data_FeSb2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   148.62
_cell_angle_beta   146.16
_cell_angle_gamma   46.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Ir
_chemical_formula_sum   'Fe1 Sb2 Ir1'
_cell_volume   77.4
_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  0.52  1.0
  Sb  Sb2  1  0.0  0.0  0.34  1.0
  Sb  Sb3  1  0.74  0.0  0.47  1.0
  Ir  Ir1  1  0.0  0.88  0.33  1.0

data_FeSb2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   3.75
_cell_length_c   6.45
_cell_angle_alpha   106.92
_cell_angle_beta   105.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSb2Ir
_chemical_formula_sum   'Fe1 Sb2 Ir1'
_cell_volume   77.4
_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  0.52  0.52  1.0
  Sb  Sb1  1  0.0  0.34  0.34  1.0
  Sb  Sb2  1  0.0  0.47  0.73  1.0
  Ir  Ir3  1  0.12  0.45  0.45  1.0

Fe Sb Sb Ir
FeIrSb2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeIrSb2 cluster. Fe(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Sb(2) atom. The Fe(1)-Ir(1) bond length is 0.72 Å. The Fe(1)-Sb(2) bond length is 1.39 Å. Ir(1) is bonded in a distorted water-like geometry to one Fe(1) and one Sb(1) atom. The Ir(1)-Sb(1) bond length is 0.73 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a single-bond geometry to one Ir(1) atom. In the second Sb site, Sb(2) is bonded in a single-bond geometry to one Fe(1) atom.