data_W3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   151.55
_cell_angle_beta   63.33
_cell_angle_gamma   124.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3Au
_chemical_formula_sum   'W3 Au1'
_cell_volume   65.75
_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
  W  W1  1  0.0  0.04  0.9  1.0
  W  W2  1  0.0  0.0  0.5  1.0
  W  W3  1  0.0  0.38  0.9  1.0
  Au  Au0  1  0.0  0.71  0.55  1.0

data_W3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.72
_cell_length_b   5.13
_cell_length_c   5.53
_cell_angle_alpha   117.64
_cell_angle_beta   104.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3Au
_chemical_formula_sum   'W3 Au1'
_cell_volume   65.75
_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
  W  W0  1  0.0  0.5  0.5  1.0
  W  W1  1  0.04  0.15  0.15  1.0
  W  W2  1  0.38  0.48  0.48  1.0
  Au  Au3  1  0.71  0.16  0.16  1.0

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