data_WAu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.82
_cell_length_b   5.82
_cell_length_c   4.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   WAu3
_chemical_formula_sum   'W2 Au6'
_cell_volume   133.24
_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  W6  1  0.0  0.36  0.14  1.0
  W  W7  1  0.91  0.68  0.41  1.0
  Au  Au0  1  0.0  0.72  0.41  1.0
  Au  Au1  1  0.42  0.18  0.41  1.0
  Au  Au2  1  0.58  0.18  0.41  1.0
  Au  Au3  1  0.91  0.32  0.14  1.0
  Au  Au4  1  0.49  0.86  0.14  1.0
  Au  Au5  1  0.33  0.86  0.14  1.0

data_WAu3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.55
_cell_length_b   5.82
_cell_length_c   5.82
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   WAu3
_chemical_formula_sum   'W2 Au6'
_cell_volume   133.24
_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  0.14  0.45  0.66  1.0
  Au  Au1  2  0.14  0.13  0.16  1.0
  Au  Au2  2  0.14  0.55  0.7  1.0
  Au  Au3  2  0.14  0.97  0.16  1.0

W W Au Au Au Au Au Au