data_FeRuAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.91
_cell_length_b   3.46
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRuAu2
_chemical_formula_sum   'Fe1 Ru1 Au2'
_cell_volume   63.26
_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  Fe2  1  0.0  0.0  0.33  1.0
  Ru  Ru3  1  0.46  0.73  0.49  1.0
  Au  Au0  1  0.0  0.0  0.18  1.0
  Au  Au1  1  0.46  0.73  0.7  1.0

data_FeRuAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.91
_cell_length_b   3.46
_cell_length_c   6.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeRuAu2
_chemical_formula_sum   'Fe1 Ru1 Au2'
_cell_volume   63.26
_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  0.33  1.0
  Ru  Ru1  1  0.46  0.73  0.49  1.0
  Au  Au2  1  0.0  0.0  0.18  1.0
  Au  Au3  1  0.46  0.73  0.7  1.0

Fe Ru Au Au