data_Ni2IrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni2IrAu
_chemical_formula_sum   'Ni2 Ir1 Au1'
_cell_volume   54.16
_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
  Ni  Ni2  1  0.0  0.94  0.8  1.0
  Ni  Ni3  1  0.94  0.0  0.8  1.0
  Ir  Ir1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.94  0.94  0.0  1.0

data_Ni2IrAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.48
_cell_length_b   5.48
_cell_length_c   3.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ni2IrAu
_chemical_formula_sum   'Ni4 Ir2 Au2'
_cell_volume   108.31
_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
  Ni  Ni0  4  0.47  0.47  0.8  1.0
  Ir  Ir1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.44  0.5  -0.0  1.0

Ni Ni Ir Au
Ni Ni Ir Au 0 1 - + o 2 3 - - o 
IrNi2Au is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two IrNi2Au clusters. Ir(1) is bonded in a single-bond geometry to two equivalent Ni(1) and one Au(1) atom. Both Ir(1)-Ni(1) bond lengths are 0.75 Å. The Ir(1)-Au(1) bond length is 0.34 Å. Ni(1) is bonded in a 3-coordinate geometry to one Ir(1), one Ni(1), and one Au(1) atom. The Ni(1)-Ni(1) bond length is 0.34 Å. The Ni(1)-Au(1) bond length is 0.75 Å. Au(1) is bonded in a distorted single-bond geometry to one Ir(1) and two equivalent Ni(1) atoms.