data_TiInIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.17
_cell_length_b   6.17
_cell_length_c   6.17
_cell_angle_alpha   151.7
_cell_angle_beta   151.7
_cell_angle_gamma   40.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInIr
_chemical_formula_sum   'Ti1 In1 Ir1'
_cell_volume   52.66
_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
  Ti  Ti2  1  0.0  0.0  0.96  1.0
  In  In0  1  0.0  0.0  0.52  1.0
  Ir  Ir1  1  0.0  0.0  0.68  1.0

data_TiInIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   6.17
_cell_angle_alpha   90.0
_cell_angle_beta   110.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiInIr
_chemical_formula_sum   'Ti2 In2 Ir2'
_cell_volume   105.32
_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
  Ti  Ti0  2  0.46  0.5  0.96  1.0
  In  In1  2  0.02  0.5  0.52  1.0
  Ir  Ir2  2  0.18  0.5  0.68  1.0

Ti In Ir
TiIrIn crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two TiIrIn clusters. Ti(1) is bonded in a single-bond geometry to one Ir(1) atom. The Ti(1)-Ir(1) bond length is 1.76 Å. Ir(1) is bonded in a linear geometry to one Ti(1) and one In(1) atom. The Ir(1)-In(1) bond length is 0.97 Å. In(1) is bonded in a single-bond geometry to one Ir(1) atom.