# generated using pymatgen data_MgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65453238 _cell_length_b 6.65453238 _cell_length_c 8.40332989 _cell_angle_alpha 71.72447819 _cell_angle_beta 71.72447819 _cell_angle_gamma 29.56233019 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2 _chemical_formula_sum 'Mg2 Bi4' _cell_volume 173.67064541 _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 Mg Mg0 1 0.52949000 0.52949000 0.19479900 1.0 Mg Mg1 1 0.47051000 0.47051000 0.80520100 1.0 Bi Bi2 1 0.82321500 0.82321500 0.11718600 1.0 Bi Bi3 1 0.12641000 0.12641000 0.48989200 1.0 Bi Bi4 1 0.87359000 0.87359000 0.51010800 1.0 Bi Bi5 1 0.17678500 0.17678500 0.88281400 1.0