# generated using pymatgen data_MgBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.65167900 _cell_length_b 5.70683000 _cell_length_c 8.29280100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural MgBiO3 _chemical_formula_sum 'Mg4 Bi4 O12' _cell_volume 267.46913094 _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 0.51593200 0.02813500 0.75000000 1.0 Mg Mg1 1 0.01593200 0.47186500 0.25000000 1.0 Mg Mg2 1 0.98406800 0.52813500 0.75000000 1.0 Mg Mg3 1 0.48406800 0.97186500 0.25000000 1.0 Bi Bi4 1 0.00000000 0.00000000 0.50000000 1.0 Bi Bi5 1 0.50000000 0.50000000 0.50000000 1.0 Bi Bi6 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi7 1 0.00000000 0.00000000 0.00000000 1.0 O O8 1 0.35415800 0.61977300 0.25000000 1.0 O O9 1 0.85415800 0.88022700 0.75000000 1.0 O O10 1 0.14584200 0.11977300 0.25000000 1.0 O O11 1 0.64584200 0.38022700 0.75000000 1.0 O O12 1 0.16123800 0.33609300 0.92106800 1.0 O O13 1 0.66123800 0.16390700 0.07893200 1.0 O O14 1 0.33876200 0.83609300 0.57893200 1.0 O O15 1 0.83876200 0.66390700 0.42106800 1.0 O O16 1 0.16123800 0.33609300 0.57893200 1.0 O O17 1 0.66123800 0.16390700 0.42106800 1.0 O O18 1 0.83876200 0.66390700 0.07893200 1.0 O O19 1 0.33876200 0.83609300 0.92106800 1.0