data_SiPtAu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   149.03
_cell_angle_beta   143.08
_cell_angle_gamma   48.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtAu2
_chemical_formula_sum   'Si1 Pt1 Au2'
_cell_volume   69.07
_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  Si3  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.0  0.0  0.53  1.0
  Au  Au0  1  0.62  0.0  0.09  1.0
  Au  Au1  1  0.0  0.92  0.44  1.0

data_SiPtAu2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.85
_cell_length_c   6.08
_cell_angle_alpha   108.46
_cell_angle_beta   105.49
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPtAu2
_chemical_formula_sum   'Si1 Pt1 Au2'
_cell_volume   69.07
_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  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.53  0.53  1.0
  Au  Au2  1  0.0  0.09  0.47  1.0
  Au  Au3  1  0.08  0.52  0.52  1.0

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