data_WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   2.83
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WAu
_chemical_formula_sum   'W2 Au2'
_cell_volume   66.82
_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
  W  W2  1  0.48  0.0  0.74  1.0
  W  W3  1  0.16  0.0  0.35  1.0
  Au  Au0  1  0.48  0.42  0.31  1.0
  Au  Au1  1  0.16  0.42  0.77  1.0

data_WAu
_symmetry_space_group_name_H-M   P2
_cell_length_a   4.64
_cell_length_b   2.83
_cell_length_c   5.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   3
_chemical_formula_structural   WAu
_chemical_formula_sum   'W2 Au2'
_cell_volume   66.82
_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
  W  W0  2  0.16  0.0  0.69  1.0
  Au  Au1  2  0.16  0.42  0.27  1.0

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