data_SnPPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.97
_cell_length_b   7.97
_cell_length_c   6.78
_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   'Sn6 P6 Pt6'
_cell_volume   373.55
_cell_formula_units_Z   6
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  Sn12  1  0.8  0.0  0.0  1.0
  Sn  Sn13  1  0.1  0.02  0.0  1.0
  Sn  Sn14  1  0.09  0.88  0.0  1.0
  Sn  Sn15  1  0.8  0.0  0.39  1.0
  Sn  Sn16  1  0.1  0.02  0.39  1.0
  Sn  Sn17  1  0.09  0.88  0.39  1.0
  P  P0  1  0.0  0.6  0.29  1.0
  P  P1  1  0.0  0.6  0.1  1.0
  P  P2  1  0.99  0.3  0.5  1.0
  P  P3  1  0.99  0.3  0.68  1.0
  P  P4  1  0.0  0.0  0.7  1.0
  P  P5  1  0.0  0.0  0.09  1.0
  Pt  Pt6  1  0.41  0.44  0.7  1.0
  Pt  Pt7  1  0.7  0.17  0.7  1.0
  Pt  Pt8  1  0.89  0.19  0.7  1.0
  Pt  Pt9  1  0.87  0.71  0.09  1.0
  Pt  Pt10  1  0.4  0.46  0.09  1.0
  Pt  Pt11  1  0.69  0.73  0.09  1.0

data_SnPPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.78
_cell_length_b   7.97
_cell_length_c   7.97
_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   'Sn6 P6 Pt6'
_cell_volume   373.55
_cell_formula_units_Z   6
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  0.0  0.8  0.0  1.0
  Sn  Sn1  1  0.0  0.1  0.02  1.0
  Sn  Sn2  1  0.0  0.09  0.88  1.0
  Sn  Sn3  1  0.39  0.09  0.88  1.0
  Sn  Sn4  1  0.39  0.1  0.02  1.0
  Sn  Sn5  1  0.39  0.8  0.0  1.0
  P  P6  1  0.09  0.0  0.0  1.0
  P  P7  1  0.1  -0.0  0.6  1.0
  P  P8  1  0.29  -0.0  0.6  1.0
  P  P9  1  0.5  0.99  0.3  1.0
  P  P10  1  0.68  0.99  0.3  1.0
  P  P11  1  0.7  0.0  0.0  1.0
  Pt  Pt12  1  0.09  0.4  0.46  1.0
  Pt  Pt13  1  0.09  0.69  0.73  1.0
  Pt  Pt14  1  0.09  0.87  0.71  1.0
  Pt  Pt15  1  0.7  0.41  0.44  1.0
  Pt  Pt16  1  0.7  0.7  0.17  1.0
  Pt  Pt17  1  0.7  0.89  0.19  1.0

Sn Sn Sn Sn Sn Sn P P P P P P Pt Pt Pt Pt Pt Pt
Sn Sn Sn Sn Sn Sn P P P P P P Pt Pt Pt Pt Pt Pt 0 17 o - o 0 11 + o o 0 3 o o o 0 10 + o - 1 11 o o o 1 2 o - o 1 10 o o - 2 10 o + - 2 15 - o o 3 14 o o o 3 13 o o o 3 17 o - o 3 5 + - o 3 11 + o o 3 10 + o o 3 4 + o o 3 9 o o o 3 8 o o o 4 5 o - o 4 10 o o o 5 10 o + o 6 7 o o o 7 15 - o o 8 9 o o o 8 12 + o o 9 14 o o o 9 10 + o o 9 12 + o o 10 14 - o o 10 11 o o + 10 12 o o o 12 16 o o + 12 17 o o + 13 14 o o o 15 17 o o o 16 17 o o o 