data_[Re2Br6Cl4]
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 [Pc]
_cell_length_a [6.5475]
_cell_length_b [18.6985]
_cell_length_c [14.3163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.8195]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [ReBr3Cl2]
_chemical_formula_sum '[Re2 Br6 Cl4]'
_cell_volume [1727.0381]
_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  0.2647  0.4903  0.0015  1
  Br  Br1  2  0.0374  0.4543  0.8512  1
  Br  Br2  2  0.4869  0.4734  0.6511  1
  Br  Br3  2  0.5612  0.4692  0.9308  1
  Cl  Cl4  2  0.1203  0.4015  0.4888  1
  Cl  Cl5  2  0.1358  0.4011  0.0766  1
]