data_Au5Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.01
_cell_length_b   8.37
_cell_length_c   8.37
_cell_angle_alpha   27.21
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Au5Br
_chemical_formula_sum   'Au5 Br1'
_cell_volume   128.45
_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
  Au  Au0  1  0.0  0.0  0.86  1.0
  Au  Au1  1  0.0  0.0  0.12  1.0
  Au  Au2  1  0.0  0.0  0.01  1.0
  Au  Au3  1  0.0  0.0  0.83  1.0
  Au  Au4  1  0.0  0.0  0.03  1.0
  Br  Br5  1  0.0  0.0  0.54  1.0

data_Au5Br
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.94
_cell_length_b   4.01
_cell_length_c   8.37
_cell_angle_alpha   90.0
_cell_angle_beta   103.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Au5Br
_chemical_formula_sum   'Au5 Br1'
_cell_volume   128.45
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Au  Au0  1  0.14  0.0  0.14  1.0
  Au  Au1  1  0.17  0.0  0.17  1.0
  Au  Au2  1  0.88  0.0  0.88  1.0
  Au  Au3  1  0.97  0.0  0.97  1.0
  Au  Au4  1  0.99  0.0  0.99  1.0
  Br  Br5  1  0.46  0.0  0.46  1.0

Au Au Au Au Au Br
Au Au Au Au Au Br 0 3 o o o 0 5 o o o 1 4 o o o 1 2 o o o 2 4 o o o 3 5 o o o 
Au5Br is Indium-like structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Au5Br cluster. There are five inequivalent Au sites. In the first Au site, Au(1) is bonded in a linear geometry to one Au(3) and one Au(4) atom. The Au(1)-Au(3) bond length is 1.25 Å. The Au(1)-Au(4) bond length is 0.27 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Au(5) atom. The Au(2)-Au(5) bond length is 0.81 Å. In the third Au site, Au(3) is bonded in a linear geometry to one Au(1) and one Au(5) atom. The Au(3)-Au(5) bond length is 0.13 Å. In the fourth Au site, Au(4) is bonded in a linear geometry to one Au(1) and one Br(1) atom. The Au(4)-Br(1) bond length is 2.42 Å. In the fifth Au site, Au(5) is bonded in a linear geometry to one Au(2) and one Au(3) atom. Br(1) is bonded in a single-bond geometry to one Au(4) atom.