data_[Re4Br8O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [14.4243]
_cell_length_b [3.7798]
_cell_length_c [6.7771]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8835]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReBr2O]
_chemical_formula_sum '[Re4 Br8 O4]'
_cell_volume [357.0997]
_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
[
  Re  Re0  4  0.0000  0.0000  0.2155  1
  Br  Br1  4  0.1239  0.0000  0.5675  1
  Br  Br2  4  0.1510  0.0000  0.0832  1
  O  O3  4  0.0001  0.5000  0.7818  1
]