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	LaMnFeSi2	data_[La2Mn2Fe2Si4] 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 Fe 1.8300 1.4000 0.8525 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.0167] _cell_length_b [4....	[0.4,0.379,0.264,0.502,0.642,0.696,0.859,0.547,0.382,0.644,0.766,0.731,0.574,0.996,0.35,0.848,0.847,0.805,0.959,0.98,1.0,0.623,0.441,0.402,0.268,0.213,0.197,0.189,0.177,0.149,0.137,0.125,0.113,0.107,0.072,0.062,0.059,0.046,0.038,0.025]
Mattergen	La2Cd17	data_[La6Cd51] 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 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [10.2207] _cell_length_b [10.2207] _cell_length_c [15.0601] _cell_angle_alpha [90.0000] _ce...	[0.392,0.44,0.39,0.397,0.337,0.401,0.347,0.7,0.711,0.634,0.445,0.829,0.567,0.399,0.325,0.825,0.707,0.894,0.606,0.276,1.0,0.67,0.599,0.348,0.336,0.304,0.266,0.237,0.224,0.163,0.147,0.14,0.117,0.097,0.094,0.089,0.087,0.086,0.085,0.074]
Mattergen	LiTmPtPb	data_[Li4Tm4Pt4Pb4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Tm 1.2500 1.7500 1.0950 Pt 2.2800 1.3500 0.8050 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [6.7898] _cell_length_b [6....	[0.416,0.751,0.252,0.6,0.492,0.292,0.888,0.659,0.678,0.938,0.803,0.803,0.515,0.954,0.954,-100,-100,-100,-100,-100,1.0,0.364,0.264,0.177,0.141,0.119,0.116,0.06,0.047,0.046,0.045,0.045,0.035,0.024,0.024,-100,-100,-100,-100,-100]
Mattergen	La3HgO	data_[La18Hg6O6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Hg 2.0000 1.5000 1.2450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3c] _cell_length_a [7.1467] _cell_length_b [7.1467] _cell_length_c [17.6147] _ce...	[0.34,0.394,0.338,0.566,0.674,0.568,0.672,0.675,0.708,0.952,0.955,0.926,0.834,0.92,0.923,0.325,0.704,0.276,0.596,0.277,1.0,0.76,0.355,0.271,0.265,0.244,0.147,0.126,0.12,0.113,0.093,0.092,0.074,0.062,0.053,0.05,0.049,0.035,0.034,0.029]
Mattergen	Tl2CdHg6	data_[Tl2Cd1Hg6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [P-31m] _cell_length_a [9.3092] _cell_length_b [9.3092] _cell_length_c [3.4127] _c...	[0.37,0.361,0.656,0.525,0.639,0.662,0.867,0.882,0.757,0.778,0.316,0.441,0.476,0.541,0.383,0.987,0.29,0.629,0.586,0.748,1.0,0.806,0.302,0.291,0.214,0.192,0.18,0.132,0.13,0.119,0.108,0.082,0.063,0.055,0.054,0.052,0.039,0.024,0.023,0.019]
Mattergen	NaCe2AlS5	data_[Na4Ce8Al4S20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ce 1.1200 1.8500 1.0800 Al 1.6100 1.2500 0.6750 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.8759] _cell_length_b [16...	[0.363,0.274,0.142,0.232,0.466,0.164,0.425,0.352,0.361,0.4,0.521,0.31,0.262,0.433,0.39,0.286,0.575,0.434,0.596,0.561,1.0,0.523,0.432,0.386,0.319,0.295,0.293,0.293,0.272,0.223,0.22,0.194,0.19,0.177,0.168,0.161,0.153,0.137,0.132,0.132]
Mattergen	Li2LaAu	data_[Li4La2Au2] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.1389] _cell_length_b [3.9425] _cell_length_c [12.1516] _c...	[0.162,0.358,0.352,0.408,0.289,0.429,0.486,0.67,0.611,0.707,0.557,0.264,0.515,0.486,0.539,0.783,0.512,0.812,0.596,0.749,1.0,0.858,0.332,0.308,0.283,0.248,0.2,0.147,0.141,0.132,0.132,0.125,0.114,0.111,0.099,0.096,0.096,0.082,0.08,0.075]
Mattergen	Tb4Sm4Dy	data_[Tb8Sm8Dy2] 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 Dy 1.2200 1.7500 1.1310 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [10.7999] _cell_length_b [10.7999] _cell_length_c [5.0457]...	[0.339,0.392,0.671,0.566,0.395,0.675,0.705,0.564,0.923,0.918,0.947,0.949,0.956,0.828,0.837,0.129,0.43,0.812,0.812,0.284,1.0,0.34,0.288,0.24,0.166,0.141,0.124,0.122,0.118,0.059,0.055,0.055,0.055,0.039,0.019,0.002,0.001,0.0,0.0,0.0]
Mattergen	Tb2CeHgC	data_[Tb2Ce1Hg1C1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ce 1.1200 1.8500 1.0800 Hg 2.0000 1.5000 1.2450 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.9778] _cell_length_b [4.9...	[0.348,0.401,0.688,0.583,0.409,0.699,0.726,0.577,0.954,0.945,0.974,0.979,0.993,0.851,0.284,0.87,0.497,0.198,0.45,0.457,1.0,0.367,0.291,0.252,0.174,0.139,0.13,0.13,0.121,0.062,0.061,0.06,0.059,0.041,0.021,0.02,0.01,0.009,0.003,0.003]
Mattergen	Sc2AlNi	data_[Sc2Al1Ni1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sc 1.3600 1.6000 0.8850 Al 1.6100 1.2500 0.6750 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [4.5988] _cell_length_b [4.5988] _cell_length_c [3.3280] _...	[0.43,0.435,0.785,0.775,0.629,0.214,0.923,0.613,0.369,0.936,0.581,0.489,0.656,0.813,0.896,0.747,0.671,0.826,0.959,0.972,1.0,0.483,0.296,0.154,0.152,0.128,0.092,0.082,0.069,0.044,0.035,0.031,0.012,0.011,0.008,0.007,0.005,0.005,0.003,0.003]
Mattergen	K3Cu2AgCl9	data_[K3Cu2Ag1Cl9] 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 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.9589] _cell_length_b [6.95...	[0.405,0.2,0.284,0.284,0.585,0.583,0.456,0.455,0.501,0.73,0.35,0.988,0.986,0.861,0.5,0.501,0.659,0.66,0.623,0.622,1.0,0.736,0.391,0.38,0.308,0.306,0.176,0.164,0.159,0.148,0.132,0.13,0.124,0.088,0.087,0.08,0.074,0.07,0.064,0.063]
Mattergen	La8Ga2Ge	data_[La16Ga4Ge2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ga 1.8100 1.3000 0.7600 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.8941] _cell_length_b [5.1698] _cell_length_c [7.2690] _...	[0.386,0.336,0.338,0.367,0.318,0.317,0.383,0.33,0.342,0.403,0.506,0.635,0.301,0.728,0.333,0.421,0.581,0.679,0.418,0.661,1.0,0.982,0.886,0.882,0.565,0.512,0.469,0.376,0.357,0.299,0.285,0.264,0.245,0.215,0.198,0.187,0.148,0.147,0.147,0.143]
Mattergen	DySi	data_[Dy8Si8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [4.0328] _cell_length_b [4.0328] _cell_length_c [21.2821] _cell_angle_alpha [90.0000] _c...	[0.361,0.339,0.282,0.5,0.411,0.451,0.374,0.615,0.637,0.597,0.833,0.582,0.662,0.679,0.878,0.727,0.996,0.841,0.972,0.249,1.0,0.682,0.566,0.383,0.311,0.292,0.288,0.26,0.252,0.233,0.18,0.165,0.155,0.134,0.128,0.125,0.115,0.111,0.1,0.094]
Mattergen	Tb(PrTm)3	data_[Tb2Pr6Tm6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Pr 1.1300 1.8500 1.0600 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [P6_3/m] _cell_length_a [9.6336] _cell_length_b [9.6336] _cell_length_c [5.8087] _...	[0.359,0.342,0.314,0.666,0.619,0.557,0.676,0.47,0.918,0.918,0.95,0.869,0.751,0.986,0.986,0.795,0.713,0.65,0.896,0.896,1.0,0.253,0.235,0.226,0.214,0.194,0.161,0.159,0.135,0.135,0.085,0.078,0.04,0.039,0.039,0.034,0.031,0.031,0.024,0.024]
Mattergen	CdTeRhO6	data_[Cd2Te2Rh2O12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Te 2.1000 1.4000 1.2933 Rh 2.2800 1.3500 0.7450 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-31c] _cell_length_a [5.2579] _cell_length_b [5.2...	[0.297,0.567,0.379,0.488,0.63,0.678,0.202,0.432,0.928,0.869,0.671,0.409,0.816,0.904,0.981,0.791,0.798,0.979,0.752,0.714,1.0,0.453,0.43,0.245,0.234,0.151,0.146,0.12,0.099,0.092,0.092,0.084,0.081,0.081,0.066,0.062,0.053,0.035,0.028,0.025]
Mattergen	Ce2Y3Er6Sc	data_[Ce4Y6Er12Sc2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Y 1.2200 1.8000 1.0400 Er 1.2400 1.7500 1.0300 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.0497] _cell_length_b [10.4...	[0.349,0.404,0.349,0.349,0.404,0.582,0.582,0.173,0.693,0.693,0.693,0.693,0.693,0.727,0.582,0.582,0.859,0.693,0.333,0.693,1.0,0.669,0.5,0.497,0.335,0.235,0.233,0.155,0.139,0.138,0.138,0.138,0.136,0.119,0.118,0.116,0.073,0.069,0.068,0.068]
Mattergen	Yb2Si	data_[Yb8Si4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Si 1.9000 1.1000 0.5400 ] _symmetry_space_group_name_H-M [Pnma] _cell_length_a [7.4071] _cell_length_b [4.8217] _cell_length_c [8.9759] _cell_angle_alpha [90.0000] _cell_a...	[0.331,0.356,0.392,0.414,0.338,0.268,0.653,0.359,0.42,0.348,0.257,0.602,0.557,0.43,0.55,0.6,0.931,0.609,0.696,0.583,1.0,0.814,0.477,0.463,0.455,0.375,0.37,0.31,0.304,0.272,0.24,0.217,0.182,0.169,0.153,0.138,0.138,0.125,0.122,0.114]
Mattergen	Tb(NiP)2	data_[Tb2Ni4P4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 Ni 1.9100 1.3500 0.7400 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.9945] _cell_length_b [3.9945] _cell_length_c [9.0978] _ce...	[0.416,0.414,0.505,0.668,0.27,0.352,0.617,0.873,0.827,0.735,0.783,0.58,0.872,0.687,0.369,0.44,0.217,0.836,0.888,0.948,1.0,0.854,0.558,0.412,0.39,0.313,0.238,0.223,0.197,0.174,0.167,0.109,0.094,0.094,0.093,0.087,0.06,0.052,0.045,0.042]
Mattergen	Ba6Te2SeI3	data_[Ba12Te4Se2I6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Te 2.1000 1.4000 1.2933 Se 2.5500 1.1500 1.0133 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [8.5008] _cell_length_b [14.7...	[0.283,0.283,0.407,0.4,0.501,0.406,0.4,0.581,0.501,0.661,0.49,0.66,0.66,0.651,0.651,0.651,0.732,0.581,0.728,0.727,1.0,0.501,0.389,0.367,0.206,0.194,0.183,0.121,0.103,0.089,0.089,0.088,0.088,0.075,0.074,0.074,0.066,0.061,0.061,0.06]
Mattergen	BaCdHg2Pb	data_[Ba2Cd2Hg4Pb2] 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 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.9286] _cell_length_b [4....	[0.323,0.405,0.421,0.305,0.436,0.214,0.607,0.584,0.68,0.514,0.74,0.771,0.875,0.986,0.88,0.901,0.462,0.284,0.75,0.63,1.0,0.734,0.58,0.491,0.443,0.363,0.343,0.26,0.245,0.243,0.227,0.177,0.131,0.126,0.12,0.118,0.114,0.113,0.092,0.089]
Mattergen	K2LaSmO4	data_[K2La1Sm1O4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 La 1.1000 1.9500 1.1720 Sm 1.1700 1.8500 1.2290 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [6.3334] _cell_length_b [3.6537]...	[0.156,0.379,0.331,0.379,0.315,0.331,0.554,0.318,0.534,0.49,0.555,0.318,0.534,0.687,0.631,0.412,0.649,0.649,0.649,0.658,1.0,0.831,0.596,0.416,0.376,0.298,0.275,0.274,0.27,0.146,0.137,0.136,0.135,0.134,0.125,0.102,0.101,0.1,0.1,0.089]
Mattergen	Dy5ErAl3	data_[Dy10Er2Al6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Er 1.2400 1.7500 1.0300 Al 1.6100 1.2500 0.6750 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [9.0387] _cell_length_b [9.0387] _cell_length_c [6.6381...	[0.372,0.382,0.265,0.678,0.542,0.742,0.684,0.913,0.218,0.972,0.469,0.805,0.617,0.507,0.615,0.772,0.649,0.861,1.0,0.443,1.0,0.872,0.477,0.358,0.35,0.254,0.162,0.155,0.131,0.126,0.108,0.1,0.098,0.087,0.075,0.05,0.042,0.037,0.027,0.022]
Mattergen	CeCrSb3	data_[Ce4Cr4Sb12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Cr 1.6600 1.4000 0.9400 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Pbcm] _cell_length_a [12.9364] _cell_length_b [6.2799] _cell_length_c [6.1443] _...	[0.383,0.352,0.457,0.358,0.322,0.399,0.763,0.612,0.393,0.385,0.332,0.306,0.323,0.609,0.669,0.774,0.558,0.598,0.364,0.43,1.0,0.756,0.736,0.491,0.312,0.299,0.258,0.257,0.237,0.2,0.192,0.19,0.179,0.161,0.16,0.15,0.147,0.135,0.135,0.113]
Mattergen	Zn2In	data_[Zn8In4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Zn 1.6500 1.3500 0.8800 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [I4/mcm] _cell_length_a [5.0764] _cell_length_b [5.0764] _cell_length_c [9.5970] _cell_angle_alpha [90.0000] _cell...	[0.447,0.346,0.416,0.454,0.276,0.784,0.547,0.638,0.772,0.565,0.721,0.925,0.505,0.708,0.705,0.87,0.936,0.865,0.913,0.889,1.0,0.952,0.476,0.438,0.345,0.253,0.25,0.241,0.185,0.174,0.162,0.162,0.133,0.115,0.111,0.094,0.078,0.064,0.051,0.048]
Mattergen	TmB	data_[Tm4B4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 B 2.0400 0.8500 0.4100 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.5105] _cell_length_b [12.4830] _cell_length_c [3.1784] _cell_angle_alpha [90.0000] _cell_an...	[0.351,0.293,0.318,0.432,0.371,0.491,0.691,0.584,0.594,0.495,0.858,0.672,0.579,0.763,0.733,0.72,0.986,0.73,0.645,0.645,1.0,0.69,0.611,0.609,0.518,0.424,0.294,0.266,0.23,0.208,0.172,0.153,0.138,0.127,0.119,0.118,0.111,0.107,0.1,0.095]
Mattergen	CeAgI4	data_[Ce2Ag2I8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Ag 1.9300 1.6000 1.0867 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [16.7352] _cell_length_b [4.5379] _cell_length_c [7.6839] _cel...	[0.287,0.13,0.285,0.37,0.45,0.471,0.363,0.441,0.532,0.363,0.485,0.672,0.535,0.582,0.376,0.283,0.707,0.721,0.713,0.262,1.0,0.624,0.555,0.407,0.396,0.303,0.248,0.211,0.199,0.18,0.148,0.111,0.099,0.092,0.089,0.088,0.085,0.084,0.082,0.08]
Mattergen	La2TlCoC	data_[La2Tl1Co1C1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Tl 1.6200 1.9000 1.3325 Co 1.8800 1.3500 0.7683 C 2.5500 0.7000 0.3000 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [5.5328] _cell_length_b [5.5...	[0.37,0.36,0.648,0.516,0.668,0.178,0.777,0.322,0.857,0.547,0.862,0.909,0.489,0.98,0.753,0.403,0.732,0.696,0.619,0.579,1.0,0.587,0.404,0.214,0.195,0.154,0.124,0.113,0.094,0.09,0.087,0.076,0.074,0.069,0.068,0.046,0.023,0.022,0.019,0.018]
Mattergen	LaCe3(PrTe3)2	data_[La2Ce6Pr4Te12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ce 1.1200 1.8500 1.0800 Pr 1.1300 1.8500 1.0600 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.7793] _cell_length_b [13...	[0.311,0.311,0.442,0.446,0.552,0.442,0.446,0.642,0.544,0.552,0.723,0.724,0.724,0.73,0.73,0.73,0.799,0.808,0.642,0.808,1.0,0.501,0.388,0.377,0.204,0.194,0.189,0.129,0.106,0.102,0.089,0.089,0.089,0.087,0.087,0.087,0.066,0.065,0.065,0.065]
Mattergen	Ca2PrNbO6	data_[Ca6Pr3Nb3O18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Pr 1.1300 1.8500 1.0600 Nb 1.6000 1.4500 0.8200 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [5.8010] _cell_length_b [5.8010...	[0.329,0.236,0.343,0.481,0.601,0.532,0.609,0.575,0.55,0.803,0.397,0.782,0.714,0.986,0.419,0.993,0.717,0.683,0.905,0.841,1.0,0.873,0.843,0.455,0.409,0.384,0.289,0.159,0.153,0.139,0.126,0.116,0.112,0.111,0.106,0.1,0.092,0.088,0.086,0.084]
Mattergen	Yb(NiSn)2	data_[Yb2Ni4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Yb 1.1000 1.7500 1.0840 Ni 1.9100 1.3500 0.7400 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [I4/mmm] _cell_length_a [4.3943] _cell_length_b [4.3943] _cell_length_c [10.6615] ...	[0.36,0.456,0.592,0.371,0.319,0.527,0.661,0.666,0.716,0.933,0.995,0.946,0.771,0.498,0.777,0.749,0.99,0.785,0.882,0.861,1.0,0.562,0.502,0.489,0.389,0.199,0.189,0.188,0.161,0.144,0.127,0.125,0.116,0.113,0.107,0.079,0.065,0.05,0.046,0.045]
Mattergen	Cs2PbS3	data_[Cs8Pb4S12] 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 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/c] _cell_length_a [13.3615] _cell_length_b [9.0624] _cell_length_c [7.5001] _ce...	[0.256,0.264,0.303,0.132,0.25,0.268,0.338,0.507,0.458,0.399,0.331,0.15,0.401,0.438,0.337,0.368,0.415,0.369,0.359,0.49,1.0,0.777,0.548,0.5,0.469,0.439,0.418,0.213,0.211,0.205,0.201,0.192,0.163,0.16,0.155,0.15,0.148,0.136,0.134,0.133]
Mattergen	Hg2Te	data_[Hg4Te2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Te 2.1000 1.4000 1.2933 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [5.8937] _cell_length_b [7.2350] _cell_length_c [4.6974] _cell_angle_alpha [90.0000] _cell_a...	[0.303,0.322,0.424,0.269,0.542,0.426,0.5,0.251,0.468,0.49,0.533,0.7,0.823,0.816,0.667,0.801,0.387,0.769,0.365,0.273,1.0,0.938,0.816,0.677,0.461,0.437,0.374,0.349,0.325,0.266,0.235,0.209,0.196,0.18,0.162,0.156,0.152,0.144,0.135,0.131]
Mattergen	LuVRu2	data_[Lu4V4Ru8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Lu 1.2700 1.7500 1.0010 V 1.6300 1.3500 0.7775 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [Fm-3m] _cell_length_a [6.3269] _cell_length_b [6.3269] _cell_length_c [6.3269] _cel...	[0.448,0.814,0.271,0.648,0.968,0.53,0.713,0.873,0.873,0.313,0.734,0.555,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.332,0.198,0.166,0.108,0.106,0.046,0.035,0.035,0.002,0.001,0.001,-100,-100,-100,-100,-100,-100,-100,-100]
Mattergen	Eu2PbO	data_[Eu6Pb3O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Pb 2.3300 1.8000 1.1225 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [3.7130] _cell_length_b [3.7130] _cell_length_c [24.6229] _cel...	[0.349,0.37,0.545,0.669,0.311,0.364,0.451,0.626,0.66,0.987,0.666,0.895,0.673,0.907,0.516,0.866,0.9,0.638,0.728,0.956,1.0,0.697,0.377,0.367,0.355,0.341,0.198,0.176,0.162,0.146,0.142,0.138,0.129,0.115,0.104,0.071,0.061,0.051,0.048,0.048]
Mattergen	Na2CaSnBi2	data_[Na4Ca2Sn2Bi4] 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 Sn 1.9600 1.4500 0.8300 Bi 2.0200 1.6000 1.0350 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [5.7723] _cell_length_b [9...	[0.244,0.372,0.344,0.271,0.341,0.466,0.35,0.203,0.462,0.443,0.218,0.257,0.498,0.109,0.173,0.63,0.434,0.684,0.697,0.41,1.0,0.945,0.698,0.643,0.633,0.545,0.457,0.393,0.377,0.374,0.368,0.355,0.349,0.267,0.251,0.212,0.192,0.188,0.173,0.159]
Mattergen	RbTl(InCl4)2	data_[Rb2Tl2In4Cl16] 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 In 1.7800 1.5500 0.9400 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [I-4] _cell_length_a [7.1103] _cell_length_b [7.1...	[0.231,0.373,0.463,0.422,0.59,0.397,0.471,0.278,0.58,0.245,0.315,0.318,0.698,0.758,0.645,0.623,0.629,0.364,0.801,0.151,1.0,0.398,0.316,0.203,0.183,0.17,0.132,0.121,0.119,0.114,0.098,0.089,0.085,0.081,0.076,0.073,0.063,0.062,0.062,0.06]
Mattergen	RbCd(FeI4)2	data_[Rb2Cd2Fe4I16] 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 Fe 1.8300 1.4000 0.8525 I 2.6600 1.4000 1.2733 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.1931] _cell_length_b [8.3...	[0.301,0.287,0.469,0.264,0.472,0.164,0.092,0.272,0.329,0.48,0.243,0.296,0.305,0.23,0.54,0.431,0.472,0.329,0.368,0.163,1.0,0.666,0.575,0.438,0.391,0.391,0.36,0.341,0.317,0.282,0.278,0.268,0.264,0.245,0.229,0.19,0.182,0.18,0.177,0.174]
Mattergen	NdHo2MgAu4	data_[Nd3Ho6Mg3Au12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Ho 1.2300 1.7500 1.0410 Mg 1.3100 1.5000 0.8600 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [4.9983] _cell_length_b [4....	[0.399,0.391,0.713,0.569,0.718,0.965,0.277,0.697,0.847,0.951,0.302,0.467,0.235,0.828,0.614,0.231,0.574,0.492,0.879,0.647,1.0,0.925,0.33,0.323,0.184,0.15,0.122,0.116,0.116,0.102,0.084,0.081,0.077,0.071,0.038,0.034,0.033,0.029,0.027,0.026]
Mattergen	Tm3Pd2Pb3	data_[Tm3Pd2Pb3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 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 [7.8318] _cell_length_b [7.8318] _cell_length_c [3.6394] _c...	[0.374,0.389,0.402,0.696,0.725,0.443,0.611,0.48,0.557,0.76,0.309,0.669,0.732,0.252,0.538,0.927,0.822,0.272,0.93,0.803,1.0,0.782,0.492,0.297,0.251,0.216,0.202,0.182,0.158,0.116,0.114,0.107,0.099,0.091,0.09,0.078,0.065,0.064,0.063,0.055]
Mattergen	La6Ru2RhAu	data_[La18Ru6Rh3Au3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Ru 2.2000 1.3000 0.6610 Rh 2.2800 1.3500 0.7450 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.2888] _cell_length_b [7.28...	[0.31,0.406,0.478,0.185,0.534,0.805,0.641,0.828,0.578,0.252,0.775,0.33,0.614,0.431,0.875,0.738,0.916,0.846,0.431,0.466,1.0,0.816,0.519,0.223,0.216,0.212,0.207,0.186,0.163,0.132,0.122,0.093,0.084,0.079,0.078,0.074,0.074,0.057,0.044,0.042]
Mattergen	LiY2HoIn4	data_[Li3Y6Ho3In12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Y 1.2200 1.8000 1.0400 Ho 1.2300 1.7500 1.0410 In 1.7800 1.5500 0.9400 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [5.1955] _cell_length_b [5.19...	[0.378,0.384,0.684,0.547,0.673,0.687,0.113,0.921,0.911,0.223,0.291,0.796,0.809,0.267,0.401,0.347,0.523,0.554,0.487,0.633,1.0,0.97,0.347,0.345,0.177,0.173,0.151,0.148,0.147,0.143,0.11,0.106,0.106,0.052,0.048,0.04,0.036,0.031,0.028,0.025]
Mattergen	CeYCO	data_[Ce3Y3C3O3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Y 1.2200 1.8000 1.0400 C 2.5500 0.7000 0.3000 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [3.5717] _cell_length_b [3.5717] _c...	[0.396,0.341,0.568,0.571,0.343,0.677,0.71,0.957,0.961,0.676,0.679,0.927,0.838,0.17,0.326,0.93,0.932,0.714,0.433,0.597,1.0,0.921,0.342,0.334,0.303,0.272,0.17,0.147,0.143,0.137,0.134,0.114,0.102,0.084,0.061,0.056,0.056,0.055,0.034,0.023]
Mattergen	LaZn3Ni	data_[La4Zn12Ni4] 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 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [6.5228] _cell_length_b [10.0578] _cell_length_c [5.6245] _...	[0.378,0.472,0.364,0.407,0.557,0.586,0.646,0.304,0.627,0.726,0.846,0.739,0.768,0.397,0.779,0.354,0.803,0.719,0.692,0.629,1.0,0.906,0.833,0.696,0.31,0.281,0.208,0.205,0.147,0.136,0.136,0.123,0.122,0.11,0.11,0.108,0.106,0.102,0.1,0.092]
Mattergen	Tm4Cu3Pd	data_[Tm4Cu3Pd1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Cu 1.9000 1.3500 0.8200 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Pmm2] _cell_length_a [3.6569] _cell_length_b [4.4497] _cell_length_c [10.3464] _c...	[0.365,0.459,0.398,0.294,0.451,0.385,0.613,0.448,0.554,0.919,0.604,0.735,0.761,0.766,0.854,0.611,0.691,0.637,0.733,0.825,1.0,0.484,0.354,0.31,0.31,0.264,0.205,0.191,0.169,0.148,0.146,0.143,0.124,0.116,0.105,0.102,0.098,0.095,0.086,0.082]
Mattergen	NdTm(InSe2)2	data_[Nd1Tm1In2Se4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tm 1.2500 1.7500 1.0950 In 1.7800 1.5500 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [P2/m] _cell_length_a [7.2726] _cell_length_b [4.1...	[0.322,0.322,0.442,0.479,0.441,0.587,0.479,0.127,0.668,0.286,0.522,0.586,0.256,0.783,0.783,0.783,0.73,0.73,0.729,0.879,1.0,0.499,0.376,0.347,0.187,0.184,0.175,0.147,0.109,0.1,0.094,0.09,0.086,0.077,0.075,0.075,0.068,0.068,0.067,0.058]
Mattergen	Rb2SbPd	data_[Rb8Sb4Pd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Sb 2.0500 1.4500 0.8300 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [7.2633] _cell_length_b [11.2703] _cell_length_c [7.7347] _c...	[0.324,0.376,0.154,0.512,0.293,0.175,0.552,0.272,0.29,0.314,0.671,0.417,0.493,0.538,0.397,0.421,0.256,0.443,0.311,0.784,1.0,0.44,0.338,0.323,0.308,0.29,0.225,0.216,0.198,0.163,0.158,0.142,0.129,0.126,0.102,0.1,0.092,0.091,0.084,0.083]
Mattergen	Tl2GeSbSe5	data_[Tl8Ge4Sb4Se20] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Ge 2.0100 1.2500 0.7700 Sb 2.0500 1.4500 0.8300 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [Cmc2_1] _cell_length_a [3.9529] _cell_length_b [...	[0.338,0.314,0.241,0.388,0.51,0.328,0.423,0.517,0.359,0.609,0.381,0.203,0.25,0.443,0.303,0.583,0.535,0.437,0.568,0.294,1.0,0.411,0.31,0.306,0.212,0.166,0.154,0.135,0.132,0.128,0.122,0.121,0.118,0.107,0.104,0.104,0.102,0.102,0.102,0.091]
Mattergen	EuSn3Pt	data_[Eu2Sn6Pt2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Eu 1.2000 1.8500 1.1985 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [4.8942] _cell_length_b [4.8942] _cell_length_c [11.3005] _c...	[0.337,0.408,0.333,0.458,0.534,0.588,0.49,0.691,0.652,0.22,0.286,0.617,0.769,0.995,0.892,0.547,0.868,0.825,0.352,0.868,1.0,0.913,0.705,0.396,0.385,0.325,0.275,0.267,0.239,0.232,0.225,0.218,0.181,0.162,0.154,0.126,0.108,0.108,0.107,0.101]
Mattergen	TmAlGa6	data_[Tm1Al1Ga6] 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 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [5.5089] _cell_length_b [5.5089] _cell_length_c [5.7656] _...	[0.419,0.405,0.506,0.673,0.269,0.859,0.171,0.756,0.551,0.886,0.895,0.747,0.402,0.455,0.345,0.591,0.719,0.569,0.798,0.207,1.0,0.635,0.337,0.285,0.283,0.232,0.174,0.17,0.131,0.128,0.105,0.104,0.103,0.095,0.085,0.069,0.066,0.05,0.037,0.034]
Mattergen	TaCrGe	data_[Ta3Cr3Ge3] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ta 1.5000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [6.7747] _cell_length_b [6.7747] _cell_length_c [3.3458] _c...	[0.42,0.455,0.452,0.292,0.516,0.706,0.847,0.628,0.339,0.61,0.83,0.548,0.919,0.981,0.783,0.296,0.979,0.687,0.168,0.913,1.0,0.674,0.331,0.304,0.302,0.242,0.216,0.201,0.175,0.159,0.144,0.141,0.138,0.136,0.124,0.119,0.073,0.063,0.06,0.057]
Mattergen	K2SBr6	data_[K4S2Br12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ K 0.8200 2.2000 1.5200 S 2.5800 1.0000 0.8800 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [7.4541] _cell_length_b [7.4339] _cell_length_c [12.9276] _ce...	[0.326,0.379,0.326,0.325,0.376,0.543,0.541,0.187,0.162,0.545,0.677,0.643,0.186,0.543,0.646,0.646,0.311,0.162,0.298,0.646,1.0,0.756,0.479,0.463,0.424,0.227,0.212,0.169,0.119,0.11,0.096,0.092,0.092,0.085,0.077,0.075,0.074,0.068,0.066,0.063]
Mattergen	Tm3In3Ir2	data_[Tm3In3Ir2] 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 Ir 2.2000 1.3500 0.7650 ] _symmetry_space_group_name_H-M [P-62m] _cell_length_a [7.6025] _cell_length_b [7.6025] _cell_length_c [3.5872] _c...	[0.382,0.412,0.401,0.149,0.711,0.785,0.628,0.457,0.747,0.566,0.555,0.492,0.823,0.749,0.721,0.532,0.945,0.965,0.54,0.962,1.0,0.719,0.688,0.297,0.256,0.225,0.212,0.194,0.179,0.169,0.168,0.128,0.106,0.091,0.078,0.078,0.078,0.073,0.07,0.066]
Mattergen	SmTmInAg	data_[Sm4Tm4In4Ag4] 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 In 1.7800 1.5500 0.9400 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.4714] _cell_length_b [7....	[0.377,0.675,0.542,0.905,0.794,0.265,0.611,0.465,0.85,0.85,0.96,0.229,0.445,0.594,0.836,0.72,0.72,0.946,-100,-100,1.0,0.365,0.178,0.158,0.112,0.031,0.015,0.01,0.008,0.008,0.005,0.003,0.002,0.001,0.001,0.001,0.001,0.0,-100,-100]
Mattergen	CsCa(OsO4)2	data_[Cs1Ca1Os2O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ca 1.0000 1.8000 1.1400 Os 2.2000 1.3000 0.6730 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3m1] _cell_length_a [6.0912] _cell_length_b [6.09...	[0.22,0.326,0.3,0.52,0.585,0.448,0.401,0.562,0.396,0.628,0.578,0.718,0.676,0.772,0.524,0.753,0.233,0.635,0.728,0.815,1.0,0.42,0.402,0.201,0.169,0.167,0.149,0.138,0.129,0.086,0.085,0.079,0.075,0.073,0.065,0.061,0.054,0.051,0.05,0.05]
Mattergen	ErZr2Nb	data_[Er1Zr2Nb1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Zr 1.3300 1.5500 0.8600 Nb 1.6000 1.4500 0.8200 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.5916] _cell_length_b [3.5916] _cell_length_c [7.3718] _...	[0.388,0.393,0.702,0.565,0.307,0.692,0.95,0.575,0.947,0.818,0.55,0.831,0.406,0.765,0.623,0.714,0.654,0.268,0.275,0.879,1.0,0.549,0.348,0.192,0.151,0.123,0.085,0.08,0.076,0.074,0.062,0.06,0.054,0.049,0.047,0.041,0.038,0.037,0.036,0.034]
Mattergen	Cd(InAu)2	data_[Cd2In4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.4981] _cell_length_b [7.4981] _cell_length_c [4.0515] _...	[0.386,0.422,0.667,0.796,0.497,0.244,0.844,0.492,0.615,0.186,0.575,0.54,0.547,0.295,0.786,0.362,0.757,0.978,0.79,0.376,1.0,0.361,0.185,0.171,0.149,0.129,0.104,0.104,0.09,0.07,0.065,0.064,0.063,0.063,0.052,0.051,0.047,0.045,0.038,0.038]
Mattergen	SrTlSn	data_[Sr4Tl4Sn4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Tl 1.6200 1.9000 1.3325 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [12.5605] _cell_length_b [4.9390] _cell_length_c [8.1211] _c...	[0.33,0.365,0.404,0.312,0.322,0.385,0.605,0.155,0.524,0.568,0.307,0.224,0.465,0.702,0.471,0.243,0.682,0.448,0.634,0.666,1.0,0.956,0.472,0.437,0.41,0.312,0.25,0.231,0.218,0.211,0.207,0.189,0.172,0.149,0.136,0.134,0.13,0.12,0.116,0.113]
Mattergen	Be15(NiPd)2	data_[Be45Ni6Pd6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Be 1.5700 1.0500 0.5900 Ni 1.9100 1.3500 0.7400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.2793] _cell_length_b [7.2793] _cell_length_c [10.9394] _...	[0.272,0.398,0.478,0.565,0.387,0.557,0.487,0.557,0.757,0.701,0.824,0.271,0.803,0.818,0.998,0.877,0.679,0.764,0.921,0.742,1.0,0.31,0.3,0.234,0.213,0.213,0.196,0.127,0.11,0.109,0.075,0.068,0.055,0.05,0.046,0.046,0.044,0.041,0.035,0.033]
Mattergen	K2In3SnPt4	data_[K2In3Sn1Pt4] 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 Sn 1.9600 1.4500 0.8300 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.7888] _cell_length_b [4.78...	[0.479,0.417,0.348,0.184,0.226,0.348,0.796,0.602,0.552,0.459,0.71,0.92,0.479,0.651,0.307,0.932,0.517,0.634,0.681,0.891,1.0,0.947,0.814,0.642,0.6,0.522,0.452,0.327,0.281,0.272,0.208,0.188,0.181,0.176,0.145,0.129,0.124,0.108,0.107,0.105]
Mattergen	Cd12Pd5Pt2	data_[Cd24Pd10Pt4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cd 1.6900 1.5500 1.0900 Pd 2.2000 1.4000 0.8462 Pt 2.2800 1.3500 0.8050 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.5009] _cell_length_b [9.2281] _cell_length_c [7.2760] ...	[0.417,0.417,0.425,0.434,0.474,0.369,0.409,0.482,0.202,0.459,0.428,0.763,0.419,0.62,0.814,0.277,0.803,0.582,0.337,0.778,1.0,0.977,0.501,0.403,0.297,0.267,0.252,0.238,0.178,0.177,0.139,0.134,0.134,0.133,0.124,0.112,0.107,0.107,0.107,0.103]
Mattergen	Sr2Si2Ge	data_[Sr8Si8Ge4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Si 1.9000 1.1000 0.5400 Ge 2.0100 1.2500 0.7700 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [11.6498] _cell_length_b [4.6950] _cell_length_c [10.5672] _...	[0.335,0.332,0.426,0.345,0.449,0.432,0.619,0.557,0.655,0.355,0.309,0.236,0.529,0.416,0.4,0.287,0.715,0.728,0.713,0.607,1.0,0.867,0.449,0.407,0.403,0.315,0.215,0.208,0.193,0.193,0.186,0.182,0.159,0.142,0.134,0.127,0.111,0.109,0.095,0.093]
Mattergen	LiFeF4	data_[Li4Fe4F16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Fe 1.8300 1.4000 0.8525 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [I4_1/amd] _cell_length_a [6.3507] _cell_length_b [6.3507] _cell_length_c [6.7828] ...	[0.213,0.312,0.472,0.589,0.498,0.368,0.432,0.597,0.761,0.646,0.665,0.847,0.847,0.689,0.98,0.98,0.828,0.867,0.601,0.686,1.0,0.481,0.357,0.355,0.325,0.256,0.153,0.141,0.137,0.136,0.084,0.081,0.081,0.075,0.056,0.056,0.051,0.047,0.043,0.041]
Mattergen	Tl3Cd	data_[Tl12Cd4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 ] _symmetry_space_group_name_H-M [Cmcm] _cell_length_a [3.6383] _cell_length_b [13.5947] _cell_length_c [9.7681] _cell_angle_alpha [90.0000] _cell...	[0.348,0.356,0.35,0.365,0.675,0.409,0.338,0.547,0.636,0.418,0.557,0.679,0.461,0.709,0.633,0.698,0.454,0.938,0.664,0.56,1.0,0.907,0.553,0.353,0.295,0.282,0.267,0.206,0.188,0.183,0.175,0.15,0.143,0.114,0.114,0.103,0.097,0.093,0.081,0.077]
Mattergen	SrPr2(TlS2)3	data_[Sr2Pr4Tl6S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Sr 0.9500 2.0000 1.3200 Pr 1.1300 1.8500 1.0600 Tl 1.6200 1.9000 1.3325 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.3884] _cell_length_b [12.7...	[0.325,0.283,0.325,0.458,0.471,0.273,0.283,0.581,0.458,0.471,0.539,0.673,0.551,0.551,0.551,0.557,0.559,0.581,0.773,0.772,1.0,0.606,0.5,0.374,0.362,0.345,0.304,0.192,0.187,0.181,0.128,0.118,0.113,0.112,0.112,0.105,0.098,0.096,0.081,0.081]
Mattergen	Ce2Sm(HoP2)3	data_[Ce4Sm2Ho6P12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ce 1.1200 1.8500 1.0800 Sm 1.1700 1.8500 1.2290 Ho 1.2300 1.7500 1.0410 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [7.0059] _cell_length_b [12.1...	[0.348,0.3,0.348,0.498,0.499,0.3,0.301,0.619,0.498,0.499,0.726,0.59,0.591,0.591,0.591,0.591,0.619,0.62,0.824,0.824,1.0,0.63,0.5,0.366,0.364,0.315,0.313,0.192,0.183,0.182,0.118,0.103,0.103,0.103,0.103,0.102,0.096,0.095,0.082,0.082]
Mattergen	TiIn2GaCl6	data_[Ti3In6Ga3Cl18] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ti 1.5400 1.4000 0.8517 In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 Cl 3.1600 1.0000 0.7800 ] _symmetry_space_group_name_H-M [R3] _cell_length_a [7.4938] _cell_length_b [7.49...	[0.264,0.376,0.264,0.464,0.422,0.324,0.464,0.186,0.31,0.54,0.465,0.733,0.609,0.733,0.704,0.609,0.541,0.576,0.411,0.325,1.0,0.915,0.879,0.543,0.444,0.424,0.405,0.292,0.257,0.242,0.199,0.198,0.187,0.171,0.16,0.157,0.141,0.138,0.114,0.112]
Mattergen	CsRu2PtO8	data_[Cs1Ru2Pt1O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Cs 0.7900 2.6000 1.8100 Ru 2.2000 1.3000 0.6610 Pt 2.2800 1.3500 0.8050 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [P-3] _cell_length_a [5.1747] _cell_length_b [5.1747...	[0.302,0.243,0.385,0.102,0.496,0.22,0.641,0.474,0.577,0.752,0.69,0.624,0.885,0.382,0.766,0.44,0.683,0.666,0.205,0.46,1.0,0.413,0.411,0.375,0.257,0.256,0.244,0.223,0.147,0.114,0.114,0.103,0.098,0.075,0.071,0.07,0.067,0.067,0.064,0.064]
Mattergen	La3IN2	data_[La6I2N4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 I 2.6600 1.4000 1.2733 N 3.0400 0.6500 0.6300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [7.4217] _cell_length_b [4.0781] _cell_length_c [12.7178] _cel...	[0.341,0.297,0.278,0.142,0.363,0.282,0.286,0.079,0.494,0.405,0.619,0.297,0.585,0.343,0.325,0.591,0.32,0.507,0.377,0.633,1.0,0.935,0.91,0.821,0.82,0.517,0.49,0.451,0.386,0.343,0.332,0.327,0.29,0.276,0.271,0.267,0.256,0.232,0.207,0.204]
Mattergen	CaCu2Rh3	data_[Ca1Cu2Rh3] 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 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [P6/mmm] _cell_length_a [5.2849] _cell_length_b [5.2849] _cell_length_c [4.1329] _...	[0.503,0.45,0.215,0.437,0.487,0.671,0.974,0.793,0.724,0.239,0.323,0.906,0.986,0.537,0.87,0.588,0.79,0.941,0.377,0.642,1.0,0.95,0.681,0.529,0.381,0.295,0.29,0.25,0.214,0.191,0.181,0.173,0.143,0.124,0.122,0.094,0.075,0.056,0.055,0.049]
Mattergen	CaSiAu	data_[Ca4Si4Au4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Si 1.9000 1.1000 0.5400 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [P2_1/c] _cell_length_a [5.7077] _cell_length_b [5.7788] _cell_length_c [8.2966] _...	[0.368,0.188,0.44,0.259,0.406,0.402,0.379,0.307,0.39,0.249,0.254,0.419,0.517,0.462,0.485,0.622,0.53,0.67,0.8,0.65,1.0,0.837,0.606,0.593,0.5,0.491,0.489,0.48,0.393,0.368,0.338,0.328,0.263,0.228,0.207,0.198,0.175,0.138,0.126,0.125]
Mattergen	La3Pr2HoAs6	data_[La6Pr4Ho2As12] 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 Ho 1.2300 1.7500 1.0410 As 2.1800 1.1500 0.6600 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [18.7719] _cell_length_b [4...	[0.325,0.326,0.466,0.466,0.578,0.466,0.465,0.281,0.674,0.576,0.577,0.765,0.764,0.765,0.764,0.766,0.767,0.281,0.281,0.851,1.0,0.496,0.375,0.374,0.2,0.188,0.188,0.125,0.124,0.1,0.099,0.085,0.085,0.084,0.084,0.084,0.084,0.063,0.063,0.063]
Mattergen	TmCoSn3	data_[Tm4Co4Sn12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Co 1.8800 1.3500 0.7683 Sn 1.9600 1.4500 0.8300 ] _symmetry_space_group_name_H-M [Cmmm] _cell_length_a [4.4695] _cell_length_b [23.9100] _cell_length_c [4.3539] _...	[0.342,0.448,0.461,0.381,0.438,0.658,0.332,0.338,0.498,0.651,0.435,0.731,0.75,0.367,0.767,0.567,0.56,0.577,0.571,0.753,1.0,0.306,0.283,0.271,0.211,0.2,0.191,0.184,0.143,0.133,0.127,0.118,0.108,0.101,0.101,0.09,0.089,0.085,0.085,0.08]
Mattergen	Cs3Ce3NdSe8	data_[Cs9Ce9Nd3Se24] 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 Nd 1.1400 1.8500 1.2765 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [8.7159] _cell_length_b [8....	[0.305,0.46,0.411,0.116,0.561,0.747,0.381,0.63,0.477,0.807,0.902,0.625,0.678,0.233,0.512,0.273,0.84,0.521,0.476,0.965,1.0,0.368,0.313,0.251,0.183,0.154,0.12,0.09,0.089,0.086,0.086,0.08,0.077,0.075,0.071,0.065,0.062,0.055,0.049,0.048]
Mattergen	Hg4Br	data_[Hg32Br8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Hg 2.0000 1.5000 1.2450 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [I-43m] _cell_length_a [10.7302] _cell_length_b [10.7302] _cell_length_c [10.7302] _cell_angle_alpha [90.0000] _c...	[0.394,0.394,0.32,0.184,0.438,0.347,0.533,0.794,0.794,0.794,0.632,0.648,0.708,0.708,0.708,0.478,0.478,0.371,0.955,0.955,1.0,1.0,0.854,0.415,0.371,0.345,0.288,0.267,0.267,0.267,0.217,0.213,0.198,0.198,0.198,0.197,0.197,0.17,0.151,0.151]
Mattergen	LaPrMgHg	data_[La4Pr4Mg4Hg4] 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 Mg 1.3100 1.5000 0.8600 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.8100] _cell_length_b [7....	[0.36,0.643,0.219,0.517,0.858,0.425,0.754,0.566,0.686,0.686,0.794,0.959,0.996,0.996,0.896,0.253,0.582,0.444,0.807,0.807,1.0,0.385,0.262,0.184,0.166,0.155,0.119,0.069,0.053,0.053,0.052,0.043,0.032,0.032,0.019,0.015,0.005,0.004,0.002,0.002]
Mattergen	Li5Rh	data_[Li10Rh2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Li 0.9800 1.4500 0.9000 Rh 2.2800 1.3500 0.7450 ] _symmetry_space_group_name_H-M [Amm2] _cell_length_a [4.5547] _cell_length_b [2.7111] _cell_length_c [15.4147] _cell_angle_alpha [90.0000] _cell...	[0.128,0.252,0.217,0.473,0.256,0.435,0.338,0.373,0.448,0.417,0.545,0.459,0.618,0.44,0.587,0.494,0.388,0.64,0.515,0.678,1.0,0.404,0.286,0.212,0.188,0.185,0.168,0.142,0.136,0.131,0.111,0.085,0.082,0.078,0.076,0.07,0.067,0.058,0.057,0.053]
Mattergen	Tb2GaSi3Pd4	data_[Tb2Ga1Si3Pd4] 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 Si 1.9000 1.1000 0.5400 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P-4m2] _cell_length_a [4.1934] _cell_length_b [4....	[0.39,0.379,0.479,0.623,0.556,0.821,0.757,0.696,0.349,0.335,0.705,0.307,0.255,0.989,0.634,0.394,0.525,0.293,0.814,0.935,1.0,0.57,0.526,0.272,0.252,0.223,0.198,0.171,0.147,0.125,0.124,0.121,0.091,0.077,0.075,0.074,0.07,0.069,0.061,0.056]
Mattergen	Rb3Ce2PdSe6	data_[Rb6Ce4Pd2Se12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Ce 1.1200 1.8500 1.0800 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 [7.7824] _cell_length_b [12...	[0.323,0.297,0.458,0.123,0.429,0.584,0.493,0.431,0.406,0.727,0.555,0.247,0.509,0.67,0.612,0.685,0.504,0.767,0.481,0.803,1.0,0.691,0.413,0.399,0.371,0.187,0.167,0.143,0.128,0.096,0.087,0.086,0.08,0.074,0.07,0.065,0.064,0.06,0.06,0.059]
Mattergen	Tm5Mg4Sc	data_[Tm5Mg4Sc1] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tm 1.2500 1.7500 1.0950 Mg 1.3100 1.5000 0.8600 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [P4/mmm] _cell_length_a [3.6311] _cell_length_b [3.6311] _cell_length_c [20.2154] ...	[0.368,0.272,0.388,0.244,0.684,0.463,0.645,0.558,0.575,0.616,0.63,0.773,0.498,0.834,0.836,0.926,0.937,0.984,0.82,0.868,1.0,0.53,0.441,0.338,0.336,0.264,0.191,0.157,0.135,0.116,0.111,0.111,0.103,0.092,0.082,0.072,0.071,0.067,0.05,0.044]
Mattergen	CaTlSbBr6	data_[Ca1Tl1Sb1Br6] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ca 1.0000 1.8000 1.1400 Tl 1.6200 1.9000 1.3325 Sb 2.0500 1.4500 0.8300 Br 2.9600 1.1500 0.8825 ] _symmetry_space_group_name_H-M [P312] _cell_length_a [7.4497] _cell_length_b [7.4...	[0.204,0.382,0.299,0.467,0.433,0.337,0.615,0.585,0.748,0.799,0.494,0.591,0.307,0.312,0.52,0.44,0.153,0.562,0.555,0.835,1.0,0.859,0.772,0.427,0.342,0.241,0.189,0.177,0.166,0.164,0.155,0.139,0.127,0.125,0.12,0.113,0.107,0.103,0.078,0.073]
Mattergen	LaCd3Ag8	data_[La3Cd9Ag24] 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 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [R3m] _cell_length_a [5.6646] _cell_length_b [5.6646] _cell_length_c [27.5455] _c...	[0.414,0.433,0.414,0.416,0.351,0.353,0.733,0.737,0.668,0.667,0.436,0.884,0.871,0.626,0.67,0.504,0.887,0.882,0.625,0.87,1.0,0.621,0.536,0.532,0.308,0.286,0.281,0.251,0.25,0.235,0.18,0.127,0.114,0.108,0.103,0.088,0.073,0.072,0.057,0.057]
Mattergen	MnCoSiRu	data_[Mn4Co4Si4Ru4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Mn 1.5500 1.4000 0.6483 Co 1.8800 1.3500 0.7683 Si 1.9000 1.1000 0.5400 Ru 2.2000 1.3000 0.6610 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [5.7974] _cell_length_b [5....	[0.491,0.903,0.714,0.343,0.296,0.582,0.811,0.61,0.787,0.971,0.971,-100,-100,-100,-100,-100,-100,-100,-100,-100,1.0,0.308,0.154,0.143,0.105,0.049,0.046,0.038,0.019,0.015,0.015,-100,-100,-100,-100,-100,-100,-100,-100,-100]
Mattergen	FePbS	data_[Fe2Pb2S2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Fe 1.8300 1.4000 0.8525 Pb 2.3300 1.8000 1.1225 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [P4/nmm] _cell_length_a [3.5566] _cell_length_b [3.5566] _cell_length_c [11.0974] _c...	[0.332,0.407,0.089,0.543,0.389,0.292,0.673,0.177,0.397,0.571,0.267,0.623,0.708,0.452,0.75,0.359,0.692,0.883,0.459,0.968,1.0,0.406,0.371,0.355,0.295,0.278,0.271,0.258,0.184,0.178,0.137,0.114,0.112,0.106,0.096,0.093,0.09,0.086,0.075,0.071]
Mattergen	Tl2CdIn2Hg7	data_[Tl4Cd2In4Hg14] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tl 1.6200 1.9000 1.3325 Cd 1.6900 1.5500 1.0900 In 1.7800 1.5500 0.9400 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [Cm] _cell_length_a [21.4571] _cell_length_b [5.6...	[0.376,0.385,0.353,0.354,0.506,0.639,0.644,0.649,0.656,0.698,0.585,0.839,0.84,0.791,0.847,0.811,0.862,0.737,0.687,0.739,1.0,0.945,0.624,0.621,0.466,0.222,0.217,0.212,0.206,0.146,0.124,0.107,0.106,0.101,0.098,0.095,0.095,0.077,0.076,0.076]
Mattergen	Na2NdBi2Pb	data_[Na4Nd2Bi4Pb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nd 1.1400 1.8500 1.2765 Bi 2.0200 1.6000 1.0350 Pb 2.3300 1.8000 1.1225 ] _symmetry_space_group_name_H-M [Pmc2_1] _cell_length_a [4.6273] _cell_length_b [1...	[0.384,0.321,0.336,0.263,0.097,0.316,0.153,0.433,0.228,0.234,0.411,0.543,0.691,0.433,0.609,0.752,0.495,0.463,0.466,0.411,1.0,0.909,0.596,0.532,0.476,0.436,0.429,0.384,0.323,0.271,0.266,0.2,0.198,0.18,0.174,0.147,0.14,0.139,0.138,0.133]
Mattergen	LaErTm	data_[La2Er2Tm2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ La 1.1000 1.9500 1.1720 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.6011] _cell_length_b [3.6011] _cell_length_c [15.1952] _c...	[0.338,0.392,0.67,0.565,0.394,0.673,0.704,0.563,0.92,0.918,0.947,0.948,0.952,0.828,0.129,0.833,0.431,0.414,0.676,0.729,1.0,0.341,0.289,0.238,0.165,0.137,0.123,0.122,0.114,0.06,0.056,0.055,0.051,0.039,0.02,0.018,0.011,0.005,0.005,0.005]
Mattergen	Tb2InGa2	data_[Tb4In2Ga4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Tb 1.1000 1.7500 0.9815 In 1.7800 1.5500 0.9400 Ga 1.8100 1.3000 0.7600 ] _symmetry_space_group_name_H-M [P4/mbm] _cell_length_a [7.2426] _cell_length_b [7.2426] _cell_length_c [4.4549] _...	[0.38,0.354,0.437,0.45,0.641,0.626,0.774,0.306,0.643,0.295,0.389,0.578,0.772,0.817,0.755,0.607,0.979,0.552,0.758,0.597,1.0,0.465,0.347,0.235,0.222,0.146,0.125,0.124,0.123,0.111,0.098,0.09,0.089,0.088,0.081,0.054,0.052,0.051,0.051,0.045]
Mattergen	Sr2Ca(GaP2)2	data_[Sr4Ca2Ga4P8] 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 Ga 1.8100 1.3000 0.7600 P 2.1900 1.0000 0.5500 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [15.3550] _cell_length_b [4.00...	[0.38,0.324,0.37,0.305,0.503,0.287,0.162,0.326,0.605,0.386,0.448,0.411,0.348,0.496,0.39,0.489,0.689,0.527,0.462,0.774,1.0,0.767,0.579,0.5,0.43,0.428,0.422,0.387,0.306,0.299,0.263,0.258,0.254,0.236,0.216,0.211,0.181,0.181,0.151,0.148]
Mattergen	ErAgHgF6	data_[Er2Ag2Hg2F12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Er 1.2400 1.7500 1.0300 Ag 1.9300 1.6000 1.0867 Hg 2.0000 1.5000 1.2450 F 3.9800 0.5000 0.7050 ] _symmetry_space_group_name_H-M [P4_2nm] _cell_length_a [5.3526] _cell_length_b [5....	[0.261,0.329,0.503,0.372,0.639,0.621,0.534,0.602,0.758,0.868,0.853,0.798,0.683,0.205,0.555,0.891,0.9,0.782,0.837,0.18,1.0,0.903,0.742,0.25,0.221,0.185,0.182,0.174,0.155,0.133,0.13,0.102,0.101,0.091,0.088,0.059,0.057,0.049,0.047,0.035]
Mattergen	Na4Ir3RhSe8	data_[Na12Ir9Rh3Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Ir 2.2000 1.3500 0.7650 Rh 2.2800 1.3500 0.7450 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.7064] _cell_length_b [7...	[0.149,0.36,0.524,0.466,0.508,0.548,0.301,0.649,0.648,0.869,0.934,0.721,0.963,0.753,0.869,0.975,0.845,0.599,0.809,0.992,1.0,0.963,0.38,0.318,0.247,0.231,0.206,0.176,0.15,0.149,0.089,0.088,0.079,0.075,0.065,0.065,0.053,0.049,0.047,0.046]
Mattergen	Pr2GaSb	data_[Pr4Ga2Sb2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 Ga 1.8100 1.3000 0.7600 Sb 2.0500 1.4500 0.8300 ] _symmetry_space_group_name_H-M [P2_1/m] _cell_length_a [6.2385] _cell_length_b [4.2936] _cell_length_c [9.0310] _...	[0.327,0.327,0.409,0.41,0.343,0.432,0.468,0.416,0.652,0.59,0.335,0.335,0.287,0.562,0.56,0.754,0.659,0.66,0.752,0.837,1.0,0.99,0.641,0.637,0.616,0.537,0.432,0.328,0.32,0.266,0.261,0.258,0.167,0.155,0.153,0.127,0.126,0.126,0.125,0.123]
Mattergen	NdCdAg	data_[Nd2Cd2Ag2] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Cd 1.6900 1.5500 1.0900 Ag 1.9300 1.6000 1.0867 ] _symmetry_space_group_name_H-M [I4mm] _cell_length_a [3.7976] _cell_length_b [3.7976] _cell_length_c [10.2914] _c...	[0.392,0.371,0.676,0.532,0.716,0.828,0.888,0.9,0.779,0.594,0.995,0.278,0.545,0.976,0.76,0.387,0.673,0.609,0.897,0.56,1.0,0.607,0.393,0.215,0.145,0.094,0.093,0.086,0.067,0.065,0.049,0.042,0.033,0.031,0.029,0.022,0.018,0.011,0.008,0.004]
Mattergen	Ho3HgPd5	data_[Ho6Hg2Pd10] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ho 1.2300 1.7500 1.0410 Hg 2.0000 1.5000 1.2450 Pd 2.2000 1.4000 0.8462 ] _symmetry_space_group_name_H-M [P6_3/mcm] _cell_length_a [8.4498] _cell_length_b [8.4498] _cell_length_c [5.8135...	[0.409,0.417,0.596,0.743,0.847,0.738,0.871,0.541,0.712,0.4,0.342,0.29,0.27,0.134,0.777,0.527,0.822,0.993,0.368,0.961,1.0,0.897,0.302,0.299,0.238,0.154,0.09,0.079,0.07,0.069,0.06,0.06,0.043,0.042,0.039,0.039,0.025,0.025,0.024,0.023]
Mattergen	Rb3Er2ScS6	data_[Rb6Er4Sc2S12] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Rb 0.8200 2.3500 1.6600 Er 1.2400 1.7500 1.0300 Sc 1.3600 1.6000 0.8850 S 2.5800 1.0000 0.8800 ] _symmetry_space_group_name_H-M [C2/m] _cell_length_a [6.9074] _cell_length_b [11.9...	[0.336,0.336,0.3,0.454,0.258,0.505,0.128,0.3,0.454,0.617,0.505,0.528,0.698,0.17,0.528,0.697,0.574,0.574,0.574,0.618,1.0,0.5,0.388,0.355,0.347,0.328,0.284,0.194,0.177,0.167,0.164,0.146,0.097,0.094,0.087,0.086,0.084,0.084,0.084,0.084]
Mattergen	NdTlNi4	data_[Nd4Tl4Ni16] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Nd 1.1400 1.8500 1.2765 Tl 1.6200 1.9000 1.3325 Ni 1.9100 1.3500 0.7400 ] _symmetry_space_group_name_H-M [F-43m] _cell_length_a [7.1782] _cell_length_b [7.1782] _cell_length_c [7.1782] _...	[0.464,0.393,0.754,0.754,0.705,0.831,0.238,0.485,0.995,0.951,0.62,0.877,0.276,0.638,0.565,0.892,0.892,-100,-100,-100,1.0,0.663,0.307,0.307,0.246,0.22,0.18,0.145,0.112,0.111,0.047,0.039,0.017,0.01,0.008,0.005,0.005,-100,-100,-100]
Mattergen	BaMgTlHg2	data_[Ba2Mg2Tl2Hg4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Ba 0.8900 2.1500 1.4900 Mg 1.3100 1.5000 0.8600 Tl 1.6200 1.9000 1.3325 Hg 2.0000 1.5000 1.2450 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.5836] _cell_length_b [4....	[0.335,0.406,0.297,0.226,0.437,0.413,0.609,0.536,0.306,0.631,0.789,0.496,0.73,0.728,0.776,0.921,0.772,0.88,0.557,0.613,1.0,0.921,0.845,0.808,0.716,0.606,0.583,0.346,0.3,0.247,0.23,0.225,0.22,0.208,0.198,0.185,0.145,0.124,0.115,0.112]
Mattergen	Dy2ErTmSc2	data_[Dy4Er2Tm2Sc4] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Dy 1.2200 1.7500 1.1310 Er 1.2400 1.7500 1.0300 Tm 1.2500 1.7500 1.0950 Sc 1.3600 1.6000 0.8850 ] _symmetry_space_group_name_H-M [Pnnm] _cell_length_a [6.8671] _cell_length_b [9.3...	[0.359,0.369,0.36,0.368,0.522,0.255,0.715,0.651,0.653,0.654,0.523,0.658,0.256,0.714,0.93,0.593,0.774,0.211,0.66,0.878,1.0,0.887,0.496,0.447,0.351,0.314,0.26,0.182,0.182,0.178,0.177,0.167,0.158,0.13,0.125,0.115,0.102,0.1,0.083,0.077]
Mattergen	AlAgAu2	data_[Al2Ag2Au4] 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 Au 2.5400 1.3500 1.0700 ] _symmetry_space_group_name_H-M [I-4m2] _cell_length_a [4.0358] _cell_length_b [4.0358] _cell_length_c [8.5069] _c...	[0.422,0.271,0.499,0.869,0.706,0.472,0.831,0.431,0.902,0.575,0.727,0.676,0.655,0.856,0.232,0.978,0.788,0.348,0.875,0.922,1.0,0.384,0.311,0.247,0.221,0.182,0.139,0.121,0.113,0.109,0.101,0.068,0.037,0.036,0.029,0.027,0.022,0.021,0.017,0.015]
Mattergen	PrSO	data_[Pr8S8O8] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Pr 1.1300 1.8500 1.0600 S 2.5800 1.0000 0.8800 O 3.4400 0.6000 1.2600 ] _symmetry_space_group_name_H-M [Cmce] _cell_length_a [13.1598] _cell_length_b [5.9076] _cell_length_c [5.9024] _cell_...	[0.328,0.248,0.482,0.336,0.337,0.15,0.592,0.593,0.457,0.577,0.577,0.457,0.456,0.755,0.681,0.79,0.547,0.548,0.507,0.594,1.0,0.267,0.175,0.144,0.144,0.127,0.121,0.121,0.098,0.097,0.097,0.087,0.087,0.084,0.08,0.08,0.08,0.08,0.074,0.051]
Mattergen	Na3NbCr3Se8	data_[Na9Nb3Cr9Se24] loop_ _atom_type_symbol _atom_type_electronegativity _atom_type_radius _atom_type_ionic_radius [ Na 0.9300 1.8000 1.1600 Nb 1.6000 1.4500 0.8200 Cr 1.6600 1.4000 0.9400 Se 2.5500 1.1500 1.0133 ] _symmetry_space_group_name_H-M [R-3m] _cell_length_a [7.3866] _cell_length_b [7....	[0.364,0.14,0.548,0.494,0.457,0.672,0.324,0.908,0.62,0.967,0.762,0.568,0.99,0.827,0.863,0.735,0.964,0.577,0.281,0.737,1.0,0.514,0.327,0.311,0.194,0.157,0.134,0.128,0.125,0.089,0.079,0.079,0.078,0.073,0.046,0.045,0.043,0.038,0.033,0.031]

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.