# generated using pymatgen data_BaBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.17435169 _cell_length_b 6.21717942 _cell_length_c 8.71828688 _cell_angle_alpha 90.25395528 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBiO3 _chemical_formula_sum 'Ba4 Bi4 O12' _cell_volume 334.66604672 _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 Ba Ba0 1 0.01258091 0.49460584 0.75068166 1.0 Ba Ba1 1 0.98741909 0.50539416 0.24931834 1.0 Ba Ba2 1 0.48741909 0.99460584 0.25068166 1.0 Ba Ba3 1 0.51258091 0.00539416 0.74931834 1.0 Bi Bi4 1 0.50000000 0.50000000 0.00000000 1.0 Bi Bi5 1 0.00000000 -0.00000000 0.00000000 1.0 Bi Bi6 1 0.00000000 -0.00000000 0.50000000 1.0 Bi Bi7 1 0.50000000 0.50000000 0.50000000 1.0 O O8 1 0.27157534 0.24546535 0.96437354 1.0 O O9 1 0.99202065 0.93368117 0.74088841 1.0 O O10 1 0.25756482 0.22536870 0.53648687 1.0 O O11 1 0.74243518 0.77463130 0.46351313 1.0 O O12 1 0.24243518 0.72536870 0.03648687 1.0 O O13 1 0.75756482 0.27463130 0.96351313 1.0 O O14 1 0.22842466 0.74546535 0.46437354 1.0 O O15 1 0.77157534 0.25453465 0.53562646 1.0 O O16 1 0.00797935 0.06631883 0.25911159 1.0 O O17 1 0.49202065 0.56631883 0.75911159 1.0 O O18 1 0.50797935 0.43368117 0.24088841 1.0 O O19 1 0.72842466 0.75453465 0.03562646 1.0