data_GaAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAu
_chemical_formula_sum   'Ga2 Au2'
_cell_volume   72.98
_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  0.02  0.11  0.17  1.0
  Ga  Ga3  1  0.02  0.89  0.99  1.0
  Au  Au0  1  0.02  0.11  0.12  1.0
  Au  Au1  1  0.02  0.89  0.04  1.0

data_GaAu
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.0
_cell_length_b   3.0
_cell_length_c   8.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   95.13
_symmetry_Int_Tables_number   2
_chemical_formula_structural   GaAu
_chemical_formula_sum   'Ga2 Au2'
_cell_volume   72.98
_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  0.11  0.09  1.0
  Au  Au1  2  0.0  0.11  0.04  1.0

Ga Ga Au Au