data_Sn2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.84
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2WAu
_chemical_formula_sum   'Sn2 W1 Au1'
_cell_volume   83.66
_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
  Sn  Sn1  1  0.0  0.0  0.0  1.0
  Sn  Sn2  1  0.52  0.0  0.84  1.0
  W  W3  1  0.52  0.42  0.0  1.0
  Au  Au0  1  0.0  0.42  0.84  1.0

data_Sn2WAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.84
_cell_length_c   5.67
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2WAu
_chemical_formula_sum   'Sn2 W1 Au1'
_cell_volume   83.66
_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
  Sn  Sn0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.52  0.0  0.84  1.0
  W  W2  1  0.52  0.42  0.0  1.0
  Au  Au3  1  -0.0  0.42  0.84  1.0

Sn Sn W Au
Sn Sn W Au 0 1 - o - 0 1 o o - 2 3 o o - 2 3 + o - 