data_FeCo2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.56
_cell_length_b   4.23
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ir
_chemical_formula_sum   'Fe1 Co2 Ir1'
_cell_volume   48.24
_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
  Fe  Fe2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.28  0.12  0.39  1.0
  Co  Co1  1  0.98  0.12  0.07  1.0
  Ir  Ir3  1  0.13  0.0  0.23  1.0

data_FeCo2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.56
_cell_length_b   4.23
_cell_length_c   4.47
_cell_angle_alpha   90.0
_cell_angle_beta   93.82
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCo2Ir
_chemical_formula_sum   'Fe1 Co2 Ir1'
_cell_volume   48.24
_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
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.28  0.12  0.39  1.0
  Co  Co2  1  0.98  0.12  0.07  1.0
  Ir  Ir3  1  0.13  0.0  0.23  1.0

Fe Co Co Ir
FeIrCo2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeIrCo2 cluster. Fe(1) is bonded in a distorted single-bond geometry to one Co(2) atom. The Fe(1)-Co(2) bond length is 0.58 Å. Ir(1) is bonded in a 2-coordinate geometry to one Co(1) and one Co(2) atom. The Ir(1)-Co(1) bond length is 0.94 Å. The Ir(1)-Co(2) bond length is 0.94 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Co site, Co(2) is bonded in an L-shaped geometry to one Fe(1) and one Ir(1) atom.