data_ReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   111.29
_cell_angle_beta   111.29
_cell_angle_gamma   105.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBr
_chemical_formula_sum   'Re2 Br2'
_cell_volume   69.88
_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  Re2  1  0.54  0.0  0.36  1.0
  Re  Re3  1  0.0  0.0  0.71  1.0
  Br  Br0  1  0.0  0.54  0.36  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_ReBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   4.5
_cell_length_c   4.5
_cell_angle_alpha   105.89
_cell_angle_beta   111.29
_cell_angle_gamma   111.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBr
_chemical_formula_sum   'Re2 Br2'
_cell_volume   69.88
_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  1  0.36  0.54  0.0  1.0
  Re  Re1  1  0.71  0.0  0.0  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.36  -0.0  0.54  1.0

Re Re Br Br
ReBr crystallizes in the triclinic P1 space group. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a 5-coordinate geometry to one Re(2), two equivalent Br(1), and two equivalent Br(2) atoms. The Re(1)-Re(2) bond length is 2.11 Å. Both Re(1)-Br(1) bond lengths are 2.72 Å. There is one shorter (2.37 Å) and one longer (3.04 Å) Re(1)-Br(2) bond length. In the second Re site, Re(2) is bonded in a 2-coordinate geometry to one Re(1), one Br(1), and one Br(2) atom. The Re(2)-Br(1) bond length is 2.11 Å. The Re(2)-Br(2) bond length is 1.30 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 1-coordinate geometry to one Re(2) and two equivalent Re(1) atoms. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Re(2) and two equivalent Re(1) atoms.