data_Al2AuBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   119.11
_cell_angle_beta   119.11
_cell_angle_gamma   91.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2AuBr
_chemical_formula_sum   'Al2 Au1 Br1'
_cell_volume   85.81
_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  0.5  0.0  0.72  1.0
  Al  Al1  1  0.0  0.5  0.72  1.0
  Au  Au2  1  0.0  0.0  0.44  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

data_Al2AuBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.88
_cell_length_b   7.07
_cell_length_c   4.93
_cell_angle_alpha   90.0
_cell_angle_beta   134.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2AuBr
_chemical_formula_sum   'Al4 Au2 Br2'
_cell_volume   171.62
_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  4  0.25  0.25  0.28  1.0
  Au  Au1  2  0.0  0.0  0.56  1.0
  Br  Br2  2  0.0  0.0  0.0  1.0

Al Al Au Br
AuAl2Br crystallizes in the monoclinic Cm space group. Au(1) is bonded in a 3-coordinate geometry to two equivalent Al(1) and two equivalent Br(1) atoms. Both Au(1)-Al(1) bond lengths are 2.15 Å. There is one shorter (2.16 Å) and one longer (2.77 Å) Au(1)-Br(1) bond length. Al(1) is bonded in a linear geometry to one Au(1) and one Br(1) atom. The Al(1)-Br(1) bond length is 2.17 Å. Br(1) is bonded in a 4-coordinate geometry to two equivalent Au(1) and two equivalent Al(1) atoms.