data_ReSb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   126.65
_cell_angle_beta   126.65
_cell_angle_gamma   78.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReSb2Br
_chemical_formula_sum   'Re1 Sb2 Br1'
_cell_volume   84.66
_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  Re1  1  0.0  0.0  0.97  1.0
  Sb  Sb2  1  0.0  0.31  0.99  1.0
  Sb  Sb3  1  0.31  0.0  0.99  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_ReSb2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   129.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReSb2Br
_chemical_formula_sum   'Re2 Sb4 Br2'
_cell_volume   169.32
_cell_formula_units_Z   2
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  0.03  0.0  0.03  1.0
  Sb  Sb1  4  0.17  0.15  0.32  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Re Sb Sb Br
Re Sb Sb Br 0 3 o o + 0 1 o o o 0 2 o o o 1 3 o o + 2 3 o o + 
ReSb2Br is Copper structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ReSb2Br clusters. Re(1) is bonded in a single-bond geometry to two equivalent Sb(1) and one Br(1) atom. Both Re(1)-Sb(1) bond lengths are 1.54 Å. The Re(1)-Br(1) bond length is 0.14 Å. Sb(1) is bonded in a single-bond geometry to one Re(1) atom. Br(1) is bonded in a single-bond geometry to one Re(1) atom.