data_[Cd4Re4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  Re  1.9000  1.3500  0.7125
  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 [9.7438]
_cell_length_b [7.5262]
_cell_length_c [9.9620]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0421]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdReBrO4]
_chemical_formula_sum '[Cd4 Re4 Br4 O16]'
_cell_volume [644.7887]
_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
[
  Cd  Cd0  4  0.0389  0.0000  0.2010  1.0
  Re  Re1  4  0.2066  0.5000  0.3414  1.0
  Br  Br2  4  0.2208  0.0000  0.0668  1.0
  O  O3  8  0.0934  0.3109  0.2586  1.0
  O  O4  4  0.1283  0.0000  0.6861  1.0
  O  O5  4  0.2344  0.0000  0.4626  1.0
]