data_SiPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05
_cell_length_b   5.05
_cell_length_c   4.71
_cell_angle_alpha   113.54
_cell_angle_beta   113.54
_cell_angle_gamma   35.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt2Au
_chemical_formula_sum   'Si1 Pt2 Au1'
_cell_volume   63.94
_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  0.69  1.0
  Pt  Pt1  1  0.56  0.0  0.03  1.0
  Pt  Pt2  1  0.97  0.0  0.46  1.0
  Au  Au0  1  0.51  0.0  0.23  1.0

data_SiPt2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   4.71
_cell_length_c   5.05
_cell_angle_alpha   113.54
_cell_angle_beta   107.98
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPt2Au
_chemical_formula_sum   'Si1 Pt2 Au1'
_cell_volume   63.94
_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  0.69  0.0  1.0
  Pt  Pt1  1  0.0  0.03  0.56  1.0
  Pt  Pt2  1  0.0  0.46  0.97  1.0
  Au  Au3  1  0.0  0.23  0.51  1.0

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