data_Fe2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.67
_cell_length_b   7.17
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Ir
_chemical_formula_sum   'Fe4 Ir2'
_cell_volume   81.48
_cell_formula_units_Z   2
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  0.5  0.44  0.0  1.0
  Fe  Fe1  1  0.17  0.73  0.0  1.0
  Fe  Fe2  1  0.84  0.15  0.13  1.0
  Fe  Fe3  1  0.84  0.02  0.13  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0
  Ir  Ir5  1  0.34  0.58  0.13  1.0

data_Fe2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.67
_cell_length_b   4.25
_cell_length_c   7.17
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2Ir
_chemical_formula_sum   'Fe4 Ir2'
_cell_volume   81.48
_cell_formula_units_Z   2
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  0.16  0.87  0.98  1.0
  Fe  Fe1  1  0.16  0.87  0.85  1.0
  Fe  Fe2  1  0.5  0.0  0.56  1.0
  Fe  Fe3  1  0.83  0.0  0.27  1.0
  Ir  Ir4  1  0.0  0.0  0.0  1.0
  Ir  Ir5  1  0.66  0.87  0.42  1.0

Fe Fe Fe Fe Ir Ir
Fe2Ir crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of two Fe2Ir clusters. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a single-bond geometry to one Ir(2) atom. The Fe(1)-Ir(2) bond length is 1.25 Å. In the second Fe site, Fe(2) is bonded in a 1-coordinate geometry to one Ir(2) atom. The Fe(2)-Ir(2) bond length is 1.25 Å. Ir(2) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one Fe(2) atom.