# generated using pymatgen data_MgBi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53879989 _cell_length_b 3.59538729 _cell_length_c 16.89860491 _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 336.52102727 _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 0.16502679 1.0 Mg Mg1 1 0.50000000 0.50000000 0.39013948 1.0 Mg Mg2 1 0.50000000 0.00000000 0.22589884 1.0 Mg Mg3 1 -0.00000000 0.00000000 0.66502679 1.0 Mg Mg4 1 0.50000000 -0.00000000 0.89013948 1.0 Mg Mg5 1 0.50000000 0.50000000 0.72589884 1.0 Bi Bi6 1 -0.00000000 0.00000000 0.01430952 1.0 Bi Bi7 1 -0.00000000 0.00000000 0.31081007 1.0 Bi Bi8 1 0.50000000 0.50000000 0.06048229 1.0 Bi Bi9 1 -0.00000000 0.50000000 0.51430952 1.0 Bi Bi10 1 -0.00000000 0.50000000 0.81081007 1.0 Bi Bi11 1 0.50000000 0.00000000 0.56048229 1.0