data_[Ba24Bi12O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [13.6856]
_cell_length_b [17.0287]
_cell_length_c [8.1556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba6Bi3O]
_chemical_formula_sum '[Ba24 Bi12 O4]'
_cell_volume [1900.6516]
_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  8  0.1468  0.2589  0.8356  1.0
  Ba  Ba1  8  0.1578  0.4832  0.2952  1.0
  Ba  Ba2  4  0.0000  0.0514  0.8596  1.0
  Ba  Ba3  4  0.0000  0.2140  0.2925  1.0
  Bi  Bi4  8  0.1768  0.1058  0.5261  1.0
  Bi  Bi5  4  0.0000  0.3801  0.5737  1.0
  O  O6  4  0.0000  0.1914  0.9752  1.0
]