data_Al2BiAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BiAu
_chemical_formula_sum   'Al2 Bi1 Au1'
_cell_volume   84.72
_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  0.0  0.0  0.92  1.0
  Al  Al1  1  0.22  0.0  0.14  1.0
  Bi  Bi3  1  0.22  0.0  0.09  1.0
  Au  Au2  1  0.0  0.0  0.63  1.0

data_Al2BiAu
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.19
_cell_length_b   3.19
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Al2BiAu
_chemical_formula_sum   'Al2 Bi1 Au1'
_cell_volume   84.76
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.0  0.0  0.92  1.0
  Al  Al1  1  0.22  0.0  0.14  1.0
  Bi  Bi2  1  0.22  0.0  0.09  1.0
  Au  Au3  1  0.0  0.0  0.63  1.0

Al Al Bi Au
Al Al Bi Au 0 2 o o + 0 3 o o o 1 2 o o o 
AuAl2Bi crystallizes in the monoclinic Pm space group. The structure is zero-dimensional and consists of one AuAl2Bi cluster. Au(1) is bonded in a single-bond geometry to one Al(1) atom. The Au(1)-Al(1) bond length is 2.36 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a distorted bent 150 degrees geometry to one Au(1) and one Bi(1) atom. The Al(1)-Bi(1) bond length is 1.58 Å. In the second Al site, Al(2) is bonded in a single-bond geometry to one Bi(1) atom. The Al(2)-Bi(1) bond length is 0.43 Å. Bi(1) is bonded in a distorted single-bond geometry to one Al(1) and one Al(2) atom.