# generated using pymatgen data_Ca3Yb2Bi2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.25088167 _cell_length_b 9.26695495 _cell_length_c 7.02857292 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.94134668 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Yb2Bi2Pb _chemical_formula_sum 'Ca6 Yb4 Bi4 Pb2' _cell_volume 522.12482429 _cell_formula_units_Z 2 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 0.00405423 0.72721543 0.75000000 1.0 Ca Ca1 1 0.72316408 0.72722275 0.25000000 1.0 Ca Ca2 1 0.27683592 0.27277725 0.75000000 1.0 Ca Ca3 1 0.72564495 0.00000046 0.75000000 1.0 Ca Ca4 1 0.27435505 0.99999954 0.25000000 1.0 Ca Ca5 1 0.99594577 0.27278457 0.25000000 1.0 Yb Yb6 1 0.33860419 0.67720640 0.49999995 1.0 Yb Yb7 1 0.66139581 0.32279360 0.50000005 1.0 Yb Yb8 1 0.33860419 0.67720640 0.00000005 1.0 Yb Yb9 1 0.66139581 0.32279360 0.99999995 1.0 Bi Bi10 1 0.37479463 0.37897366 0.25000000 1.0 Bi Bi11 1 0.00417953 0.37897399 0.75000000 1.0 Bi Bi12 1 0.62520537 0.62102634 0.75000000 1.0 Bi Bi13 1 0.99582047 0.62102601 0.25000000 1.0 Pb Pb14 1 0.62391422 0.00001063 0.25000000 1.0 Pb Pb15 1 0.37608578 0.99998937 0.75000000 1.0