data_SnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   4.43
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPt2
_chemical_formula_sum   'Sn4 Pt8'
_cell_volume   210.03
_cell_formula_units_Z   4
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  Sn8  1  0.16  0.11  0.41  1.0
  Sn  Sn9  1  0.7  0.32  0.25  1.0
  Sn  Sn10  1  0.01  0.11  0.05  1.0
  Sn  Sn11  1  0.55  0.32  0.9  1.0
  Pt  Pt0  1  0.24  0.11  0.73  1.0
  Pt  Pt1  1  0.0  0.11  0.69  1.0
  Pt  Pt2  1  0.85  0.32  0.53  1.0
  Pt  Pt3  1  0.62  0.32  0.88  1.0
  Pt  Pt4  1  0.09  0.11  0.43  1.0
  Pt  Pt5  1  0.86  0.11  0.78  1.0
  Pt  Pt6  1  0.7  0.32  0.62  1.0
  Pt  Pt7  1  0.47  0.32  0.58  1.0

data_SnPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.43
_cell_length_b   5.71
_cell_length_c   8.31
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnPt2
_chemical_formula_sum   'Sn4 Pt8'
_cell_volume   210.03
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Sn0  2  0.39  0.16  0.4  1.0
  Sn  Sn1  2  0.39  0.3  0.75  1.0
  Pt  Pt2  2  0.39  0.0  0.12  1.0
  Pt  Pt3  2  0.39  0.15  0.03  1.0
  Pt  Pt4  2  0.39  0.24  0.77  1.0
  Pt  Pt5  2  0.39  0.38  0.07  1.0

Sn Sn Sn Sn Pt Pt Pt Pt Pt Pt Pt Pt