data_Fe2WAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   3.71
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2WAu
_chemical_formula_sum   'Fe2 W1 Au1'
_cell_volume   56.7
_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
  Fe  Fe1  1  0.0  0.0  0.17  1.0
  Fe  Fe2  1  0.38  0.85  0.35  1.0
  W  W3  1  0.0  0.0  0.55  1.0
  Au  Au0  1  0.38  0.85  0.21  1.0

data_Fe2WAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   3.71
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2WAu
_chemical_formula_sum   'Fe2 W1 Au1'
_cell_volume   56.7
_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
  Fe  Fe0  1  0.0  0.0  0.17  1.0
  Fe  Fe1  1  0.38  0.85  0.35  1.0
  W  W2  1  0.0  0.0  0.55  1.0
  Au  Au3  1  0.38  0.85  0.21  1.0

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