data_ZrAs2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.74
_cell_length_b   3.74
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAs2Au
_chemical_formula_sum   'Zr1 As2 Au1'
_cell_volume   78.98
_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  0.45  1.0
  As  As0  1  0.87  0.87  0.29  1.0
  As  As1  1  0.0  0.0  0.77  1.0
  Au  Au2  1  0.87  0.87  0.57  1.0

data_ZrAs2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrAs2Au
_chemical_formula_sum   'Zr2 As4 Au2'
_cell_volume   157.96
_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  0.0  0.0  0.45  1.0
  As  As1  2  0.0  0.0  0.77  1.0
  As  As2  2  0.37  0.5  0.29  1.0
  Au  Au3  2  0.37  0.5  0.57  1.0

Zr As As Au
ZrAuAs2 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two ZrAuAs2 clusters. Zr(1) is bonded in a distorted water-like geometry to one Au(1) and one As(1) atom. The Zr(1)-Au(1) bond length is 0.96 Å. The Zr(1)-As(1) bond length is 1.13 Å. Au(1) is bonded in a distorted single-bond geometry to one Zr(1) and one As(2) atom. The Au(1)-As(2) bond length is 1.30 Å. There are two inequivalent As sites. In the first As site, As(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second As site, As(2) is bonded in a distorted single-bond geometry to one Au(1) atom.