data_SnPPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.14
_cell_angle_alpha   134.58
_cell_angle_beta   134.58
_cell_angle_gamma   66.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPPt2
_chemical_formula_sum   'Sn1 P1 Pt2'
_cell_volume   67.97
_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  0.99  0.15  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.99  0.0  0.15  1.0
  Pt  Pt2  1  0.0  0.0  0.31  1.0

data_SnPPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.97
_cell_length_b   3.97
_cell_length_c   5.14
_cell_angle_alpha   112.71
_cell_angle_beta   112.71
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPPt2
_chemical_formula_sum   'Sn1 P1 Pt2'
_cell_volume   67.97
_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  Sn0  1  0.83  0.99  0.83  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Pt  Pt2  1  0.69  0.0  0.69  1.0
  Pt  Pt3  1  0.85  0.0  0.83  1.0

Sn P Pt Pt
Sn P Pt Pt 0 2 - + o 0 1 o + o 0 3 o + o 1 2 - o o 2 3 + o o 