data_ZnIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43
_cell_length_b   5.43
_cell_length_c   5.43
_cell_angle_alpha   149.87
_cell_angle_beta   130.01
_cell_angle_gamma   59.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr2Au
_chemical_formula_sum   'Zn1 Ir2 Au1'
_cell_volume   61.21
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.41  0.0  0.15  1.0
  Ir  Ir2  1  0.0  0.3  0.57  1.0
  Au  Au0  1  0.0  0.0  0.72  1.0

data_ZnIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.59
_cell_length_c   5.43
_cell_angle_alpha   114.99
_cell_angle_beta   105.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnIr2Au
_chemical_formula_sum   'Zn1 Ir2 Au1'
_cell_volume   61.21
_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
  Zn  Zn0  1  0.0  0.0  0.0  1.0
  Ir  Ir1  1  0.0  0.15  0.74  1.0
  Ir  Ir2  1  0.7  0.27  0.27  1.0
  Au  Au3  1  0.0  0.72  0.72  1.0

Zn Ir Ir Au
Zn Ir Ir Au 0 2 o o o 0 2 o - - 0 1 o o o 0 3 o o - 1 3 o o - 2 3 o o o 
Ir2AuZn crystallizes in the triclinic P1 space group. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a 3-coordinate geometry to two equivalent Au(1) and one Zn(1) atom. There is one shorter (1.94 Å) and one longer (2.66 Å) Ir(1)-Au(1) bond length. The Ir(1)-Zn(1) bond length is 1.83 Å. In the second Ir site, Ir(2) is bonded in a 3-coordinate geometry to one Au(1) and two equivalent Zn(1) atoms. The Ir(2)-Au(1) bond length is 2.34 Å. There is one shorter (1.89 Å) and one longer (2.15 Å) Ir(2)-Zn(1) bond length. Au(1) is bonded in a distorted single-bond geometry to one Ir(2), two equivalent Ir(1), and one Zn(1) atom. The Au(1)-Zn(1) bond length is 1.53 Å. Zn(1) is bonded in a 4-coordinate geometry to one Ir(1), two equivalent Ir(2), and one Au(1) atom.