data_Ga3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.73
_cell_length_b   9.73
_cell_length_c   9.73
_cell_angle_alpha   17.47
_cell_angle_beta   17.47
_cell_angle_gamma   17.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Au
_chemical_formula_sum   'Ga3 Au1'
_cell_volume   72.46
_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  Ga1  1  0.0  0.0  0.17  1.0
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Ga  Ga3  1  0.0  0.0  0.57  1.0
  Au  Au0  1  0.0  0.0  0.37  1.0

data_Ga3Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.12
_cell_length_b   2.96
_cell_length_c   9.73
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ga3Au
_chemical_formula_sum   'Ga6 Au2'
_cell_volume   144.92
_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
  Ga  Ga1  2  0.0  0.0  0.43  1.0
  Ga  Ga2  2  0.0  0.0  0.83  1.0
  Au  Au3  2  0.0  0.0  0.63  1.0

Ga Ga Ga Au
Ga Ga Ga Au 0 1 o o o 0 3 o o o 2 3 o o o 
AuGa3 crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two AuGa3 clusters. Au(1) is bonded in a linear geometry to one Ga(1) and one Ga(3) atom. The Au(1)-Ga(1) bond length is 1.92 Å. The Au(1)-Ga(3) bond length is 1.92 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted linear geometry to one Au(1) and one Ga(2) atom. The Ga(1)-Ga(2) bond length is 1.69 Å. In the second Ga site, Ga(2) is bonded in a single-bond geometry to one Ga(1) atom. In the third Ga site, Ga(3) is bonded in a single-bond geometry to one Au(1) atom.