data_PbAu2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.59
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   134.18
_cell_angle_beta   113.6
_cell_angle_gamma   84.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbAu2Br
_chemical_formula_sum   'Pb1 Au2 Br1'
_cell_volume   110.17
_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
  Pb  Pb3  1  0.0  0.06  0.59  1.0
  Au  Au0  1  0.0  0.0  0.21  1.0
  Au  Au1  1  0.18  0.0  0.83  1.0
  Br  Br2  1  0.0  0.0  0.65  1.0

data_PbAu2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   5.59
_cell_length_c   5.59
_cell_angle_alpha   66.4
_cell_angle_beta   67.09
_cell_angle_gamma   67.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PbAu2Br
_chemical_formula_sum   'Pb1 Au2 Br1'
_cell_volume   110.17
_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
  Pb  Pb0  1  0.59  -0.0  0.47  1.0
  Au  Au1  1  0.21  0.0  0.79  1.0
  Au  Au2  1  0.65  0.18  0.17  1.0
  Br  Br3  1  0.65  -0.0  0.35  1.0

Pb Au Au Br
Au2PbBr is alpha structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Au2PbBr cluster. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Pb(1) atom. The Au(1)-Pb(1) bond length is 1.86 Å. In the second Au site, Au(2) is bonded in a single-bond geometry to one Br(1) atom. The Au(2)-Br(1) bond length is 1.08 Å. Pb(1) is bonded in a distorted single-bond geometry to one Au(1) and one Br(1) atom. The Pb(1)-Br(1) bond length is 0.63 Å. Br(1) is bonded in a bent 120 degrees geometry to one Au(2) and one Pb(1) atom.