data_BaBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   90.01
_cell_angle_beta   90.01
_cell_angle_gamma   89.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBiO3
_chemical_formula_sum   'Ba1 Bi1 O3'
_cell_volume   86.86
_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
  Ba  Ba0  1  0.02  0.0  0.04  1.0
  Bi  Bi1  1  0.13  0.0  0.27  1.0
  O  O2  1  0.57  0.44  0.29  1.0
  O  O3  1  0.07  0.0  0.06  1.0
  O  O4  1  0.57  0.56  0.29  1.0

data_BaBiO3
_symmetry_space_group_name_H-M   Pm
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.01
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   BaBiO3
_chemical_formula_sum   'Ba1 Bi1 O3'
_cell_volume   86.86
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.04  0.0  0.02  1.0
  Bi  Bi1  1  0.27  0.0  0.13  1.0
  O  O2  2  0.29  0.44  0.57  1.0
  O  O3  1  0.06  0.0  0.07  1.0

Ba Bi O O O
Ba Bi O O O 0 3 o o o 0 1 o o o 1 3 o o o 2 4 o o o 