data_Cr3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.34
_cell_length_b   8.34
_cell_length_c   8.34
_cell_angle_alpha   19.08
_cell_angle_beta   19.08
_cell_angle_gamma   19.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr3Au
_chemical_formula_sum   'Cr3 Au1'
_cell_volume   54.25
_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
  Cr  Cr1  1  0.0  0.0  0.42  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Cr  Cr3  1  0.0  0.0  0.15  1.0
  Au  Au0  1  0.0  0.0  0.29  1.0

data_Cr3Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.79
_cell_length_b   2.77
_cell_length_c   8.34
_cell_angle_alpha   90.0
_cell_angle_beta   101.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr3Au
_chemical_formula_sum   'Cr6 Au2'
_cell_volume   108.5
_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
  Cr  Cr0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.0  0.0  0.58  1.0
  Cr  Cr2  2  0.0  0.0  0.85  1.0
  Au  Au3  2  0.0  0.0  0.71  1.0

Cr Cr Cr Au
Cr3Au is Cyanogen Chloride-derived structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Cr3Au clusters. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a single-bond geometry to one Au(1) atom. The Cr(1)-Au(1) bond length is 1.12 Å. In the second Cr site, Cr(2) is bonded in a single-bond geometry to one Cr(3) atom. The Cr(2)-Cr(3) bond length is 1.27 Å. In the third Cr site, Cr(3) is bonded in a distorted single-bond geometry to one Cr(2) and one Au(1) atom. The Cr(3)-Au(1) bond length is 1.12 Å. Au(1) is bonded in a linear geometry to one Cr(1) and one Cr(3) atom.