# generated using pymatgen data_Bi12BO20 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.78572553 _cell_length_b 8.78572553 _cell_length_c 8.78572553 _cell_angle_alpha 109.47122063 _cell_angle_beta 109.47122063 _cell_angle_gamma 109.47122063 _symmetry_Int_Tables_number 1 _chemical_formula_structural Bi12BO20 _chemical_formula_sum 'Bi12 B1 O20' _cell_volume 522.04868250 _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 0.83925600 0.32855000 0.14102200 1.0 Bi Bi1 1 0.48929400 0.16074400 0.30176600 1.0 Bi Bi2 1 0.85897800 0.18752800 0.69823400 1.0 Bi Bi3 1 0.69823400 0.85897800 0.18752800 1.0 Bi Bi4 1 0.30176600 0.48929400 0.16074400 1.0 Bi Bi5 1 0.81247200 0.67145000 0.51070600 1.0 Bi Bi6 1 0.16074400 0.30176600 0.48929400 1.0 Bi Bi7 1 0.67145000 0.51070600 0.81247200 1.0 Bi Bi8 1 0.32855000 0.14102200 0.83925600 1.0 Bi Bi9 1 0.51070600 0.81247200 0.67145000 1.0 Bi Bi10 1 0.14102200 0.83925600 0.32855000 1.0 Bi Bi11 1 0.18752800 0.69823400 0.85897800 1.0 B B12 1 0.00000000 0.00000000 0.00000000 1.0 O O13 1 0.39958100 0.00000000 0.00000000 1.0 O O14 1 0.74048500 0.12294000 0.35489100 1.0 O O15 1 0.87706000 0.61754500 0.23195100 1.0 O O16 1 0.61440600 0.38245500 0.25951500 1.0 O O17 1 0.17230400 0.17230400 0.17230400 1.0 O O18 1 0.82769600 0.00000000 0.00000000 1.0 O O19 1 0.76804900 0.38559400 0.64510900 1.0 O O20 1 0.00000000 0.39958100 0.00000000 1.0 O O21 1 0.38245500 0.25951500 0.61440600 1.0 O O22 1 0.61754500 0.23195100 0.87706000 1.0 O O23 1 0.35489100 0.74048500 0.12294000 1.0 O O24 1 0.64510900 0.76804900 0.38559400 1.0 O O25 1 0.60041900 0.60041900 0.60041900 1.0 O O26 1 0.25951500 0.61440600 0.38245500 1.0 O O27 1 0.00000000 0.00000000 0.82769600 1.0 O O28 1 0.00000000 0.82769600 0.00000000 1.0 O O29 1 0.12294000 0.35489100 0.74048500 1.0 O O30 1 0.38559400 0.64510900 0.76804900 1.0 O O31 1 0.23195100 0.87706000 0.61754500 1.0 O O32 1 0.00000000 0.00000000 0.39958100 1.0