data_Al2CrAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   2.84
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   101.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrAu
_chemical_formula_sum   'Al2 Cr1 Au1'
_cell_volume   59.06
_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
  Al  Al0  1  0.45  0.79  0.42  1.0
  Al  Al1  1  0.45  0.21  0.42  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0
  Au  Au2  1  0.9  0.0  0.0  1.0

data_Al2CrAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.84
_cell_length_b   4.61
_cell_length_c   4.61
_cell_angle_alpha   101.97
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrAu
_chemical_formula_sum   'Al2 Cr1 Au1'
_cell_volume   59.06
_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
  Al  Al0  1  0.42  0.45  0.21  1.0
  Al  Al1  1  0.42  0.45  0.79  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.9  0.0  1.0

Al Al Cr Au
CrAuAl2 crystallizes in the triclinic P1 space group. Cr(1) is bonded in a single-bond geometry to one Au(1) and two equivalent Al(2) atoms. The Cr(1)-Au(1) bond length is 0.45 Å. There is one shorter (2.42 Å) and one longer (2.67 Å) Cr(1)-Al(2) bond length. Au(1) is bonded in a single-bond geometry to one Cr(1), two equivalent Al(1), and two equivalent Al(2) atoms. There is one shorter (2.42 Å) and one longer (2.67 Å) Au(1)-Al(1) bond length. There is one shorter (2.74 Å) and one longer (2.96 Å) Au(1)-Al(2) bond length. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to two equivalent Au(1) and two equivalent Al(2) atoms. There is one shorter (1.93 Å) and one longer (2.68 Å) Al(1)-Al(2) bond length. In the second Al site, Al(2) is bonded in a 8-coordinate geometry to two equivalent Cr(1), two equivalent Au(1), two equivalent Al(1), and two equivalent Al(2) atoms. Both Al(2)-Al(2) bond lengths are 2.84 Å.