data_Ti2CuRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.61
_cell_length_b   8.61
_cell_length_c   8.61
_cell_angle_alpha   19.25
_cell_angle_beta   19.25
_cell_angle_gamma   19.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ti2CuRh
_chemical_formula_sum   'Ti2 Cu1 Rh1'
_cell_volume   60.68
_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  0.02  1.0
  Ti  Ti3  1  0.0  0.0  0.33  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0
  Rh  Rh1  1  0.0  0.0  0.67  1.0

data_Ti2CuRh
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   8.61
_cell_angle_alpha   90.0
_cell_angle_beta   101.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ti2CuRh
_chemical_formula_sum   'Ti4 Cu2 Rh2'
_cell_volume   121.37
_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  0.0  0.0  0.67  1.0
  Ti  Ti1  2  0.0  0.0  0.98  1.0
  Cu  Cu2  2  0.0  0.0  0.0  1.0
  Rh  Rh3  2  0.0  0.0  0.33  1.0

Ti Ti Cu Rh
Ti2RhCu crystallizes in the monoclinic Cm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a single-bond geometry to one Ti(2) and one Cu(1) atom. The Ti(1)-Ti(2) bond length is 2.70 Å. The Ti(1)-Cu(1) bond length is 0.14 Å. In the second Ti site, Ti(2) is bonded in a 8-coordinate geometry to one Ti(1), six equivalent Ti(2), and one Rh(1) atom. All Ti(2)-Ti(2) bond lengths are 2.88 Å. The Ti(2)-Rh(1) bond length is 2.96 Å. Rh(1) is bonded in a distorted linear geometry to one Ti(2) and one Cu(1) atom. The Rh(1)-Cu(1) bond length is 2.82 Å. Cu(1) is bonded in a single-bond geometry to one Ti(1) and one Rh(1) atom.