data_Si2PtAu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.29
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PtAu
_chemical_formula_sum   'Si2 Pt1 Au1'
_cell_volume   64.27
_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
  Si  Si2  1  0.42  0.64  0.56  1.0
  Si  Si3  1  0.42  0.64  0.34  1.0
  Pt  Pt1  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.0  0.0  0.45  1.0

data_Si2PtAu
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.29
_cell_length_c   6.89
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2PtAu
_chemical_formula_sum   'Si2 Pt1 Au1'
_cell_volume   64.27
_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
  Si  Si0  1  0.42  0.64  0.34  1.0
  Si  Si1  1  0.42  0.64  0.56  1.0
  Pt  Pt2  1  0.0  0.0  0.0  1.0
  Au  Au3  1  0.0  0.0  0.45  1.0

Si Si Pt Au
Si Si Pt Au 0 1 o o o 0 2 o + + 0 3 + + o 0 3 o + o 1 2 + + o 1 2 + o o 1 2 o + o 1 2 o o o 1 3 + + o 1 3 o + o 2 2 + o o 2 2 o + o 2 3 o o o 