data_TiInIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.26
_cell_length_b   3.26
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiInIr2
_chemical_formula_sum   'Ti1 In1 Ir2'
_cell_volume   65.09
_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  Ti3  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.06  1.0
  Ir  Ir1  1  0.63  0.63  0.69  1.0
  Ir  Ir2  1  0.63  0.63  0.42  1.0

data_TiInIr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   6.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiInIr2
_chemical_formula_sum   'Ti2 In2 Ir4'
_cell_volume   130.18
_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  0.0  1.0
  In  In1  2  0.0  0.0  0.06  1.0
  Ir  Ir2  2  0.13  0.5  0.42  1.0
  Ir  Ir3  2  0.13  0.5  0.69  1.0

Ti In Ir Ir
Ti In Ir Ir 0 1 o o o 2 3 o o o 
TiIr2In crystallizes in the monoclinic Cm space group. Ti(1) is bonded in a single-bond geometry to three equivalent Ir(1) and one In(1) atom. There is one shorter (2.54 Å) and two longer (3.04 Å) Ti(1)-Ir(1) bond lengths. The Ti(1)-In(1) bond length is 0.35 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 4-coordinate geometry to three equivalent Ti(1) and one Ir(2) atom. The Ir(1)-Ir(2) bond length is 1.65 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one Ir(1) and one In(1) atom. The Ir(2)-In(1) bond length is 2.81 Å. In(1) is bonded in a single-bond geometry to one Ti(1) and one Ir(2) atom.