data_W3Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3Au
_chemical_formula_sum   'W12 Au4'
_cell_volume   261.56
_cell_formula_units_Z   4
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  W4  1  0.57  0.48  0.0  1.0
  W  W5  1  0.57  0.48  0.61  1.0
  W  W6  1  0.0  0.75  0.92  1.0
  W  W7  1  0.65  0.08  0.92  1.0
  W  W8  1  0.52  0.88  0.31  1.0
  W  W9  1  0.86  0.0  0.0  1.0
  W  W10  1  0.86  0.0  0.61  1.0
  W  W11  1  0.43  0.48  0.0  1.0
  W  W12  1  0.43  0.48  0.61  1.0
  W  W13  1  0.35  0.08  0.92  1.0
  W  W14  1  0.21  0.88  0.31  1.0
  W  W15  1  0.86  0.21  0.31  1.0
  Au  Au0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.0  0.0  0.61  1.0
  Au  Au2  1  0.0  0.3  0.31  1.0
  Au  Au3  1  0.86  0.65  0.92  1.0

data_W3Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.72
_cell_length_b   5.72
_cell_length_c   9.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   W3Au
_chemical_formula_sum   'W12 Au4'
_cell_volume   261.56
_cell_formula_units_Z   4
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  0.75  0.92  1.0
  W  W1  1  0.21  0.88  0.31  1.0
  W  W2  1  0.35  0.08  0.92  1.0
  W  W3  1  0.43  0.48  0.0  1.0
  W  W4  1  0.43  0.48  0.61  1.0
  W  W5  1  0.52  0.88  0.31  1.0
  W  W6  1  0.57  0.48  0.0  1.0
  W  W7  1  0.57  0.48  0.61  1.0
  W  W8  1  0.65  0.08  0.92  1.0
  W  W9  1  0.86  0.0  0.0  1.0
  W  W10  1  0.86  0.0  0.61  1.0
  W  W11  1  0.86  0.21  0.31  1.0
  Au  Au12  1  -0.0  0.3  0.31  1.0
  Au  Au13  1  0.0  0.0  0.0  1.0
  Au  Au14  1  0.0  0.0  0.61  1.0
  Au  Au15  1  0.86  0.65  0.92  1.0

W W W W W W W W W W W W Au Au Au Au