data_CrFeIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.68
_cell_length_b   4.36
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   92.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeIr2
_chemical_formula_sum   'Cr1 Fe1 Ir2'
_cell_volume   55.48
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.24  0.0  0.37  1.0
  Ir  Ir2  1  0.55  0.18  0.54  1.0
  Ir  Ir3  1  0.92  0.18  0.2  1.0

data_CrFeIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.68
_cell_length_b   4.36
_cell_length_c   4.75
_cell_angle_alpha   90.0
_cell_angle_beta   92.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeIr2
_chemical_formula_sum   'Cr1 Fe1 Ir2'
_cell_volume   55.48
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Fe  Fe1  1  0.24  0.0  0.37  1.0
  Ir  Ir2  1  0.55  0.18  0.54  1.0
  Ir  Ir3  1  0.92  0.18  0.2  1.0

Cr Fe Ir Ir
CrFeIr2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one CrFeIr2 cluster. Cr(1) is bonded in a single-bond geometry to one Ir(2) atom. The Cr(1)-Ir(2) bond length is 1.26 Å. Fe(1) is bonded in a distorted water-like geometry to one Ir(1) and one Ir(2) atom. The Fe(1)-Ir(1) bond length is 1.38 Å. The Fe(1)-Ir(2) bond length is 1.38 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Fe(1) atom. In the second Ir site, Ir(2) is bonded in an L-shaped geometry to one Cr(1) and one Fe(1) atom.