data_ZrAsAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAsAu2
_chemical_formula_sum   'Zr1 As1 Au2'
_cell_volume   79.27
_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  0.8  0.8  0.23  1.0
  As  As0  1  0.0  0.0  0.25  1.0
  Au  Au1  1  0.8  0.8  0.22  1.0
  Au  Au2  1  0.0  0.0  0.45  1.0

data_ZrAsAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   6.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAsAu2
_chemical_formula_sum   'Zr2 As2 Au4'
_cell_volume   158.54
_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
  Zr  Zr0  2  0.3  0.5  0.23  1.0
  As  As1  2  0.0  0.0  0.25  1.0
  Au  Au2  2  0.0  0.0  0.45  1.0
  Au  Au3  2  0.3  0.5  0.22  1.0

Zr As Au Au
Zr As Au Au 0 2 o o o 0 1 + + o 1 2 - - o 1 3 o o o 
ZrAu2As crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrAu2As clusters. Zr(1) is bonded in a single-bond geometry to one Au(1) and one As(1) atom. The Zr(1)-Au(1) bond length is 0.10 Å. The Zr(1)-As(1) bond length is 1.01 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 distorted single-bond geometry to one As(1) atom. The Au(2)-As(1) bond length is 1.24 Å. As(1) is bonded in a distorted L-shaped geometry to one Zr(1) and one Au(2) atom.