data_W3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.88
_cell_length_b   4.88
_cell_length_c   4.88
_cell_angle_alpha   130.68
_cell_angle_beta   130.68
_cell_angle_gamma   72.32
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3Au
_chemical_formula_sum   'W3 Au1'
_cell_volume   65.46
_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  0.04  0.0  0.97  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.04  0.97  1.0
  Au  Au0  1  0.0  0.0  0.94  1.0

data_W3Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.76
_cell_length_b   5.76
_cell_length_c   4.88
_cell_angle_alpha   90.0
_cell_angle_beta   126.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   W3Au
_chemical_formula_sum   'W6 Au2'
_cell_volume   130.92
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.48  0.48  0.93  1.0
  W  W1  2  0.0  0.0  0.0  1.0
  Au  Au2  2  0.0  0.0  0.94  1.0

W W W Au