# generated using pymatgen data_Bi3IrO2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76532200 _cell_length_b 10.12330100 _cell_length_c 13.01459700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi3IrO2 _chemical_formula_sum 'Bi12 Ir4 O8' _cell_volume 496.08374455 _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 Bi Bi0 1 0.75000000 0.19703100 0.39567200 1.0 Bi Bi1 1 0.75000000 0.69703100 0.10432800 1.0 Bi Bi2 1 0.25000000 0.80296900 0.60432800 1.0 Bi Bi3 1 0.25000000 0.30296900 0.89567200 1.0 Bi Bi4 1 0.75000000 0.10913200 0.69564500 1.0 Bi Bi5 1 0.75000000 0.60913200 0.80435500 1.0 Bi Bi6 1 0.25000000 0.89086800 0.30435500 1.0 Bi Bi7 1 0.25000000 0.39086800 0.19564500 1.0 Bi Bi8 1 0.75000000 0.12570400 0.09057800 1.0 Bi Bi9 1 0.75000000 0.62570400 0.40942200 1.0 Bi Bi10 1 0.25000000 0.87429600 0.90942200 1.0 Bi Bi11 1 0.25000000 0.37429600 0.59057800 1.0 Ir Ir12 1 0.75000000 0.40687100 0.03413700 1.0 Ir Ir13 1 0.75000000 0.90687100 0.46586300 1.0 Ir Ir14 1 0.25000000 0.59312900 0.96586300 1.0 Ir Ir15 1 0.25000000 0.09312900 0.53413700 1.0 O O16 1 0.75000000 0.89317300 0.02285400 1.0 O O17 1 0.75000000 0.39317300 0.47714600 1.0 O O18 1 0.25000000 0.10682700 0.97714600 1.0 O O19 1 0.25000000 0.60682700 0.52285400 1.0 O O20 1 0.75000000 0.33084200 0.70862400 1.0 O O21 1 0.75000000 0.83084200 0.79137600 1.0 O O22 1 0.25000000 0.66915800 0.29137600 1.0 O O23 1 0.25000000 0.16915800 0.20862400 1.0