# generated using pymatgen data_Bi12IrO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.96862317 _cell_length_b 8.96862317 _cell_length_c 8.96862317 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi12IrO20 _chemical_formula_sum 'Bi12 Ir1 O20' _cell_volume 555.33550348 _cell_formula_units_Z 1 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 Bi Bi0 1 0.49739400 0.33570700 0.19386000 1.0 Bi Bi1 1 0.50260600 0.69646600 0.83831300 1.0 Bi Bi2 1 0.85815300 0.66429300 0.16168700 1.0 Bi Bi3 1 0.33570700 0.19386000 0.49739400 1.0 Bi Bi4 1 0.14184700 0.30353400 0.80614000 1.0 Bi Bi5 1 0.69646600 0.83831300 0.50260600 1.0 Bi Bi6 1 0.66429300 0.16168700 0.85815300 1.0 Bi Bi7 1 0.30353400 0.80614000 0.14184700 1.0 Bi Bi8 1 0.19386000 0.49739400 0.33570700 1.0 Bi Bi9 1 0.16168700 0.85815300 0.66429300 1.0 Bi Bi10 1 0.80614000 0.14184700 0.30353400 1.0 Bi Bi11 1 0.83831300 0.50260600 0.69646600 1.0 Ir Ir12 1 0.00000000 0.00000000 0.00000000 1.0 O O13 1 0.38576300 0.38576300 0.38576300 1.0 O O14 1 0.61423700 0.00000000 0.00000000 1.0 O O15 1 0.00000000 0.61423700 0.00000000 1.0 O O16 1 0.00000000 0.00000000 0.61423700 1.0 O O17 1 0.73922800 0.62089600 0.38140400 1.0 O O18 1 0.26077200 0.64217600 0.88166800 1.0 O O19 1 0.76050800 0.37910400 0.11833200 1.0 O O20 1 0.62089600 0.38140400 0.73922800 1.0 O O21 1 0.23949200 0.35782400 0.61859600 1.0 O O22 1 0.64217600 0.88166800 0.26077200 1.0 O O23 1 0.37910400 0.11833200 0.76050800 1.0 O O24 1 0.35782400 0.61859600 0.23949200 1.0 O O25 1 0.38140400 0.73922800 0.62089600 1.0 O O26 1 0.11833200 0.76050800 0.37910400 1.0 O O27 1 0.61859600 0.23949200 0.35782400 1.0 O O28 1 0.88166800 0.26077200 0.64217600 1.0 O O29 1 0.78157100 0.78157100 0.78157100 1.0 O O30 1 0.21842900 0.00000000 0.00000000 1.0 O O31 1 0.00000000 0.21842900 0.00000000 1.0 O O32 1 0.00000000 0.00000000 0.21842900 1.0