# generated using pymatgen data_MgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34160057 _cell_length_b 3.45410976 _cell_length_c 17.62286319 _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 325.15019077 _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 -0.00000000 0.99601358 1.0 Mg Mg1 1 -0.00000000 -0.00000000 0.33934536 1.0 Mg Mg2 1 0.50000000 -0.00000000 0.21772778 1.0 Mg Mg3 1 -0.00000000 0.50000000 0.49601358 1.0 Mg Mg4 1 0.00000000 0.50000000 0.83934536 1.0 Mg Mg5 1 0.50000000 0.50000000 0.71772778 1.0 Bi Bi6 1 0.00000000 0.50000000 0.18553609 1.0 Bi Bi7 1 0.50000000 0.50000000 0.37338552 1.0 Bi Bi8 1 0.50000000 0.50000000 0.05465866 1.0 Bi Bi9 1 0.00000000 -0.00000000 0.68553609 1.0 Bi Bi10 1 0.50000000 -0.00000000 0.87338552 1.0 Bi Bi11 1 0.50000000 0.00000000 0.55465866 1.0