data_FeIrAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   3.17
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeIrAu2
_chemical_formula_sum   'Fe1 Ir1 Au2'
_cell_volume   63.26
_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  Fe2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.0  0.16  1.0
  Au  Au0  1  0.58  0.58  0.82  1.0
  Au  Au1  1  0.58  0.58  0.49  1.0

data_FeIrAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.48
_cell_length_b   4.48
_cell_length_c   6.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   FeIrAu2
_chemical_formula_sum   'Fe2 Ir2 Au4'
_cell_volume   126.52
_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  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.16  1.0
  Au  Au2  2  0.08  0.5  0.49  1.0
  Au  Au3  2  0.08  0.5  0.82  1.0

Fe Ir Au Au
Fe Ir Au Au 0 1 o o o 0 2 o - - 0 2 - o - 0 2 - - - 2 3 o o o 
FeIrAu2 crystallizes in the monoclinic Cm space group. Fe(1) is bonded in a distorted single-bond geometry to one Ir(1) and four equivalent Au(1) atoms. The Fe(1)-Ir(1) bond length is 0.99 Å. There are a spread of Fe(1)-Au(1) bond distances ranging from 2.17-2.84 Å. Ir(1) is bonded in a single-bond geometry to one Fe(1) and four equivalent Au(2) atoms. There are a spread of Ir(1)-Au(2) bond distances ranging from 2.82-3.35 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 5-coordinate geometry to four equivalent Fe(1) and one Au(2) atom. The Au(1)-Au(2) bond length is 2.10 Å. In the second Au site, Au(2) is bonded in a 9-coordinate geometry to four equivalent Ir(1), one Au(1), and four equivalent Au(2) atoms. All Au(2)-Au(2) bond lengths are 3.17 Å.