data_FeSiAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.94
_cell_length_b   3.95
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiAu2
_chemical_formula_sum   'Fe1 Si1 Au2'
_cell_volume   63.09
_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  0.97  0.0  0.03  1.0
  Si  Si3  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.97  0.03  1.0
  Au  Au1  1  0.97  0.97  0.0  1.0

data_FeSiAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.94
_cell_length_b   3.95
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeSiAu2
_chemical_formula_sum   'Fe1 Si1 Au2'
_cell_volume   63.09
_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  0.97  0.0  0.03  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Au  Au2  1  -0.0  0.97  0.03  1.0
  Au  Au3  1  0.97  0.97  -0.0  1.0

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