# generated using pymatgen data_MgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.33201648 _cell_length_b 3.54292585 _cell_length_c 17.73861396 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi _chemical_formula_sum 'Mg6 Bi6' _cell_volume 335.09907461 _cell_formula_units_Z 6 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 Mg Mg0 1 -0.00000000 0.50000000 0.16457142 1.0 Mg Mg1 1 0.50000000 0.50000000 0.06022714 1.0 Mg Mg2 1 0.50000000 0.00000000 0.21371811 1.0 Mg Mg3 1 -0.00000000 0.00000000 0.66457142 1.0 Mg Mg4 1 0.50000000 -0.00000000 0.56022714 1.0 Mg Mg5 1 0.50000000 0.50000000 0.71371811 1.0 Bi Bi6 1 0.00000000 0.00000000 0.01802987 1.0 Bi Bi7 1 0.00000000 -0.00000000 0.30551025 1.0 Bi Bi8 1 0.50000000 0.50000000 0.40461021 1.0 Bi Bi9 1 0.00000000 0.50000000 0.51802987 1.0 Bi Bi10 1 -0.00000000 0.50000000 0.80551025 1.0 Bi Bi11 1 0.50000000 0.00000000 0.90461021 1.0