data_CrCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   3.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuAu2
_chemical_formula_sum   'Cr1 Cu1 Au2'
_cell_volume   64.22
_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  0.0  0.0  0.0  1.0
  Cu  Cu3  1  0.94  0.0  0.0  1.0
  Au  Au0  1  0.47  0.21  0.53  1.0
  Au  Au1  1  0.47  0.79  0.53  1.0

data_CrCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.63
_cell_length_c   4.63
_cell_angle_alpha   101.22
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrCuAu2
_chemical_formula_sum   'Cr1 Cu1 Au2'
_cell_volume   64.22
_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  Cr0  1  0.0  0.0  0.0  1.0
  Cu  Cu1  1  0.0  0.94  0.0  1.0
  Au  Au2  1  0.53  0.47  0.21  1.0
  Au  Au3  1  0.53  0.47  0.79  1.0

Cr Cu Au Au
CrAu2Cu crystallizes in the triclinic P1 space group. Cr(1) is bonded in a single-bond geometry to two equivalent Au(1), two equivalent Au(2), and one Cu(1) atom. There is one shorter (2.62 Å) and one longer (2.73 Å) Cr(1)-Au(1) bond length. There is one shorter (2.92 Å) and one longer (3.02 Å) Cr(1)-Au(2) bond length. The Cr(1)-Cu(1) bond length is 0.30 Å. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and two equivalent Au(2) atoms. There is one shorter (1.97 Å) and one longer (2.66 Å) Au(1)-Au(2) bond length. In the second Au site, Au(2) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Au(1), two equivalent Au(2), and two equivalent Cu(1) atoms. Both Au(2)-Au(2) bond lengths are 3.06 Å. There is one shorter (2.62 Å) and one longer (2.73 Å) Au(2)-Cu(1) bond length. Cu(1) is bonded in a single-bond geometry to one Cr(1) and two equivalent Au(2) atoms.