data_ZnCr2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.09
_cell_length_b   3.09
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnCr2Au
_chemical_formula_sum   'Zn1 Cr2 Au1'
_cell_volume   54.49
_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
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.55  0.55  0.51  1.0
  Cr  Cr2  1  0.55  0.55  0.18  1.0
  Au  Au0  1  0.0  0.0  0.85  1.0

data_ZnCr2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnCr2Au
_chemical_formula_sum   'Zn2 Cr4 Au2'
_cell_volume   108.97
_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
  Zn  Zn0  2  0.0  0.0  0.0  1.0
  Cr  Cr1  2  0.05  0.5  0.18  1.0
  Cr  Cr2  2  0.05  0.5  0.51  1.0
  Au  Au3  2  0.0  0.0  0.85  1.0

Zn Cr Cr Au
Cr2AuZn crystallizes in the monoclinic Cm space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one Cr(2) and four equivalent Au(1) atoms. The Cr(1)-Cr(2) bond length is 1.88 Å. There are a spread of Cr(1)-Au(1) bond distances ranging from 2.75-3.06 Å. In the second Cr site, Cr(2) is bonded in a 5-coordinate geometry to one Cr(1) and four equivalent Zn(1) atoms. There are a spread of Cr(2)-Zn(1) bond distances ranging from 2.23-2.60 Å. Au(1) is bonded in a single-bond geometry to four equivalent Cr(1) and one Zn(1) atom. The Au(1)-Zn(1) bond length is 0.88 Å. Zn(1) is bonded in a single-bond geometry to four equivalent Cr(2) and one Au(1) atom.