data_Fe2SnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.79
_cell_length_b   2.79
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2SnIr
_chemical_formula_sum   'Fe2 Sn1 Ir1'
_cell_volume   55.43
_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  0.39  0.89  1.0
  Fe  Fe1  1  0.39  0.39  0.23  1.0
  Sn  Sn3  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.56  1.0

data_Fe2SnIr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   7.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Fe2SnIr
_chemical_formula_sum   'Fe4 Sn2 Ir2'
_cell_volume   110.86
_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
  Fe  Fe0  2  0.39  0.0  0.23  1.0
  Fe  Fe1  2  0.39  0.0  0.89  1.0
  Sn  Sn2  2  0.0  0.0  0.0  1.0
  Ir  Ir3  2  0.0  0.0  0.56  1.0

Fe Fe Sn Ir
Fe2IrSn crystallizes in the monoclinic Cm space group. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 1-coordinate geometry to one Fe(2), four equivalent Ir(1), and one Sn(1) atom. The Fe(1)-Fe(2) bond length is 2.47 Å. There are a spread of Fe(1)-Ir(1) bond distances ranging from 2.80-3.33 Å. The Fe(1)-Sn(1) bond length is 1.75 Å. In the second Fe site, Fe(2) is bonded in a 13-coordinate geometry to one Fe(1), four equivalent Fe(2), four equivalent Ir(1), and four equivalent Sn(1) atoms. All Fe(2)-Fe(2) bond lengths are 2.79 Å. There are a spread of Fe(2)-Ir(1) bond distances ranging from 2.80-3.33 Å. There are a spread of Fe(2)-Sn(1) bond distances ranging from 2.28-2.91 Å. Ir(1) is bonded in a 13-coordinate geometry to four equivalent Fe(1), four equivalent Fe(2), four equivalent Ir(1), and one Sn(1) atom. All Ir(1)-Ir(1) bond lengths are 2.79 Å. The Ir(1)-Sn(1) bond length is 3.13 Å. Sn(1) is bonded in a 1-coordinate geometry to one Fe(1), four equivalent Fe(2), and one Ir(1) atom.