# generated using pymatgen data_Mg2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28511043 _cell_length_b 3.40498530 _cell_length_c 17.36034717 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Bi _chemical_formula_sum 'Mg8 Bi4' _cell_volume 312.41200446 _cell_formula_units_Z 4 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 0.00592010 1.0 Mg Mg1 1 0.00000000 0.50000000 0.16266431 1.0 Mg Mg2 1 -0.00000000 0.00000000 0.33095850 1.0 Mg Mg3 1 0.50000000 0.50000000 0.05553316 1.0 Mg Mg4 1 0.00000000 0.50000000 0.50592010 1.0 Mg Mg5 1 0.00000000 0.00000000 0.66266431 1.0 Mg Mg6 1 -0.00000000 0.50000000 0.83095850 1.0 Mg Mg7 1 0.50000000 0.00000000 0.55553316 1.0 Bi Bi8 1 0.50000000 0.50000000 0.40288266 1.0 Bi Bi9 1 0.50000000 0.00000000 0.20870827 1.0 Bi Bi10 1 0.50000000 0.00000000 0.90288266 1.0 Bi Bi11 1 0.50000000 0.50000000 0.70870827 1.0