# generated using pymatgen data_MgBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.89482363 _cell_length_b 6.89482363 _cell_length_c 7.92998876 _cell_angle_alpha 72.64961100 _cell_angle_beta 72.64961100 _cell_angle_gamma 29.94641168 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBi2 _chemical_formula_sum 'Mg2 Bi4' _cell_volume 178.99403850 _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 0.80053700 0.80053700 0.64383300 1.0 Mg Mg1 1 0.19946300 0.19946300 0.35616700 1.0 Bi Bi2 1 0.15653800 0.15653800 0.96633000 1.0 Bi Bi3 1 0.55669300 0.55669300 0.65556000 1.0 Bi Bi4 1 0.44330700 0.44330700 0.34444000 1.0 Bi Bi5 1 0.84346200 0.84346200 0.03367000 1.0