data_TiRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRh
_chemical_formula_sum   'Ti2 Rh2'
_cell_volume   86.85
_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
  Ti  Ti2  1  0.97  0.14  0.65  1.0
  Ti  Ti3  1  0.0  0.27  0.41  1.0
  Rh  Rh0  1  0.97  0.14  0.23  1.0
  Rh  Rh1  1  0.0  0.27  0.47  1.0

data_TiRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiRh
_chemical_formula_sum   'Ti2 Rh2'
_cell_volume   86.85
_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
  Ti  Ti0  1  -0.0  0.27  0.41  1.0
  Ti  Ti1  1  0.97  0.14  0.65  1.0
  Rh  Rh2  1  -0.0  0.27  0.47  1.0
  Rh  Rh3  1  0.97  0.14  0.23  1.0

Ti Ti Rh Rh
Ti Ti Rh Rh 0 3 + o o 1 3 o o o 1 2 - o o 
TiRh crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one TiRh cluster. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Rh(2) atom. The Ti(1)-Rh(2) bond length is 1.28 Å. In the second Ti site, Ti(2) is bonded in a distorted bent 150 degrees geometry to one Rh(1) and one Rh(2) atom. The Ti(2)-Rh(1) bond length is 1.28 Å. The Ti(2)-Rh(2) bond length is 0.35 Å. There are two inequivalent Rh sites. In the first Rh site, Rh(1) is bonded in a single-bond geometry to one Ti(2) atom. In the second Rh site, Rh(2) is bonded in a distorted bent 150 degrees geometry to one Ti(1) and one Ti(2) atom.