data_ReBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.59
_cell_length_b   12.59
_cell_length_c   12.59
_cell_angle_alpha   160.09
_cell_angle_beta   160.09
_cell_angle_gamma   28.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReBr3
_chemical_formula_sum   'Re2 Br6'
_cell_volume   231.48
_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  Re6  1  0.0  0.0  0.48  1.0
  Re  Re7  1  0.0  0.0  0.94  1.0
  Br  Br0  1  0.0  0.18  0.0  1.0
  Br  Br1  1  0.18  0.0  0.0  1.0
  Br  Br2  1  0.18  0.0  0.11  1.0
  Br  Br3  1  0.0  0.18  0.11  1.0
  Br  Br4  1  0.0  0.0  0.13  1.0
  Br  Br5  1  0.0  0.0  0.29  1.0

data_ReBr3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.16
_cell_length_b   6.16
_cell_length_c   12.59
_cell_angle_alpha   90.0
_cell_angle_beta   104.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReBr3
_chemical_formula_sum   'Re4 Br12'
_cell_volume   462.96
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  0.44  0.5  0.94  1.0
  Re  Re1  2  0.48  0.0  0.48  1.0
  Br  Br2  4  0.02  0.09  0.93  1.0
  Br  Br3  4  0.41  0.41  0.82  1.0
  Br  Br4  2  0.13  0.0  0.13  1.0
  Br  Br5  2  0.29  0.0  0.29  1.0

Re Re Br Br Br Br Br Br
Re Re Br Br Br Br Br Br 0 7 o o o 1 5 o o + 1 4 o o + 1 6 o o + 2 3 o o o 6 7 o o o 
ReBr3 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ReBr3 clusters. There are two inequivalent Re sites. In the first Re site, Re(1) is bonded in a single-bond geometry to one Br(4) atom. The Re(1)-Br(4) bond length is 2.42 Å. In the second Re site, Re(2) is bonded in an L-shaped geometry to one Br(3), two equivalent Br(1), and two equivalent Br(2) atoms. The Re(2)-Br(3) bond length is 2.42 Å. Both Re(2)-Br(1) bond lengths are 1.56 Å. Both Re(2)-Br(2) bond lengths are 0.76 Å. There are four inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted T-shaped geometry to one Re(2), one Br(1), and one Br(2) atom. The Br(1)-Br(1) bond length is 1.09 Å. The Br(1)-Br(2) bond length is 1.33 Å. In the second Br site, Br(2) is bonded in a single-bond geometry to one Re(2) and one Br(1) atom. In the third Br site, Br(3) is bonded in a distorted linear geometry to one Re(2) and one Br(4) atom. The Br(3)-Br(4) bond length is 1.97 Å. In the fourth Br site, Br(4) is bonded in a distorted linear geometry to one Re(1) and one Br(3) atom.