# generated using pymatgen data_BaBiO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.16836263 _cell_length_b 6.16813586 _cell_length_c 6.18935480 _cell_angle_alpha 60.52899098 _cell_angle_beta 60.11212974 _cell_angle_gamma 59.99878425 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaBiO3 _chemical_formula_sum 'Ba2 Bi2 O6' _cell_volume 167.31160052 _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 Ba Ba0 1 0.75085487 0.75488683 0.74340442 1.0 Ba Ba1 1 0.24914513 0.24511317 0.25659558 1.0 Bi Bi2 1 -0.00000000 0.00000000 0.00000000 1.0 Bi Bi3 1 0.50000000 0.50000000 0.50000000 1.0 O O4 1 0.78051072 0.22266670 0.70270415 1.0 O O5 1 0.70588157 0.77733330 0.29729585 1.0 O O6 1 0.21948928 0.77733330 0.29729585 1.0 O O7 1 0.29411843 0.22266670 0.70270415 1.0 O O8 1 0.74087897 0.32756680 0.19067527 1.0 O O9 1 0.25912103 0.67243320 0.80932473 1.0