data_IrWAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.82
_cell_length_b   4.78
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrWAu2
_chemical_formula_sum   'Ir1 W1 Au2'
_cell_volume   67.02
_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
  Ir  Ir2  1  0.41  0.39  0.0  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.39  0.48  1.0
  Au  Au1  1  0.41  0.0  0.48  1.0

data_IrWAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.78
_cell_length_c   4.97
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   IrWAu2
_chemical_formula_sum   'Ir1 W1 Au2'
_cell_volume   67.02
_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
  Ir  Ir0  1  0.41  0.39  0.0  1.0
  W  W1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.0  0.39  0.48  1.0
  Au  Au3  1  0.41  0.0  0.48  1.0

Ir W Au Au
WIrAu2 crystallizes in the triclinic P1 space group. W(1) is bonded in a 1-coordinate geometry to one Ir(1) and four equivalent Au(2) atoms. The W(1)-Ir(1) bond length is 2.20 Å. There are a spread of W(1)-Au(2) bond distances ranging from 2.66-3.06 Å. Ir(1) is bonded in a 1-coordinate geometry to one W(1), two equivalent Au(2), and four equivalent Au(1) atoms. There is one shorter (3.05 Å) and one longer (3.18 Å) Ir(1)-Au(2) bond length. There are a spread of Ir(1)-Au(1) bond distances ranging from 2.66-3.06 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 6-coordinate geometry to four equivalent Ir(1) and four equivalent Au(2) atoms. There are a spread of Au(1)-Au(2) bond distances ranging from 2.20-3.35 Å. In the second Au site, Au(2) is bonded in a 12-coordinate geometry to four equivalent W(1), two equivalent Ir(1), two equivalent Au(2), and four equivalent Au(1) atoms. Both Au(2)-Au(2) bond lengths are 2.82 Å.