data_FeCuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.8
_cell_length_b   3.77
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   92.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuAu2
_chemical_formula_sum   'Fe1 Cu1 Au2'
_cell_volume   60.86
_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  Fe3  1  0.0  0.0  0.0  1.0
  Cu  Cu2  1  0.87  0.0  0.88  1.0
  Au  Au0  1  0.35  0.89  0.44  1.0
  Au  Au1  1  0.18  0.89  0.33  1.0

data_FeCuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.8
_cell_length_b   3.77
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   92.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCuAu2
_chemical_formula_sum   'Fe1 Cu1 Au2'
_cell_volume   60.86
_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  0.0  1.0
  Cu  Cu1  1  0.87  0.0  0.88  1.0
  Au  Au2  1  0.18  0.89  0.33  1.0
  Au  Au3  1  0.35  0.89  0.44  1.0

Fe Cu Au Au