data_[Ba12Bi4Cl12O12]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.0778]
_cell_length_b [12.1126]
_cell_length_c [12.1359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [Ba3Bi(ClO)3]
_chemical_formula_sum '[Ba12 Bi4 Cl12 O12]'
_cell_volume [1040.4054]
_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  0.1719  0.0685  0.6126  1
  Ba  Ba1  4  0.1497  0.2500  0.9723  1
  Bi  Bi2  4  0.0962  0.2500  0.3718  1
  Cl  Cl3  8  0.1071  0.5043  0.8633  1
  Cl  Cl4  4  0.0847  0.7500  0.2665  1
  O  O5  8  0.0715  0.6272  0.5543  1
  O  O6  4  0.2135  0.7500  0.0024  1
]