data_TiFe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiFe2Ir
_chemical_formula_sum   'Ti1 Fe2 Ir1'
_cell_volume   53.42
_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
  Fe  Fe0  1  0.0  0.07  0.56  1.0
  Fe  Fe1  1  0.07  0.0  0.56  1.0
  Ir  Ir2  1  0.07  0.07  0.0  1.0

data_TiFe2Ir
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   3.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiFe2Ir
_chemical_formula_sum   'Ti2 Fe4 Ir2'
_cell_volume   106.84
_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
  Fe  Fe1  4  0.03  0.03  0.56  1.0
  Ir  Ir2  2  0.07  0.0  0.0  1.0

Ti Fe Fe Ir
IrTi(Fe)2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two iron molecules and two IrTi clusters. In each IrTi cluster, Ti(1) is bonded in a single-bond geometry to one Ir(1) atom. The Ti(1)-Ir(1) bond length is 0.41 Å. Ir(1) is bonded in a single-bond geometry to one Ti(1) atom.