data_FeW2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeW2Au
_chemical_formula_sum   'Fe1 W2 Au1'
_cell_volume   62.63
_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  0.12  1.0
  W  W2  1  0.62  0.0  0.11  1.0
  W  W3  1  0.0  0.0  0.69  1.0
  Au  Au0  1  0.62  0.0  0.31  1.0

data_FeW2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.73
_cell_length_b   2.73
_cell_length_c   8.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.2
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeW2Au
_chemical_formula_sum   'Fe1 W2 Au1'
_cell_volume   62.63
_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  0.12  1.0
  W  W1  1  0.0  0.0  0.69  1.0
  W  W2  1  0.62  0.0  0.11  1.0
  Au  Au3  1  0.62  0.0  0.31  1.0

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