data_FeSnIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   130.82
_cell_angle_beta   130.82
_cell_angle_gamma   72.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSnIr2
_chemical_formula_sum   'Fe1 Sn1 Ir2'
_cell_volume   59.66
_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
  Sn  Sn3  1  0.0  0.97  0.92  1.0
  Ir  Ir1  1  0.97  0.0  0.92  1.0
  Ir  Ir2  1  0.0  0.0  0.83  1.0

data_FeSnIr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   4.74
_cell_angle_alpha   114.59
_cell_angle_beta   114.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSnIr2
_chemical_formula_sum   'Fe1 Sn1 Ir2'
_cell_volume   59.66
_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
  Sn  Sn1  1  0.94  0.92  0.94  1.0
  Ir  Ir2  1  0.83  0.83  0.83  1.0
  Ir  Ir3  1  0.92  0.94  0.94  1.0

Fe Sn Ir Ir
Fe Sn Ir Ir 0 2 - o - 0 1 o - - 1 2 - + o 1 3 o + o 2 3 + o o 
FeIr2Sn is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one FeIr2Sn cluster. Fe(1) is bonded in a 2-coordinate geometry to one Ir(1) and one Sn(1) atom. The Fe(1)-Ir(1) bond length is 0.33 Å. The Fe(1)-Sn(1) bond length is 0.33 Å. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Fe(1), one Ir(2), and one Sn(1) atom. The Ir(1)-Ir(2) bond length is 0.49 Å. The Ir(1)-Sn(1) bond length is 0.15 Å. In the second Ir site, Ir(2) is bonded in a 2-coordinate geometry to one Ir(1) and one Sn(1) atom. The Ir(2)-Sn(1) bond length is 0.49 Å. Sn(1) is bonded in a single-bond geometry to one Fe(1), one Ir(1), and one Ir(2) atom.