data_[Ba8Bi4Br2O4]
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
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2922]
_cell_length_b [4.4134]
_cell_length_c [10.1739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.7114]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba4Bi2BrO2]
_chemical_formula_sum '[Ba8 Bi4 Br2 O4]'
_cell_volume [713.3689]
_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  4  0.0279  0.5000  0.7742  1
  Ba  Ba1  4  0.2288  0.0000  0.1342  1
  Bi  Bi2  4  0.0937  0.0000  0.5509  1
  Br  Br3  2  0.0000  0.0000  0.0000  1
  O  O4  4  0.1757  0.5000  0.9822  1
]