data_Ga2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   9.74
_cell_length_c   7.0
_cell_angle_alpha   90.0
_cell_angle_beta   103.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Au
_chemical_formula_sum   'Ga8 Au4'
_cell_volume   221.73
_cell_formula_units_Z   4
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  0.35  0.51  0.03  1.0
  Ga  Ga1  1  0.53  0.65  0.18  1.0
  Ga  Ga2  1  0.35  0.22  0.77  1.0
  Ga  Ga3  1  0.17  0.09  0.63  1.0
  Ga  Ga4  1  0.08  0.22  0.41  1.0
  Ga  Ga5  1  0.45  0.09  0.99  1.0
  Ga  Ga6  1  0.62  0.51  0.39  1.0
  Ga  Ga7  1  0.25  0.65  0.81  1.0
  Au  Au8  1  0.63  0.55  0.78  1.0
  Au  Au9  1  0.89  0.69  0.63  1.0
  Au  Au10  1  0.07  0.18  0.03  1.0
  Au  Au11  1  0.81  0.05  0.18  1.0

data_Ga2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.35
_cell_length_b   7.0
_cell_length_c   9.74
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.6
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga2Au
_chemical_formula_sum   'Ga8 Au4'
_cell_volume   221.73
_cell_formula_units_Z   4
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
  Ga  Ga0  2  0.23  0.51  0.35  1.0
  Ga  Ga1  2  0.32  0.73  0.22  1.0
  Ga  Ga2  2  0.4  0.91  0.78  1.0
  Ga  Ga3  2  0.5  0.87  0.35  1.0
  Au  Au4  2  0.04  0.72  0.82  1.0
  Au  Au5  2  0.22  0.13  0.31  1.0

Ga Ga Ga Ga Ga Ga Ga Ga Au Au Au Au