data_Ga3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   6.69
_cell_length_c   4.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Au
_chemical_formula_sum   'Ga6 Au2'
_cell_volume   149.43
_cell_formula_units_Z   2
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  Ga2  1  0.0  0.0  0.62  1.0
  Ga  Ga3  1  0.42  0.35  0.99  1.0
  Ga  Ga4  1  0.42  0.06  0.77  1.0
  Ga  Ga5  1  0.42  0.64  0.77  1.0
  Ga  Ga6  1  0.0  0.71  0.84  1.0
  Ga  Ga7  1  0.0  0.99  0.84  1.0
  Au  Au0  1  0.42  0.0  0.11  1.0
  Au  Au1  1  0.0  0.35  0.5  1.0

data_Ga3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.61
_cell_length_b   4.84
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga3Au
_chemical_formula_sum   'Ga6 Au2'
_cell_volume   149.43
_cell_formula_units_Z   2
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  Ga0  1  0.62  0.0  0.0  1.0
  Ga  Ga1  1  0.77  0.42  0.06  1.0
  Ga  Ga2  1  0.77  0.42  0.64  1.0
  Ga  Ga3  1  0.84  0.0  0.71  1.0
  Ga  Ga4  1  0.84  0.0  0.99  1.0
  Ga  Ga5  1  0.99  0.42  0.35  1.0
  Au  Au6  1  0.11  0.42  0.0  1.0
  Au  Au7  1  0.5  0.0  0.35  1.0

Ga Ga Ga Ga Ga Ga Au Au
Ga Ga Ga Ga Ga Ga Au Au 0 5 o - o 0 4 o - o 0 7 o o o 1 2 o o o 1 6 o o + 1 3 o o o 1 7 o o + 1 7 o o o 2 6 o o + 2 7 o o o 3 4 o o o 3 7 o o o 4 5 o o o 4 7 o o o 5 7 o + o 
AuGa3 crystallizes in the triclinic P1 space group. There are two inequivalent Au sites. In the first Au site, Au(1) is bonded in a distorted single-bond geometry to one Ga(2), one Ga(3), and one Ga(4) atom. The Au(1)-Ga(2) bond length is 2.39 Å. The Au(1)-Ga(3) bond length is 1.60 Å. The Au(1)-Ga(4) bond length is 2.87 Å. In the second Au site, Au(2) is bonded in a 1-coordinate geometry to one Ga(1), one Ga(4), one Ga(5), and two equivalent Ga(2) atoms. The Au(2)-Ga(1) bond length is 2.39 Å. The Au(2)-Ga(4) bond length is 3.10 Å. The Au(2)-Ga(5) bond length is 2.87 Å. There is one shorter (3.05 Å) and one longer (3.11 Å) Au(2)-Ga(2) bond length. There are six inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a 2-coordinate geometry to one Au(2) and one Ga(6) atom. The Ga(1)-Ga(6) bond length is 0.99 Å. In the second Ga site, Ga(2) is bonded in a 5-coordinate geometry to one Au(1), two equivalent Au(2), one Ga(3), and one Ga(4) atom. The Ga(2)-Ga(3) bond length is 2.19 Å. The Ga(2)-Ga(4) bond length is 2.19 Å. In the third Ga site, Ga(3) is bonded in a single-bond geometry to one Au(1), one Ga(2), and one Ga(4) atom. The Ga(3)-Ga(4) bond length is 2.78 Å. In the fourth Ga site, Ga(4) is bonded in a 6-coordinate geometry to one Au(1), one Au(2), one Ga(2), one Ga(3), and two equivalent Ga(5) atoms. There is one shorter (2.11 Å) and one longer (2.86 Å) Ga(4)-Ga(5) bond length. In the fifth Ga site, Ga(5) is bonded in a 3-coordinate geometry to one Au(2), one Ga(6), and two equivalent Ga(4) atoms. The Ga(5)-Ga(6) bond length is 1.86 Å. In the sixth Ga site, Ga(6) is bonded in a distorted single-bond geometry to one Ga(1) and one Ga(5) atom.