data_[Re2Br4Cl6]
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 [6.3884]
_cell_length_b [6.9049]
_cell_length_c [9.3917]
_cell_angle_alpha [109.0865]
_cell_angle_beta [91.1964]
_cell_angle_gamma [115.1982]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReBr2Cl3]
_chemical_formula_sum '[Re2 Br4 Cl6]'
_cell_volume [347.9844]
_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  0.0979  0.2035  0.2077  1
  Br  Br1  2  0.0741  0.8168  0.5692  1
  Br  Br2  2  0.4382  0.5702  0.3343  1
  Cl  Cl3  2  0.1141  0.6315  0.8569  1
  Cl  Cl4  2  0.2299  0.1744  0.9578  1
  Cl  Cl5  2  0.2943  0.0040  0.2370  1
]