# generated using pymatgen data_Ca5Yb(ScSb3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.10997302 _cell_length_b 8.04419232 _cell_length_c 7.99354234 _cell_angle_alpha 109.36934183 _cell_angle_beta 109.74761995 _cell_angle_gamma 109.82866416 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5Yb(ScSb3)2 _chemical_formula_sum 'Ca5 Yb1 Sc2 Sb6' _cell_volume 398.77597294 _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 0.00176024 0.35270513 0.49630809 1.0 Ca Ca1 1 0.35298766 0.49560554 0.99725193 1.0 Ca Ca2 1 0.00445220 0.85587215 0.50300095 1.0 Ca Ca3 1 0.85626314 0.49916687 0.00291624 1.0 Ca Ca4 1 0.50049056 0.00430244 0.86097699 1.0 Yb Yb5 1 0.13947894 0.14351995 0.13915259 1.0 Sc Sc6 1 0.49646862 0.00124040 0.35561247 1.0 Sc Sc7 1 0.64198514 0.64570950 0.64478206 1.0 Sb Sb8 1 0.85346777 0.10613372 0.72932729 1.0 Sb Sb9 1 0.38923633 0.25607376 0.61512634 1.0 Sb Sb10 1 0.12331843 0.75266617 0.88192544 1.0 Sb Sb11 1 0.74287129 0.87071168 0.11846115 1.0 Sb Sb12 1 0.27383936 0.63920232 0.38342832 1.0 Sb Sb13 1 0.62337632 0.37709038 0.27173013 1.0