# generated using pymatgen data_Mg2Bi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.76714657 _cell_length_b 6.76714657 _cell_length_c 9.68006100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000553 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mg2Bi3O8 _chemical_formula_sum 'Mg4 Bi6 O16' _cell_volume 383.90155123 _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 0.66666700 0.33333300 0.03056500 1.0 Mg Mg1 1 0.33333300 0.66666700 0.53056500 1.0 Mg Mg2 1 0.66666700 0.33333300 0.40105500 1.0 Mg Mg3 1 0.33333300 0.66666700 0.90105500 1.0 Bi Bi4 1 0.66788400 0.83394200 0.24150100 1.0 Bi Bi5 1 0.83394200 0.16605800 0.74150100 1.0 Bi Bi6 1 0.16605800 0.33211600 0.24150100 1.0 Bi Bi7 1 0.83394200 0.66788400 0.74150100 1.0 Bi Bi8 1 0.33211600 0.16605800 0.74150100 1.0 Bi Bi9 1 0.16605800 0.83394200 0.24150100 1.0 O O10 1 0.82367000 0.17633000 0.14270000 1.0 O O11 1 0.64734000 0.82367000 0.64270000 1.0 O O12 1 0.17633000 0.35266000 0.64270000 1.0 O O13 1 0.82367000 0.64734000 0.14270000 1.0 O O14 1 0.35266000 0.17633000 0.14270000 1.0 O O15 1 0.17633000 0.82367000 0.64270000 1.0 O O16 1 0.51648000 0.48352000 0.88233600 1.0 O O17 1 0.03296100 0.51648000 0.38233600 1.0 O O18 1 0.48352000 0.96703900 0.38233600 1.0 O O19 1 0.51648000 0.03296100 0.88233600 1.0 O O20 1 0.00000000 0.00000000 0.35216100 1.0 O O21 1 0.00000000 0.00000000 0.85216100 1.0 O O22 1 0.33333300 0.66666700 0.11011000 1.0 O O23 1 0.96703900 0.48352000 0.88233600 1.0 O O24 1 0.48352000 0.51648000 0.38233600 1.0 O O25 1 0.66666700 0.33333300 0.61011000 1.0