data_GaAuBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   37.25
_cell_angle_beta   37.25
_cell_angle_gamma   37.25
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAuBr2
_chemical_formula_sum   'Ga1 Au1 Br2'
_cell_volume   107.44
_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
  Ga  Ga3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.61  1.0
  Br  Br1  1  0.0  0.0  0.63  1.0
  Br  Br2  1  0.0  0.0  0.59  1.0

data_GaAuBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.62
_cell_length_b   4.4
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   111.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   GaAuBr2
_chemical_formula_sum   'Ga2 Au2 Br4'
_cell_volume   214.87
_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
  Ga  Ga0  2  0.0  0.0  0.0  1.0
  Au  Au1  2  0.0  0.0  0.39  1.0
  Br  Br2  2  0.0  0.0  0.37  1.0
  Br  Br3  2  0.0  0.0  0.41  1.0

Ga Au Br Br
AuGaBr2 is Cyanogen Chloride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AuGaBr2 clusters. Au(1) is bonded in a linear geometry to one Br(1) and one Br(2) atom. The Au(1)-Br(1) bond length is 0.14 Å. The Au(1)-Br(2) bond length is 0.14 Å. Ga(1) is bonded in a single-bond geometry to one Br(1) atom. The Ga(1)-Br(1) bond length is 2.57 Å. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a distorted linear geometry to one Au(1) and one Ga(1) atom. In the second Br site, Br(2) is bonded in a single-bond geometry to one Au(1) atom.