data_FeSbIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.91
_cell_angle_alpha   101.57
_cell_angle_beta   101.57
_cell_angle_gamma   36.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbIr2
_chemical_formula_sum   'Fe1 Sb1 Ir2'
_cell_volume   61.33
_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  0.39  0.0  0.77  1.0
  Sb  Sb3  1  0.93  0.0  0.44  1.0
  Ir  Ir1  1  0.75  0.0  0.69  1.0
  Ir  Ir2  1  0.38  0.0  0.11  1.0

data_FeSbIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.64
_cell_length_c   4.91
_cell_angle_alpha   101.57
_cell_angle_beta   90.0
_cell_angle_gamma   108.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSbIr2
_chemical_formula_sum   'Fe1 Sb1 Ir2'
_cell_volume   61.33
_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  0.61  0.23  1.0
  Sb  Sb1  1  0.0  0.07  0.56  1.0
  Ir  Ir2  1  0.0  0.25  0.31  1.0
  Ir  Ir3  1  0.0  0.62  0.89  1.0

Fe Sb Ir Ir
Fe Sb Ir Ir 0 3 o o + 0 2 o o o 1 2 o o o 
FeIr2Sb crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeIr2Sb cluster. Fe(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Ir(2) atom. The Fe(1)-Ir(1) bond length is 1.80 Å. The Fe(1)-Ir(2) bond length is 1.69 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a bent 150 degrees geometry to one Fe(1) and one Sb(1) atom. The Ir(1)-Sb(1) bond length is 1.60 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Fe(1) atom. Sb(1) is bonded in a distorted single-bond geometry to one Ir(1) atom.