# generated using pymatgen data_CaBi2Br2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.05872400 _cell_length_b 4.05872400 _cell_length_c 21.20787600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaBi2Br2O3 _chemical_formula_sum 'Ca2 Bi4 Br4 O6' _cell_volume 349.36244202 _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 Ca Ca0 1 0.00000000 0.50000000 0.26403800 1.0 Ca Ca1 1 0.50000000 0.00000000 0.73596200 1.0 Bi Bi2 1 0.00000000 0.50000000 0.05637900 1.0 Bi Bi3 1 0.50000000 0.00000000 0.94362100 1.0 Bi Bi4 1 0.00000000 0.50000000 0.63887900 1.0 Bi Bi5 1 0.50000000 0.00000000 0.36112100 1.0 Br Br6 1 0.00000000 0.50000000 0.43968400 1.0 Br Br7 1 0.50000000 0.00000000 0.56031600 1.0 Br Br8 1 0.00000000 0.50000000 0.86318800 1.0 Br Br9 1 0.50000000 0.00000000 0.13681200 1.0 O O10 1 0.50000000 0.50000000 0.30574000 1.0 O O11 1 0.00000000 0.00000000 0.69426000 1.0 O O12 1 0.50000000 0.50000000 0.69426000 1.0 O O13 1 0.00000000 0.00000000 0.30574000 1.0 O O14 1 0.50000000 0.50000000 0.00000000 1.0 O O15 1 0.00000000 0.00000000 0.00000000 1.0