data_AlAuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.6
_cell_length_b   3.6
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAuBr2
_chemical_formula_sum   'Al1 Au1 Br2'
_cell_volume   97.41
_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  0.0  1.0
  Au  Au1  1  0.0  0.0  0.76  1.0
  Br  Br2  1  0.8  0.8  0.58  1.0
  Br  Br3  1  0.8  0.8  0.94  1.0

data_AlAuBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   7.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlAuBr2
_chemical_formula_sum   'Al2 Au2 Br4'
_cell_volume   194.82
_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  0.0  0.0  0.0  1.0
  Au  Au1  2  0.0  0.0  0.76  1.0
  Br  Br2  2  0.3  0.5  0.58  1.0
  Br  Br3  2  0.3  0.5  0.94  1.0

Al Au Br Br
Al Au Br Br 0 3 - - - 0 1 o o - 1 2 - - o 1 3 - - o 
AuAlBr2 is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AuAlBr2 clusters. Au(1) is bonded in a 3-coordinate geometry to one Al(1), one Br(1), and one Br(2) atom. The Au(1)-Al(1) bond length is 1.81 Å. The Au(1)-Br(1) bond length is 1.68 Å. The Au(1)-Br(2) bond length is 1.68 Å. Al(1) is bonded in a distorted single-bond geometry to one Au(1) and one Br(2) atom. The Al(1)-Br(2) bond length is 1.12 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a single-bond geometry to one Au(1) atom. In the second Br site, Br(2) is bonded in a distorted single-bond geometry to one Au(1) and one Al(1) atom.