data_GeIr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   150.09
_cell_angle_beta   131.42
_cell_angle_gamma   58.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2Au
_chemical_formula_sum   'Ge1 Ir2 Au1'
_cell_volume   63.49
_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
  Ge  Ge1  1  0.0  0.0  0.45  1.0
  Ir  Ir2  1  0.0  0.28  0.69  1.0
  Ir  Ir3  1  0.0  0.0  0.27  1.0
  Au  Au0  1  0.0  0.28  0.15  1.0

data_GeIr2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.57
_cell_length_c   5.55
_cell_angle_alpha   114.29
_cell_angle_beta   104.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeIr2Au
_chemical_formula_sum   'Ge1 Ir2 Au1'
_cell_volume   63.49
_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
  Ge  Ge0  1  0.55  0.55  0.55  1.0
  Ir  Ir1  1  0.31  0.6  0.6  1.0
  Ir  Ir2  1  0.73  0.73  0.73  1.0
  Au  Au3  1  0.85  0.14  0.14  1.0

Ge Ir Ir Au
Ge Ir Ir Au 0 1 o o o 0 2 o o o 0 3 o - o 0 3 o o + 1 3 o o + 2 3 o o o 3 3 o + + 
Ir2AuGe crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Ir2AuGe cluster. There are two inequivalent Ir sites. In the first Ir site, Ir(1) is bonded in a single-bond geometry to one Ge(1) atom. The Ir(1)-Ge(1) bond length is 0.79 Å. In the second Ir site, Ir(2) is bonded in a 1-coordinate geometry to one Au(1) and one Ge(1) atom. The Ir(2)-Au(1) bond length is 2.20 Å. The Ir(2)-Ge(1) bond length is 1.00 Å. Au(1) is bonded in a 1-coordinate geometry to one Ir(2) atom. Ge(1) is bonded in a distorted L-shaped geometry to one Ir(1) and one Ir(2) atom.