data_SnPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.86
_cell_length_b   4.43
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPPt
_chemical_formula_sum   'Sn4 P4 Pt4'
_cell_volume   249.27
_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  0.72  0.11  0.06  1.0
  Sn  Sn9  1  0.71  0.32  0.17  1.0
  Sn  Sn10  1  0.14  0.32  0.14  1.0
  Sn  Sn11  1  0.15  0.11  0.04  1.0
  P  P0  1  0.26  0.11  0.93  1.0
  P  P1  1  0.03  0.32  0.82  1.0
  P  P2  1  0.6  0.32  0.28  1.0
  P  P3  1  0.83  0.11  0.39  1.0
  Pt  Pt4  1  0.5  0.11  0.74  1.0
  Pt  Pt5  1  0.93  0.32  0.84  1.0
  Pt  Pt6  1  0.36  0.32  0.47  1.0
  Pt  Pt7  1  0.93  0.11  0.36  1.0

data_SnPPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.43
_cell_length_b   6.86
_cell_length_c   8.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnPPt
_chemical_formula_sum   'Sn4 P4 Pt4'
_cell_volume   249.27
_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  0.79  0.46  1.0
  Sn  Sn1  2  0.39  0.22  0.44  1.0
  P  P2  2  0.39  0.33  0.32  1.0
  P  P3  2  0.39  0.9  0.78  1.0
  Pt  Pt4  2  0.39  0.57  0.14  1.0
  Pt  Pt5  2  0.39  1.0  0.76  1.0

Sn Sn Sn Sn P P P P Pt Pt Pt Pt
Sn Sn Sn Sn P P P P Pt Pt Pt Pt 0 1 o o o 1 6 o o o 2 3 o o o 3 4 o o - 4 8 o o o 5 9 - o o 6 10 o o o 7 11 o o o 8 10 o o o 