data_AsAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.27
_cell_length_b   5.27
_cell_length_c   5.27
_cell_angle_alpha   130.79
_cell_angle_beta   130.79
_cell_angle_gamma   72.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsAu2Br
_chemical_formula_sum   'As1 Au2 Br1'
_cell_volume   82.14
_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  0.0  0.2  0.13  1.0
  Au  Au2  1  0.0  0.0  0.26  1.0
  Br  Br3  1  0.2  0.0  0.13  1.0

data_AsAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   5.27
_cell_angle_alpha   114.6
_cell_angle_beta   114.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsAu2Br
_chemical_formula_sum   'As1 Au2 Br1'
_cell_volume   82.14
_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  0.06  0.2  0.06  1.0
  Au  Au2  1  0.74  0.0  0.74  1.0
  Br  Br3  1  0.87  0.0  0.06  1.0

As Au Au Br
Au2AsBr is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Au2AsBr cluster. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a single-bond geometry to one Au(2) and one As(1) atom. The Au(1)-Au(2) bond length is 1.57 Å. The Au(1)-As(1) bond length is 0.78 Å. In the second Au site, Au(2) is bonded in a 3-coordinate geometry to one Au(1), one As(1), and one Br(1) atom. The Au(2)-As(1) bond length is 1.38 Å. The Au(2)-Br(1) bond length is 1.57 Å. As(1) is bonded in a distorted water-like geometry to one Au(1), one Au(2), and one Br(1) atom. The As(1)-Br(1) bond length is 0.78 Å. Br(1) is bonded in a single-bond geometry to one Au(2) and one As(1) atom.