data_SnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   4.86
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb2
_chemical_formula_sum   'Sn4 Pb8'
_cell_volume   365.43
_cell_formula_units_Z   4
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  Sn8  1  0.83  0.21  0.8  1.0
  Sn  Sn9  1  0.7  0.64  0.47  1.0
  Sn  Sn10  1  0.36  0.21  0.19  1.0
  Sn  Sn11  1  0.22  0.64  0.86  1.0
  Pb  Pb0  1  0.4  0.21  0.66  1.0
  Pb  Pb1  1  0.19  0.64  0.99  1.0
  Pb  Pb2  1  0.87  0.21  0.67  1.0
  Pb  Pb3  1  0.66  0.64  0.0  1.0
  Pb  Pb4  1  0.47  0.21  0.8  1.0
  Pb  Pb5  1  0.11  0.64  0.47  1.0
  Pb  Pb6  1  0.94  0.21  0.19  1.0
  Pb  Pb7  1  0.59  0.64  0.86  1.0

data_SnPb2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.86
_cell_length_b   7.06
_cell_length_c   10.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnPb2
_chemical_formula_sum   'Sn4 Pb8'
_cell_volume   365.43
_cell_formula_units_Z   4
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  0.29  0.3  0.97  1.0
  Sn  Sn1  2  0.29  0.83  0.36  1.0
  Pb  Pb2  2  0.29  0.34  0.84  1.0
  Pb  Pb3  2  0.29  0.41  0.36  1.0
  Pb  Pb4  2  0.29  0.87  0.83  1.0
  Pb  Pb5  2  0.29  0.94  0.97  1.0

Sn Sn Sn Sn Pb Pb Pb Pb Pb Pb Pb Pb