data_ZrAgAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   5.05
_cell_angle_alpha   129.58
_cell_angle_beta   129.58
_cell_angle_gamma   74.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgAu2
_chemical_formula_sum   'Zr1 Ag1 Au2'
_cell_volume   74.8
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.15  0.02  1.0
  Au  Au1  1  0.0  0.0  0.03  1.0
  Au  Au2  1  0.15  0.0  0.02  1.0

data_ZrAgAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.31
_cell_length_b   4.31
_cell_length_c   5.05
_cell_angle_alpha   115.21
_cell_angle_beta   115.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgAu2
_chemical_formula_sum   'Zr1 Ag1 Au2'
_cell_volume   74.8
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.14  0.15  0.14  1.0
  Au  Au2  1  0.97  0.0  0.97  1.0
  Au  Au3  1  0.98  0.0  0.14  1.0

Zr Ag Au Au
Zr Ag Au Au 0 2 o o o 0 1 o o o 0 3 o o o 1 2 o o o 2 3 o o o 
ZrAu2Ag is Copper structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ZrAu2Ag cluster. Zr(1) is bonded in a distorted single-bond geometry to one Au(1), one Au(2), and one Ag(1) atom. The Zr(1)-Au(1) bond length is 0.18 Å. The Zr(1)-Au(2) bond length is 0.72 Å. The Zr(1)-Ag(1) bond length is 0.72 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Au site, Au(2) is bonded in a single-bond geometry to one Zr(1) atom. Ag(1) is bonded in a distorted single-bond geometry to one Zr(1) atom.