data_ReBrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   4.97
_cell_angle_alpha   111.19
_cell_angle_beta   111.19
_cell_angle_gamma   26.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBrCl2
_chemical_formula_sum   'Re1 Br1 Cl2'
_cell_volume   91.7
_cell_formula_units_Z   1
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  Re3  1  0.58  0.0  0.31  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0
  Cl  Cl1  1  0.33  0.0  0.6  1.0
  Cl  Cl2  1  0.83  0.0  0.01  1.0

data_ReBrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.97
_cell_length_c   6.68
_cell_angle_alpha   111.19
_cell_angle_beta   103.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBrCl2
_chemical_formula_sum   'Re1 Br1 Cl2'
_cell_volume   91.7
_cell_formula_units_Z   1
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  1  0.0  0.31  0.58  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0
  Cl  Cl2  1  0.0  0.01  0.83  1.0
  Cl  Cl3  1  0.0  0.6  0.33  1.0

Re Br Cl Cl
Re Br Cl Cl 0 2 o o o 0 2 o o - 0 0 + - o 0 3 o o o 1 3 - o o 1 2 o o o 1 2 o o - 2 2 + - o 2 3 o o + 
ReBrCl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ReBrCl2 cluster. Re(1) is bonded in a linear geometry to one Cl(1) and one Cl(2) atom. The Re(1)-Cl(1) bond length is 2.59 Å. The Re(1)-Cl(2) bond length is 2.59 Å. Br(1) is bonded in a single-bond geometry to one Cl(2) atom. The Br(1)-Cl(2) bond length is 1.17 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Re(1) atom. In the second Cl site, Cl(2) is bonded in a distorted bent 150 degrees geometry to one Re(1) and one Br(1) atom.