data_TiReBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.15
_cell_length_b   6.15
_cell_length_c   6.15
_cell_angle_alpha   151.01
_cell_angle_beta   151.01
_cell_angle_gamma   41.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiReBr
_chemical_formula_sum   'Ti1 Re1 Br1'
_cell_volume   54.58
_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
  Ti  Ti2  1  0.0  0.0  0.86  1.0
  Re  Re1  1  0.0  0.0  0.59  1.0
  Br  Br0  1  0.0  0.0  0.06  1.0

data_TiReBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.36
_cell_length_b   4.36
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   110.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiReBr
_chemical_formula_sum   'Ti2 Re2 Br2'
_cell_volume   109.16
_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
  Ti  Ti0  2  0.36  0.5  0.86  1.0
  Re  Re1  2  0.09  0.5  0.59  1.0
  Br  Br2  2  0.06  0.0  0.06  1.0

Ti Re Br
TiReBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiReBr clusters. Ti(1) is bonded in a distorted linear geometry to one Re(1) and one Br(1) atom. The Ti(1)-Re(1) bond length is 1.66 Å. The Ti(1)-Br(1) bond length is 1.25 Å. Re(1) is bonded in a distorted single-bond geometry to one Ti(1) atom. Br(1) is bonded in a single-bond geometry to one Ti(1) atom.