data_SnPb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45
_cell_length_b   5.68
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb
_chemical_formula_sum   'Sn2 Pb2'
_cell_volume   119.25
_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  0.0  0.0  0.47  1.0
  Sn  Sn3  1  0.72  0.84  0.62  1.0
  Pb  Pb0  1  0.72  0.0  0.6  1.0
  Pb  Pb1  1  0.0  0.84  0.49  1.0

data_SnPb
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.45
_cell_length_b   5.68
_cell_length_c   6.09
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   SnPb
_chemical_formula_sum   'Sn2 Pb2'
_cell_volume   119.25
_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  0.36  0.42  0.58  1.0
  Pb  Pb1  2  0.36  0.58  0.55  1.0

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