data_[Re2Br8Cl2]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.5994]
_cell_length_b [7.1429]
_cell_length_c [9.5265]
_cell_angle_alpha [110.0220]
_cell_angle_beta [90.1903]
_cell_angle_gamma [116.8563]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReBr4Cl]
_chemical_formula_sum '[Re2 Br8 Cl2]'
_cell_volume [369.6765]
_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
[
  Re  Re0  2  0.0986  0.2043  0.2083  1
  Br  Br1  2  0.0726  0.8171  0.5702  1
  Br  Br2  2  0.1197  0.6278  0.8562  1
  Br  Br3  2  0.3004  0.0015  0.2382  1
  Br  Br4  2  0.4376  0.5703  0.3341  1
  Cl  Cl5  2  0.2272  0.1734  0.9585  1
]