data_InIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.12
_cell_length_b   9.12
_cell_length_c   9.12
_cell_angle_alpha   18.59
_cell_angle_beta   18.59
_cell_angle_gamma   18.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InIr2Au
_chemical_formula_sum   'In1 Ir2 Au1'
_cell_volume   67.26
_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
  In  In1  1  0.0  0.0  0.0  1.0
  Ir  Ir2  1  0.0  0.0  0.77  1.0
  Ir  Ir3  1  0.0  0.0  0.1  1.0
  Au  Au0  1  0.0  0.0  0.43  1.0

data_InIr2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   2.94
_cell_length_c   9.12
_cell_angle_alpha   90.0
_cell_angle_beta   100.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   InIr2Au
_chemical_formula_sum   'In2 Ir4 Au2'
_cell_volume   134.52
_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
  In  In0  2  0.0  0.0  0.0  1.0
  Ir  Ir1  2  0.0  0.0  0.23  1.0
  Ir  Ir2  2  0.0  0.0  0.9  1.0
  Au  Au3  2  0.0  0.0  0.57  1.0

In Ir Ir Au
Ir2AuIn crystallizes in the monoclinic Cm space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a distorted single-bond geometry to one Au(1) and one In(1) atom. The Ir(1)-Au(1) bond length is 3.04 Å. The Ir(1)-In(1) bond length is 2.12 Å. In the second Ir site, Ir(2) is bonded in a single-bond geometry to one Au(1) and one In(1) atom. The Ir(2)-Au(1) bond length is 3.04 Å. The Ir(2)-In(1) bond length is 0.91 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded to one Ir(1); one Ir(2); and six Au(1,1) atoms to form a mixture of distorted corner and edge-sharing AuIr2Au6 hexagonal bipyramids. All Au(1)-Au(1,1) bond lengths are 2.94 Å. In the second Au site, Au(1) is bonded to one Ir(1); one Ir(2); and six Au(1,1) atoms to form a mixture of distorted corner and edge-sharing AuIr2Au6 hexagonal bipyramids. The Au(1)-Ir(1) bond length is 3.04 Å. The Au(1)-Ir(2) bond length is 3.04 Å. Both Au(1)-Au(1) bond lengths are 2.94 Å. In(1) is bonded in a distorted single-bond geometry to one Ir(1) and one Ir(2) atom.