data_Pb2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.74
_cell_length_b   5.74
_cell_length_c   5.74
_cell_angle_alpha   136.74
_cell_angle_beta   136.74
_cell_angle_gamma   62.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb2WAu
_chemical_formula_sum   'Pb2 W1 Au1'
_cell_volume   87.55
_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
  Pb  Pb1  1  0.0  0.0  0.9  1.0
  Pb  Pb2  1  0.0  0.11  0.45  1.0
  W  W3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.11  0.0  0.45  1.0

data_Pb2WAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.23
_cell_length_b   4.23
_cell_length_c   5.74
_cell_angle_alpha   111.63
_cell_angle_beta   111.63
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pb2WAu
_chemical_formula_sum   'Pb2 W1 Au1'
_cell_volume   87.55
_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
  Pb  Pb0  1  0.1  0.0  0.1  1.0
  Pb  Pb1  1  0.67  0.11  0.67  1.0
  W  W2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.55  0.0  0.67  1.0

Pb Pb W Au
Pb Pb W Au 0 2 o o + 1 3 o o o 