# generated using pymatgen data_Ca19Yb(Bi2Sb)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40158973 _cell_length_b 9.68098193 _cell_length_c 12.72463241 _cell_angle_alpha 89.99998972 _cell_angle_beta 90.01378245 _cell_angle_gamma 89.99998159 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca19Yb(Bi2Sb)4 _chemical_formula_sum 'Ca19 Yb1 Bi8 Sb4' _cell_volume 1034.96607097 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca Ca0 1 0.46269642 0.75000000 0.00560226 1.0 Ca Ca1 1 0.96302318 0.25000000 0.49462591 1.0 Ca Ca2 1 0.53681686 0.25000000 0.99521451 1.0 Ca Ca3 1 0.03717376 0.75000100 0.50459149 1.0 Ca Ca4 1 0.65003242 0.74999900 0.29193979 1.0 Ca Ca5 1 0.15035278 0.25000000 0.20782299 1.0 Ca Ca6 1 0.34971359 0.25000100 0.70788155 1.0 Ca Ca7 1 0.85016491 0.75000000 0.79249216 1.0 Ca Ca8 1 0.31962777 0.75000000 0.72636276 1.0 Ca Ca9 1 0.81942019 0.25000100 0.77345999 1.0 Ca Ca10 1 0.68055389 0.25000000 0.27336952 1.0 Ca Ca11 1 0.30918393 0.45715971 0.42471956 1.0 Ca Ca12 1 0.80936296 0.54316409 0.07514836 1.0 Ca Ca13 1 0.69052384 0.95678736 0.57486659 1.0 Ca Ca14 1 0.19064929 0.04289452 0.92520239 1.0 Ca Ca15 1 0.69052284 0.54321264 0.57486659 1.0 Ca Ca16 1 0.19064829 0.45710648 0.92520139 1.0 Ca Ca17 1 0.30918393 0.04284029 0.42472056 1.0 Ca Ca18 1 0.80936196 0.95683491 0.07514836 1.0 Yb Yb19 1 0.18078668 0.75000000 0.22657767 1.0 Bi Bi20 1 0.43568972 0.01184800 0.17180087 1.0 Bi Bi21 1 0.93777823 0.98634195 0.32781233 1.0 Bi Bi22 1 0.56338951 0.51279567 0.82860523 1.0 Bi Bi23 1 0.06340367 0.48739319 0.67152567 1.0 Bi Bi24 1 0.56338951 0.98720433 0.82860523 1.0 Bi Bi25 1 0.06340467 0.01260581 0.67152567 1.0 Bi Bi26 1 0.43569072 0.48815200 0.17180087 1.0 Bi Bi27 1 0.93777823 0.51365805 0.32781133 1.0 Sb Sb28 1 0.07885403 0.75000000 0.98549301 1.0 Sb Sb29 1 0.57840883 0.25000000 0.51589066 1.0 Sb Sb30 1 0.92141202 0.25000000 0.01604251 1.0 Sb Sb31 1 0.42100138 0.74999900 0.48327025 1.0