data_In2FeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   In2FeIr
_chemical_formula_sum   'In2 Fe1 Ir1'
_cell_volume   67.44
_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
  In  In1  1  0.55  0.55  0.75  1.0
  In  In2  1  0.55  0.55  0.3  1.0
  Fe  Fe0  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.53  1.0

data_In2FeIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.37
_cell_length_b   4.37
_cell_length_c   7.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   In2FeIr
_chemical_formula_sum   'In4 Fe2 Ir2'
_cell_volume   134.88
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  In  In0  2  0.05  0.5  0.3  1.0
  In  In1  2  0.05  0.5  0.75  1.0
  Fe  Fe2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.53  1.0

In In Fe Ir
In In Fe Ir 0 3 o o o 0 3 o + o 0 3 + o o 0 3 + + o 0 2 o o + 0 2 o + + 0 2 + o + 0 2 + + + 0 0 + o o 0 0 o + o 0 1 o o o 1 2 o o o 1 2 o + o 1 2 + o o 1 2 + + o 1 3 o o o 1 3 o + o 1 3 + o o 1 3 + + o 1 1 + o o 1 1 o + o 2 2 + o o 2 2 o + o 2 3 o o - 3 3 + o o 3 3 o + o 
FeIrIn2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a 13-coordinate geometry to four equivalent Fe(1), one Ir(1), four equivalent In(1), and four equivalent In(2) atoms. All Fe(1)-Fe(1) bond lengths are 3.09 Å. The Fe(1)-Ir(1) bond length is 3.34 Å. There are a spread of Fe(1)-In(1) bond distances ranging from 2.64-2.95 Å. There are a spread of Fe(1)-In(2) bond distances ranging from 2.90-3.19 Å. Ir(1) is bonded in a distorted body-centered cubic geometry to one Fe(1), four equivalent In(1), and four equivalent In(2) atoms. There are a spread of Ir(1)-In(1) bond distances ranging from 2.55-2.88 Å. There are a spread of Ir(1)-In(2) bond distances ranging from 2.55-2.88 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 8-coordinate geometry to four equivalent Fe(1) and four equivalent Ir(1) atoms. In the second In site, In(2) is bonded in a 4-coordinate geometry to four equivalent Fe(1) and four equivalent Ir(1) atoms.