data_AsAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   3.33
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsAu2Br
_chemical_formula_sum   'As1 Au2 Br1'
_cell_volume   83.23
_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
  As  As0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.66  0.66  0.61  1.0
  Au  Au2  1  0.66  0.66  0.91  1.0
  Br  Br3  1  0.0  0.0  0.76  1.0

data_AsAu2Br
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.7
_cell_length_b   4.7
_cell_length_c   7.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AsAu2Br
_chemical_formula_sum   'As2 Au4 Br2'
_cell_volume   166.45
_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
  As  As0  2  0.0  0.0  0.0  1.0
  Au  Au1  2  0.16  0.5  0.61  1.0
  Au  Au2  2  0.16  0.5  0.91  1.0
  Br  Br3  2  0.0  0.0  0.76  1.0

As Au Au Br
Au2AsBr is Indium-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two Au2AsBr clusters. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Br(1) atom. The Au(1)-Br(1) bond length is 1.95 Å. In the second Au site, Au(2) is bonded in a 2-coordinate geometry to one As(1) and one Br(1) atom. The Au(2)-As(1) bond length is 1.71 Å. The Au(2)-Br(1) bond length is 1.95 Å. As(1) is bonded in a 2-coordinate geometry to one Au(2) and one Br(1) atom. The As(1)-Br(1) bond length is 1.79 Å. Br(1) is bonded in a 3-coordinate geometry to one Au(1), one Au(2), and one As(1) atom.