data_Cr2AgAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.23
_cell_length_b   3.23
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2AgAu
_chemical_formula_sum   'Cr2 Ag1 Au1'
_cell_volume   68.58
_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  Cr2  1  0.62  0.62  0.89  1.0
  Cr  Cr3  1  0.62  0.62  0.67  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.28  1.0

data_Cr2AgAu
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.57
_cell_length_b   4.57
_cell_length_c   6.56
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Cr2AgAu
_chemical_formula_sum   'Cr4 Ag2 Au2'
_cell_volume   137.15
_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  0.12  0.5  0.67  1.0
  Cr  Cr1  2  0.12  0.5  0.89  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Au  Au3  2  0.0  0.0  0.28  1.0

Cr Cr Ag Au
Cr Cr Ag Au 0 1 o o o 0 2 + + + 2 3 o o o 
Cr2AuAg 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 Ag(1) atoms. The Cr(1)-Cr(2) bond length is 1.38 Å. There are a spread of Cr(1)-Ag(1) bond distances ranging from 1.91-2.92 Å. In the second Cr site, Cr(2) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one Au(1) atom. The Cr(2)-Au(1) bond length is 3.13 Å. Au(1) is bonded in a distorted single-bond geometry to one Cr(2) and one Ag(1) atom. The Au(1)-Ag(1) bond length is 1.83 Å. Ag(1) is bonded in a 2-coordinate geometry to four equivalent Cr(1) and one Au(1) atom.