data_SnPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.67
_cell_length_b   7.67
_cell_length_c   3.39
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPPt
_chemical_formula_sum   'Sn3 P3 Pt3'
_cell_volume   172.86
_cell_formula_units_Z   3
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  Sn6  1  0.13  0.0  0.69  1.0
  Sn  Sn7  1  0.94  0.84  0.69  1.0
  Sn  Sn8  1  0.77  0.8  0.69  1.0
  P  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.84  0.22  0.69  1.0
  P  P2  1  0.0  0.43  0.69  1.0
  Pt  Pt3  1  0.37  0.0  0.0  1.0
  Pt  Pt4  1  0.82  0.78  0.0  1.0
  Pt  Pt5  1  0.65  0.87  0.0  1.0

data_SnPPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   7.67
_cell_length_c   7.67
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPPt
_chemical_formula_sum   'Sn3 P3 Pt3'
_cell_volume   172.86
_cell_formula_units_Z   3
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  0.69  0.13  0.0  1.0
  Sn  Sn1  1  0.69  0.77  0.8  1.0
  Sn  Sn2  1  0.69  0.94  0.84  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  P  P4  1  0.69  -0.0  0.43  1.0
  P  P5  1  0.69  0.84  0.22  1.0
  Pt  Pt6  1  0.0  0.37  0.0  1.0
  Pt  Pt7  1  0.0  0.65  0.87  1.0
  Pt  Pt8  1  0.0  0.82  0.78  1.0

Sn Sn Sn P P P Pt Pt Pt
Sn Sn Sn P P P Pt Pt Pt 0 1 - - o 0 3 o o + 0 6 o o + 1 7 o o + 1 2 o o o 1 3 + + + 2 7 o o + 2 8 o o + 3 7 - - o 4 5 + o o 7 8 o o o 