data_Ga2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   7.86
_cell_angle_alpha   118.78
_cell_angle_beta   118.78
_cell_angle_gamma   44.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2Au
_chemical_formula_sum   'Ga4 Au2'
_cell_volume   115.07
_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  0.25  0.0  0.75  1.0
  Ga  Ga3  1  0.18  0.0  0.63  1.0
  Ga  Ga4  1  0.93  0.0  0.09  1.0
  Ga  Ga5  1  0.86  0.0  0.96  1.0
  Au  Au0  1  0.47  0.0  0.37  1.0
  Au  Au1  1  0.64  0.0  0.35  1.0

data_Ga2Au
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.73
_cell_length_b   4.96
_cell_length_c   6.99
_cell_angle_alpha   80.29
_cell_angle_beta   74.52
_cell_angle_gamma   67.93
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Ga2Au
_chemical_formula_sum   'Ga4 Au2'
_cell_volume   115.07
_cell_formula_units_Z   2
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  0.0  0.3  0.39  1.0
  Ga  Ga1  2  0.0  0.36  0.27  1.0
  Au  Au2  2  0.0  0.1  0.99  1.0

Ga Ga Ga Ga Au Au
Ga Ga Ga Ga Au Au 0 1 o o o 2 3 o o - 4 5 o o o 