data_SnPt2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPt2Au
_chemical_formula_sum   'Sn1 Pt2 Au1'
_cell_volume   72.92
_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
  Sn  Sn3  1  0.0  0.0  0.63  1.0
  Pt  Pt1  1  0.0  0.0  0.41  1.0
  Pt  Pt2  1  0.82  0.82  0.49  1.0
  Au  Au0  1  0.82  0.82  0.28  1.0

data_SnPt2Au
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SnPt2Au
_chemical_formula_sum   'Sn2 Pt4 Au2'
_cell_volume   145.84
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sn  Sn0  2  0.0  0.0  0.63  1.0
  Pt  Pt1  2  0.0  0.0  0.41  1.0
  Pt  Pt2  2  0.32  0.5  0.49  1.0
  Au  Au3  2  0.32  0.5  0.28  1.0

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