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.2813] _cell_length_b [9.7659] _cell_length_c [6.4140] _cell_angle_alpha [90.0000] _cell_...	[0.354,0.342,0.375,0.34,0.369,0.33,0.397,0.338,0.412,0.441,0.614,0.535,0.629,0.586,0.58,0.638,0.614,0.645,0.628,0.371,1.0,0.888,0.732,0.687,0.648,0.537,0.408,0.399,0.39,0.367,0.333,0.3,0.294,0.257,0.238,0.217,0.211,0.197,0.186,0.175]
Mattergen	NaLiAs2	data_[Na1Li1As2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6555] _cell_length_b [3.6555] _cell_length_c [6.1488] _...	[0.271,0.386,0.425,0.316,0.717,0.554,0.637,0.568,0.625,0.765,0.16,0.824,0.491,0.51,0.323,0.93,0.649,0.92,0.814,0.997,1.0,0.863,0.769,0.52,0.315,0.301,0.296,0.25,0.197,0.169,0.168,0.168,0.165,0.155,0.136,0.129,0.127,0.106,0.093,0.085]
Mattergen	Li3YbP2	data_[Li3Yb1P2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Yb 1.1000 1.7500 1.0840 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.1884] _cell_length_b [4.1884] _cell_length_c [6.5701] _cel...	[0.312,0.15,0.41,0.273,0.48,0.505,0.54,0.646,0.581,0.834,0.779,0.68,0.814,0.924,0.689,0.575,0.744,0.302,0.458,0.559,1.0,0.689,0.673,0.426,0.303,0.211,0.19,0.18,0.178,0.169,0.149,0.127,0.107,0.083,0.08,0.078,0.073,0.068,0.068,0.065]
Mattergen	Pr3Sn	data_[Pr6Sn2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [3.7167] _cell_length_b [11.4275] _cell_length_c [6.0618] _cell_angle_alpha [90.0000] _cell_...	[0.359,0.372,0.348,0.313,0.572,0.683,0.626,0.674,0.327,0.473,0.545,0.659,0.307,0.484,0.9,0.706,0.935,0.635,0.624,0.873,1.0,0.397,0.312,0.215,0.169,0.167,0.149,0.145,0.128,0.12,0.106,0.102,0.081,0.075,0.073,0.07,0.065,0.062,0.054,0.05]
Mattergen	ErTlIn	data_[Er2Tl2In2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Tl 1.6200 1.9000 1.3325 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [5.0214] _cell_length_b [5.0214] _cell_length_c [7.2487] _c...	[0.357,0.397,0.543,0.689,0.61,0.714,0.941,0.873,0.747,0.842,0.265,0.136,0.703,0.476,0.421,0.922,0.768,0.954,0.842,0.633,1.0,0.776,0.313,0.306,0.185,0.141,0.13,0.13,0.1,0.088,0.062,0.054,0.04,0.036,0.024,0.023,0.018,0.017,0.017,0.016]
Mattergen	Li2CdAg7Sb2	data_[Li4Cd2Ag14Sb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [5.9101] _cell_length_b [5....	[0.407,0.074,0.403,0.484,0.456,0.452,0.478,0.365,0.824,0.74,0.235,0.326,0.34,0.677,0.279,0.503,0.689,0.699,0.799,0.856,1.0,0.388,0.374,0.329,0.326,0.302,0.244,0.235,0.235,0.182,0.159,0.147,0.143,0.132,0.121,0.114,0.105,0.099,0.097,0.096]
Mattergen	Cs2TlMoBr6	data_[Cs8Tl4Mo4Br24] 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 Mo 2.1600 1.4500 0.7750 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [11.6203] _cell_length_b [...	[0.342,0.24,0.49,0.295,0.421,0.809,0.169,0.608,0.661,0.551,0.901,0.374,0.946,0.946,0.58,0.712,0.681,0.681,0.282,0.384,1.0,0.764,0.69,0.357,0.311,0.264,0.23,0.227,0.222,0.217,0.187,0.148,0.125,0.125,0.116,0.102,0.094,0.094,0.092,0.092]
Mattergen	Dy2GaPPt6	data_[Dy4Ga2P2Pt12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 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 [5.5583] _cell_length_b [8.55...	[0.429,0.337,0.436,0.469,0.474,0.656,0.382,0.121,0.302,0.498,0.409,0.551,0.92,0.831,0.749,0.242,0.841,0.261,0.719,0.509,1.0,0.834,0.628,0.506,0.389,0.369,0.336,0.307,0.255,0.208,0.157,0.157,0.148,0.138,0.132,0.129,0.127,0.121,0.107,0.094]
Mattergen	VPd	data_[V2Pd2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ V 1.6300 1.3500 0.7775 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pmma] _cell_length_a [4.4270] _cell_length_b [2.6910] _cell_length_c [4.8175] _cell_angle_alpha [90.0000] _cell_ang...	[0.485,0.475,0.453,0.304,0.426,0.916,0.846,0.415,0.755,0.635,0.95,0.627,0.37,0.936,0.923,0.84,0.205,0.777,0.614,0.596,1.0,0.457,0.389,0.247,0.2,0.181,0.178,0.163,0.157,0.119,0.114,0.093,0.092,0.087,0.079,0.078,0.074,0.073,0.058,0.05]
Mattergen	NaLiZrSe3	data_[Na2Li2Zr2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Li 0.9800 1.4500 0.9000 Zr 1.3300 1.5500 0.8600 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.4720] _cell_length_b [3...	[0.33,0.148,0.097,0.519,0.37,0.477,0.309,0.391,0.512,0.195,0.135,0.312,0.439,0.645,0.516,0.431,0.486,0.573,0.295,0.607,1.0,0.463,0.349,0.332,0.315,0.311,0.285,0.227,0.192,0.163,0.153,0.148,0.137,0.123,0.107,0.101,0.098,0.089,0.083,0.082]
Mattergen	FeReMo	data_[Fe2Re2Mo2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Re 1.9000 1.3500 0.7125 Mo 2.1600 1.4500 0.7750 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [2.6659] _cell_length_b [2.6659] _cell_length_c [11.7008] _c...	[0.456,0.536,0.945,0.168,0.383,0.77,0.517,0.34,0.785,0.733,0.988,0.647,0.917,0.578,0.565,0.901,0.877,0.93,0.808,0.916,1.0,0.329,0.241,0.236,0.216,0.172,0.144,0.131,0.103,0.093,0.092,0.089,0.077,0.056,0.049,0.042,0.038,0.025,0.018,0.017]
Mattergen	NaHo4Hg5	data_[Na1Ho4Hg5] 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 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7066] _cell_length_b [3.7066] _cell_length_c [18.7613] ...	[0.378,0.38,0.679,0.546,0.052,0.675,0.795,0.539,0.914,0.913,0.902,0.801,0.105,0.267,0.157,0.418,0.263,0.467,0.462,0.21,1.0,0.501,0.375,0.183,0.182,0.181,0.112,0.088,0.085,0.083,0.074,0.059,0.052,0.044,0.025,0.022,0.021,0.02,0.014,0.014]
Mattergen	Ca3Sm2DySe6	data_[Ca6Sm4Dy2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Sm 1.1700 1.8500 1.2290 Dy 1.2200 1.7500 1.1310 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.1452] _cell_length_b [12...	[0.337,0.337,0.478,0.488,0.142,0.478,0.603,0.488,0.281,0.701,0.586,0.603,0.788,0.789,0.789,0.803,0.803,0.803,0.367,0.281,1.0,0.501,0.379,0.356,0.346,0.189,0.188,0.178,0.151,0.118,0.103,0.094,0.083,0.083,0.083,0.079,0.079,0.079,0.078,0.075]
Mattergen	Sr5Rh2	data_[Sr20Rh8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [17.1742] _cell_length_b [7.0196] _cell_length_c [8.0614] _cell_angle_alpha [90.0000] _cell...	[0.2,0.323,0.359,0.398,0.308,0.35,0.335,0.406,0.367,0.319,0.36,0.476,0.325,0.285,0.387,0.319,0.379,0.521,0.334,0.487,1.0,0.943,0.801,0.762,0.658,0.618,0.609,0.557,0.537,0.515,0.489,0.478,0.433,0.407,0.364,0.361,0.332,0.323,0.276,0.256]
Mattergen	Ca2CdGa4Ag3	data_[Ca2Cd1Ga4Ag3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Cd 1.6900 1.5500 1.0900 Ga 1.8100 1.3000 0.7600 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.3150] _cell_length_b [4....	[0.368,0.477,0.465,0.244,0.344,0.49,0.169,0.858,0.675,0.694,0.788,0.881,0.589,0.717,0.531,0.336,0.519,0.498,0.709,0.888,1.0,0.703,0.639,0.405,0.304,0.297,0.281,0.236,0.202,0.199,0.199,0.138,0.124,0.117,0.104,0.09,0.08,0.076,0.066,0.063]
Mattergen	ZrScCu	data_[Zr8Sc8Cu8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zr 1.3300 1.5500 0.8600 Sc 1.3600 1.6000 0.8850 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Fmmm] _cell_length_a [5.0505] _cell_length_b [8.8618] _cell_length_c [10.4271] _c...	[0.403,0.365,0.446,0.441,0.498,0.223,0.494,0.382,0.74,0.724,0.715,0.827,0.818,0.73,0.634,0.489,0.988,0.457,0.684,0.691,1.0,0.678,0.625,0.619,0.587,0.386,0.296,0.296,0.248,0.204,0.174,0.159,0.146,0.13,0.124,0.112,0.112,0.106,0.102,0.097]
Mattergen	Ce4CoOs2	data_[Ce8Co2Os4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Co 1.8800 1.3500 0.7683 Os 2.2000 1.3000 0.6730 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.0865] _cell_length_b [4.1970] _cell_length_c [8.6041] _c...	[0.339,0.427,0.425,0.457,0.479,0.359,0.389,0.338,0.455,0.61,0.366,0.233,0.65,0.63,0.677,0.592,0.908,0.149,0.729,0.935,1.0,0.966,0.771,0.722,0.568,0.547,0.349,0.303,0.25,0.247,0.24,0.222,0.176,0.175,0.154,0.153,0.145,0.134,0.133,0.133]
Mattergen	SrCeTlCd	data_[Sr4Ce4Tl4Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Ce 1.1200 1.8500 1.0800 Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.9825] _cell_length_b [7....	[0.352,0.627,0.505,0.837,0.736,0.214,0.415,0.933,0.247,0.553,0.669,0.669,0.774,0.569,0.434,0.969,0.969,0.787,0.787,0.873,1.0,0.385,0.184,0.165,0.119,0.072,0.043,0.042,0.03,0.02,0.016,0.016,0.016,0.014,0.01,0.009,0.009,0.006,0.006,0.006]
Mattergen	Hf2Tl2PdSe6	data_[Hf4Tl4Pd2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hf 1.3000 1.5500 0.8500 Tl 1.6200 1.9000 1.3325 Pd 2.2000 1.4000 0.8462 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.6490] _cell_length_b [11...	[0.343,0.343,0.454,0.527,0.449,0.124,0.248,0.53,0.191,0.644,0.172,0.311,0.237,0.714,0.638,0.507,0.52,0.681,0.864,0.869,1.0,0.465,0.339,0.318,0.201,0.183,0.163,0.155,0.153,0.151,0.125,0.118,0.106,0.099,0.09,0.088,0.081,0.073,0.072,0.065]
Mattergen	PrTm2Sn	data_[Pr1Tm2Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Tm 1.2500 1.7500 1.0950 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8733] _cell_length_b [4.8733] _cell_length_c [4.7784] _...	[0.356,0.41,0.705,0.597,0.418,0.716,0.744,0.98,0.591,0.97,0.872,0.893,0.206,0.287,0.462,0.514,0.631,0.202,0.812,0.667,1.0,0.343,0.286,0.235,0.162,0.136,0.122,0.122,0.121,0.062,0.039,0.019,0.014,0.012,0.007,0.005,0.003,0.003,0.003,0.002]
Mattergen	Ti2Al3Au	data_[Ti4Al6Au2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 Al 1.6100 1.2500 0.6750 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P6_3/mmc] _cell_length_a [5.2486] _cell_length_b [5.2486] _cell_length_c [8.2122]...	[0.217,0.453,0.326,0.38,0.507,0.541,0.24,0.796,0.73,0.647,0.592,0.427,0.8,0.458,0.914,0.68,0.801,0.676,0.49,0.884,1.0,0.989,0.774,0.729,0.413,0.379,0.307,0.265,0.24,0.211,0.178,0.167,0.157,0.137,0.133,0.13,0.128,0.119,0.106,0.104]
Mattergen	KFeO2	data_[K4Fe4O8] 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 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [I-42d] _cell_length_a [5.7475] _cell_length_b [5.7475] _cell_length_c [8.1016] _cell_...	[0.346,0.616,0.346,0.617,0.21,0.495,0.722,0.819,0.822,0.819,0.721,0.914,0.544,0.497,0.408,0.656,0.761,0.427,0.558,0.759,1.0,0.317,0.312,0.213,0.2,0.171,0.088,0.077,0.064,0.063,0.047,0.045,0.04,0.037,0.033,0.023,0.012,0.011,0.009,0.009]
Mattergen	K3LuF6	data_[K6Lu2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Lu 1.2700 1.7500 1.0010 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.9276] _cell_length_b [11.2640] _cell_length_c [5.9771] _cell...	[0.186,0.306,0.281,0.175,0.188,0.218,0.443,0.49,0.436,0.365,0.477,0.335,0.549,0.313,0.543,0.493,0.353,0.331,0.476,0.586,1.0,0.979,0.694,0.546,0.503,0.297,0.252,0.246,0.232,0.224,0.203,0.188,0.187,0.179,0.168,0.168,0.158,0.151,0.135,0.124]
Mattergen	Ca3Fe2(CuAs2)2	data_[Ca3Fe2Cu2As4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Fe 1.8300 1.4000 0.8525 Cu 1.9000 1.3500 0.8200 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [4.0656] _cell_length_b [4....	[0.495,0.388,0.345,0.7,0.264,0.197,0.281,0.311,0.494,0.568,0.469,0.643,0.912,0.843,0.554,0.756,0.537,0.439,0.615,0.289,1.0,0.77,0.511,0.308,0.267,0.237,0.236,0.217,0.208,0.205,0.183,0.167,0.153,0.143,0.122,0.107,0.105,0.094,0.09,0.085]
Mattergen	NaGaSn	data_[Na4Ga4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ga 1.8100 1.3000 0.7600 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Imm2] _cell_length_a [4.9003] _cell_length_b [7.7546] _cell_length_c [8.0312] _ce...	[0.426,0.35,0.236,0.406,0.177,0.408,0.345,0.507,0.255,0.586,0.501,0.683,0.246,0.357,0.75,0.486,0.746,0.55,0.804,0.813,1.0,0.898,0.874,0.714,0.659,0.658,0.645,0.616,0.516,0.497,0.457,0.32,0.308,0.307,0.256,0.196,0.193,0.185,0.163,0.139]
Mattergen	Li3Nd(ErTe3)2	data_[Li6Nd2Er4Te12] 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 Er 1.2400 1.7500 1.0300 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.5618] _cell_length_b [13...	[0.322,0.322,0.139,0.46,0.462,0.266,0.57,0.46,0.463,0.352,0.668,0.266,0.57,0.575,0.755,0.755,0.755,0.759,0.759,0.759,1.0,0.5,0.425,0.379,0.373,0.235,0.201,0.19,0.187,0.135,0.124,0.117,0.101,0.098,0.085,0.085,0.085,0.084,0.084,0.084]
Mattergen	K3Mn2GeCl9	data_[K3Mn2Ge1Cl9] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Mn 1.5500 1.4000 0.6483 Ge 2.0100 1.2500 0.7700 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [7.2411] _cell_length_b [7.24...	[0.389,0.192,0.56,0.559,0.273,0.336,0.273,0.698,0.94,0.939,0.481,0.437,0.437,0.822,0.335,0.48,0.481,0.631,0.632,0.697,1.0,0.481,0.313,0.311,0.267,0.264,0.264,0.151,0.127,0.124,0.112,0.111,0.107,0.089,0.087,0.058,0.056,0.05,0.049,0.049]
Mattergen	BaScPt2	data_[Ba1Sc1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Sc 1.3600 1.6000 0.8850 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4820] _cell_length_b [3.4820] _cell_length_c [7.5395] _...	[0.39,0.405,0.314,0.72,0.578,0.584,0.284,0.397,0.494,0.724,0.752,0.988,0.675,0.792,0.862,0.978,0.982,0.967,0.659,0.13,1.0,0.671,0.429,0.336,0.296,0.236,0.223,0.211,0.165,0.152,0.15,0.111,0.104,0.081,0.076,0.075,0.071,0.062,0.049,0.046]
Mattergen	CuRh2W	data_[Cu2Rh4W2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cu 1.9000 1.3500 0.8200 Rh 2.2800 1.3500 0.7450 W 2.3600 1.3500 0.7667 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [3.9199] _cell_length_b [3.9199] _cell_length_c [7.3291] _ce...	[0.454,0.515,0.912,0.782,0.286,0.553,0.969,0.751,0.983,0.597,0.485,0.728,0.962,0.759,0.818,0.933,0.359,0.27,0.589,0.673,1.0,0.347,0.255,0.195,0.193,0.14,0.112,0.11,0.108,0.056,0.05,0.032,0.016,0.014,0.012,0.009,0.006,0.006,0.004,0.002]
Mattergen	Dy2Ga3Cu4	data_[Dy8Ga12Cu16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Ga 1.8100 1.3000 0.7600 Cu 1.9000 1.3500 0.8200 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [5.5245] _cell_length_b [15.1471] _cell_length_c [7.3636] ...	[0.399,0.454,0.408,0.38,0.428,0.449,0.331,0.801,0.668,0.483,0.419,0.575,0.452,0.695,0.733,0.754,0.652,0.377,0.36,0.898,1.0,0.716,0.528,0.491,0.473,0.283,0.257,0.25,0.219,0.216,0.207,0.197,0.16,0.154,0.138,0.138,0.12,0.12,0.111,0.106]
Mattergen	Pr5Cu4Ag	data_[Pr5Cu4Ag1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Cu 1.9000 1.3500 0.8200 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6572] _cell_length_b [3.6572] _cell_length_c [18.1243] ...	[0.387,0.385,0.692,0.554,0.695,0.27,0.818,0.929,0.559,0.93,0.938,0.813,0.273,0.477,0.625,0.626,0.349,0.63,0.876,0.987,1.0,0.522,0.357,0.183,0.16,0.108,0.098,0.079,0.079,0.077,0.058,0.056,0.049,0.046,0.024,0.022,0.018,0.017,0.014,0.014]
Mattergen	Ca3HgPb2	data_[Ca3Hg1Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Hg 2.0000 1.5000 1.2450 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.7912] _cell_length_b [3.7912] _cell_length_c [12.3885] ...	[0.356,0.261,0.371,0.654,0.239,0.446,0.625,0.533,0.559,0.591,0.745,0.601,0.487,0.801,0.889,0.881,0.813,0.934,0.962,0.78,1.0,0.463,0.461,0.353,0.281,0.245,0.186,0.168,0.128,0.112,0.11,0.108,0.097,0.093,0.077,0.076,0.074,0.067,0.058,0.054]
Mattergen	Tb4IrRu2	data_[Tb16Ir4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ir 2.2000 1.3500 0.7650 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Cc] _cell_length_a [8.7542] _cell_length_b [12.6683] _cell_length_c [6.7499] _ce...	[0.353,0.382,0.387,0.429,0.417,0.36,0.39,0.437,0.352,0.373,0.417,0.474,0.589,0.309,0.543,0.475,0.522,0.48,0.419,0.51,1.0,0.775,0.618,0.596,0.556,0.487,0.468,0.464,0.238,0.189,0.174,0.173,0.163,0.156,0.137,0.126,0.121,0.119,0.1,0.099]
Mattergen	HoZnPt2	data_[Ho1Zn1Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Zn 1.6500 1.3500 0.8800 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.4908] _cell_length_b [3.4908] _cell_length_c [5.9083] _...	[0.444,0.404,0.755,0.582,0.832,0.33,0.984,0.959,0.284,0.859,0.699,0.668,0.967,0.683,0.534,0.804,0.336,0.512,0.658,0.686,1.0,0.673,0.421,0.239,0.141,0.116,0.112,0.1,0.095,0.076,0.058,0.047,0.032,0.032,0.031,0.027,0.026,0.025,0.021,0.015]
Mattergen	Sc6CS3N2	data_[Sc12C2S6N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 C 2.5500 0.7000 0.3000 S 2.5800 1.0000 0.8800 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [5.9002] _cell_length_b [10.2121]...	[0.408,0.408,0.598,0.577,0.444,0.599,0.356,0.744,0.577,0.518,0.444,0.342,0.356,0.744,0.868,0.865,0.821,0.821,0.821,0.34,1.0,0.501,0.316,0.244,0.168,0.158,0.157,0.14,0.122,0.108,0.084,0.082,0.079,0.07,0.065,0.063,0.051,0.051,0.051,0.046]
Mattergen	KErMnSe3	data_[K2Er2Mn2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 Er 1.2400 1.7500 1.0300 Mn 1.5500 1.4000 0.6483 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.0283] _cell_length_b [4.1...	[0.129,0.325,0.331,0.484,0.317,0.105,0.386,0.479,0.524,0.37,0.408,0.262,0.445,0.513,0.584,0.269,0.432,0.498,0.602,0.426,1.0,0.54,0.325,0.272,0.239,0.186,0.173,0.172,0.152,0.142,0.141,0.094,0.089,0.088,0.086,0.079,0.076,0.073,0.064,0.064]
Mattergen	Be2Re2SiRu5	data_[Be4Re4Si2Ru10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Re 1.9000 1.3500 0.7125 Si 1.9000 1.1000 0.5400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [9.2841] _cell_length_b [...	[0.445,0.419,0.487,0.458,0.238,0.405,0.461,0.869,0.524,0.81,0.801,0.711,0.878,0.212,0.644,0.934,0.934,0.484,0.559,0.696,1.0,0.784,0.756,0.441,0.341,0.315,0.284,0.281,0.25,0.176,0.167,0.153,0.132,0.119,0.113,0.11,0.11,0.107,0.106,0.105]
Mattergen	TlSnBiSe3	data_[Tl2Sn2Bi2Se6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [9.2284] _cell_length_b [4...	[0.32,0.306,0.423,0.471,0.477,0.575,0.439,0.255,0.224,0.664,0.311,0.101,0.5,0.136,0.779,0.583,0.71,0.32,0.778,0.274,1.0,0.503,0.383,0.31,0.185,0.179,0.173,0.128,0.127,0.105,0.105,0.1,0.094,0.09,0.082,0.07,0.067,0.06,0.06,0.06]
Mattergen	Sm5Hg	data_[Sm5Hg1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sm 1.1700 1.8500 1.2290 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6985] _cell_length_b [3.6985] _cell_length_c [14.0268] _cell_angle_alpha [90.0000] _cel...	[0.343,0.381,0.658,0.583,0.548,0.07,0.428,0.714,0.916,0.895,0.721,0.951,0.392,0.803,0.944,0.647,0.14,0.448,0.886,0.528,1.0,0.412,0.315,0.173,0.149,0.108,0.105,0.095,0.068,0.066,0.058,0.056,0.052,0.048,0.045,0.034,0.028,0.028,0.027,0.024]
Mattergen	K2InCuCl6	data_[K8In4Cu4Cl24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 In 1.7800 1.5500 0.9400 Cu 1.9000 1.3500 0.8200 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [10.1743] _cell_length_b [10...	[0.392,0.275,0.194,0.564,0.44,0.484,0.948,0.704,0.601,0.601,0.768,0.636,0.338,0.859,0.859,0.829,0.168,0.889,0.889,0.736,1.0,0.835,0.804,0.637,0.388,0.366,0.264,0.206,0.188,0.188,0.172,0.157,0.113,0.102,0.102,0.093,0.086,0.083,0.083,0.08]
Mattergen	TbEr2Sn	data_[Tb1Er2Sn1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Er 1.2400 1.7500 1.0300 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.8021] _cell_length_b [4.8021] _cell_length_c [4.7983] _...	[0.359,0.416,0.715,0.6,0.417,0.715,0.987,0.751,0.6,0.987,0.888,0.889,0.205,0.205,0.292,0.292,0.468,0.515,0.515,0.467,1.0,0.336,0.28,0.236,0.168,0.14,0.123,0.121,0.118,0.062,0.038,0.019,0.007,0.007,0.006,0.006,0.003,0.003,0.002,0.002]
Mattergen	Ba3In4	data_[Ba6In8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [Immm] _cell_length_a [4.6213] _cell_length_b [5.1713] _cell_length_c [22.7672] _cell_angle_alpha [90.0000] _cell_...	[0.3,0.306,0.361,0.385,0.337,0.498,0.574,0.433,0.391,0.591,0.535,0.675,0.441,0.641,0.631,0.829,0.706,0.676,0.26,0.086,1.0,0.597,0.547,0.367,0.329,0.311,0.288,0.265,0.216,0.211,0.167,0.166,0.143,0.117,0.098,0.095,0.087,0.087,0.078,0.077]
Mattergen	Nb2AuS6	data_[Nb4Au2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nb 1.6000 1.4500 0.8200 Au 2.5400 1.3500 1.0700 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [13.3505] _cell_length_b [3.3387] _cell_length_c [10.6852] _c...	[0.149,0.397,0.343,0.107,0.484,0.352,0.496,0.195,0.376,0.415,0.418,0.581,0.313,0.309,0.332,0.482,0.611,0.606,0.529,0.617,1.0,0.242,0.219,0.159,0.145,0.141,0.128,0.125,0.102,0.095,0.09,0.067,0.063,0.062,0.06,0.056,0.053,0.053,0.051,0.051]

Subsets and Splits

TiO2 XRD Data

Retrieves all records from the dataset where the "Reduced Formula" is 'TiO2', providing a basic filter on a specific material.