data_[Cr4Bi4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  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 [10.5032]
_cell_length_b [7.3353]
_cell_length_c [6.9222]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CrBiBrO4]
_chemical_formula_sum '[Cr4 Bi4 Br4 O16]'
_cell_volume [514.8469]
_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
[
  Cr  Cr0  4  0.1402  0.5000  0.2695  1
  Bi  Bi1  4  0.2206  0.0000  0.1337  1
  Br  Br2  4  0.0180  0.0000  0.7538  1
  O  O3  8  0.1873  0.3185  0.1519  1
  O  O4  4  0.0191  0.5000  0.7602  1
  O  O5  4  0.2169  0.5000  0.5115  1
]