data_TiRhBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.51
_cell_length_c   3.1
_cell_angle_alpha   77.67
_cell_angle_beta   74.96
_cell_angle_gamma   27.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRhBr
_chemical_formula_sum   'Ti1 Rh1 Br1'
_cell_volume   58.9
_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  0.08  0.3  0.37  1.0
  Rh  Rh1  1  0.08  0.3  0.6  1.0
  Br  Br0  1  0.08  0.3  0.36  1.0

data_TiRhBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.15
_cell_length_b   12.34
_cell_length_c   3.1
_cell_angle_alpha   90.0
_cell_angle_beta   132.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiRhBr
_chemical_formula_sum   'Ti2 Rh2 Br2'
_cell_volume   117.8
_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  0.25  0.0  0.55  1.0
  Rh  Rh1  2  0.02  0.0  0.32  1.0
  Br  Br2  2  0.27  0.0  0.57  1.0

Ti Rh Br
Ti Rh Br 0 2 o o o 0 1 o o o 1 2 o o o 
TiRhBr crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiRhBr clusters. Ti(1) is bonded in a linear geometry to one Rh(1) and one Br(1) atom. The Ti(1)-Rh(1) bond length is 0.71 Å. The Ti(1)-Br(1) bond length is 0.05 Å. Rh(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.