data_Ga2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   4.92
_cell_length_c   4.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2WAu
_chemical_formula_sum   'Ga2 W1 Au1'
_cell_volume   65.98
_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  0.51  0.0  0.12  1.0
  Ga  Ga2  1  0.01  0.46  0.1  1.0
  W  W3  1  0.08  0.0  0.46  1.0
  Au  Au0  1  0.48  0.46  0.41  1.0

data_Ga2WAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   4.73
_cell_length_c   4.92
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.07
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ga2WAu
_chemical_formula_sum   'Ga2 W1 Au1'
_cell_volume   65.98
_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  Ga0  1  0.49  0.88  0.0  1.0
  Ga  Ga1  1  0.99  0.9  0.54  1.0
  W  W2  1  0.92  0.54  0.0  1.0
  Au  Au3  1  0.52  0.59  0.54  1.0

Ga Ga W Au
Ga Ga W Au 0 2 o o o 0 2 + o o 1 3 - o o 1 3 o o o 