data_AlBAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   4.14
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBAu2
_chemical_formula_sum   'Al1 B1 Au2'
_cell_volume   60.26
_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  0.07  0.07  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.07  0.0  0.76  1.0
  Au  Au2  1  0.0  0.07  0.76  1.0

data_AlBAu2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   3.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlBAu2
_chemical_formula_sum   'Al2 B2 Au4'
_cell_volume   120.52
_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
  Al  Al0  2  0.07  0.0  0.0  1.0
  B  B1  2  0.0  0.0  0.0  1.0
  Au  Au2  4  0.04  0.04  0.76  1.0

Al B Au Au
Al B Au Au 0 1 o o o 2 3 o o o 
Au2AlB is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Au2AlB clusters. Au(1) is bonded in a 3-coordinate geometry to one Au(1), one Al(1), and one B(1) atom. The Au(1)-Au(1) bond length is 0.42 Å. The Au(1)-Al(1) bond length is 0.90 Å. The Au(1)-B(1) bond length is 0.90 Å. Al(1) is bonded in a single-bond geometry to two equivalent Au(1) and one B(1) atom. The Al(1)-B(1) bond length is 0.42 Å. B(1) is bonded in a single-bond geometry to two equivalent Au(1) and one Al(1) atom.