data_Sn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.68
_cell_length_b   6.68
_cell_length_c   8.21
_cell_angle_alpha   105.82
_cell_angle_beta   105.82
_cell_angle_gamma   29.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn4 Pb2'
_cell_volume   174.84
_cell_formula_units_Z   2
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  Sn2  1  0.65  0.0  0.34  1.0
  Sn  Sn3  1  0.47  0.0  0.68  1.0
  Sn  Sn4  1  0.11  0.0  0.19  1.0
  Sn  Sn5  1  0.94  0.0  0.54  1.0
  Pb  Pb0  1  0.44  0.0  0.07  1.0
  Pb  Pb1  1  0.15  0.0  0.8  1.0

data_Sn2Pb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.44
_cell_length_b   6.68
_cell_length_c   8.21
_cell_angle_alpha   105.82
_cell_angle_beta   90.0
_cell_angle_gamma   104.93
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn4 Pb2'
_cell_volume   174.84
_cell_formula_units_Z   2
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  0.0  0.14  0.6  1.0
  Sn  Sn1  2  0.0  0.32  0.25  1.0
  Pb  Pb2  2  0.0  0.36  0.87  1.0

Sn Sn Sn Sn Pb Pb
Sn Sn Sn Sn Pb Pb 0 4 o o o 0 3 o o o 0 1 o o o 0 2 o o o 1 3 - o o 1 4 o o + 1 5 o o o 1 1 + - o 2 2 + - o 2 3 - o o 2 4 o o o 2 5 o o - 3 5 + o o 4 5 o o - 