data_Sn2Pb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.57
_cell_length_b   9.57
_cell_length_c   3.34
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn6 Pb3'
_cell_volume   265.33
_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  Sn3  1  0.97  0.0  0.67  1.0
  Sn  Sn4  1  0.52  0.57  0.67  1.0
  Sn  Sn5  1  0.3  0.72  0.67  1.0
  Sn  Sn6  1  0.11  0.0  0.0  1.0
  Sn  Sn7  1  0.95  0.29  0.0  1.0
  Sn  Sn8  1  0.73  0.0  0.0  1.0
  Pb  Pb0  1  0.0  0.53  0.67  1.0
  Pb  Pb1  1  0.79  0.76  0.67  1.0
  Pb  Pb2  1  0.0  0.0  0.0  1.0

data_Sn2Pb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.34
_cell_length_b   9.57
_cell_length_c   9.57
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Pb
_chemical_formula_sum   'Sn6 Pb3'
_cell_volume   265.33
_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  -0.0  0.95  0.29  1.0
  Sn  Sn1  1  -0.0  0.73  0.0  1.0
  Sn  Sn2  1  -0.0  0.11  0.0  1.0
  Sn  Sn3  1  0.67  0.3  0.72  1.0
  Sn  Sn4  1  0.67  0.52  0.57  1.0
  Sn  Sn5  1  0.67  0.97  0.0  1.0
  Pb  Pb6  1  0.0  0.0  0.0  1.0
  Pb  Pb7  1  0.67  -0.0  0.53  1.0
  Pb  Pb8  1  0.67  0.79  0.76  1.0

Sn Sn Sn Sn Sn Sn Pb Pb Pb