data_AlWAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlWAu
_chemical_formula_sum   'Al1 W1 Au1'
_cell_volume   48.82
_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
  Al  Al0  1  0.0  0.0  0.83  1.0
  W  W2  1  0.0  0.66  0.64  1.0
  Au  Au1  1  0.43  0.83  0.22  1.0

data_AlWAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.87
_cell_length_b   2.87
_cell_length_c   6.85
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlWAu
_chemical_formula_sum   'Al1 W1 Au1'
_cell_volume   48.82
_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
  Al  Al0  1  0.0  0.0  0.83  1.0
  W  W1  1  0.0  0.66  0.64  1.0
  Au  Au2  1  0.43  0.83  0.22  1.0

Al W Au
Al W Au 0 1 o - o 0 2 o o + 0 2 o - + 0 2 - - + 1 2 o o o 1 2 - o o 2 2 + + o 2 2 o + o 2 2 + o o 