data_SiSnPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42
_cell_length_b   4.51
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSnPb2
_chemical_formula_sum   'Si1 Sn1 Pb2'
_cell_volume   108.02
_cell_formula_units_Z   1
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
  Si  Si2  1  0.0  0.0  0.0  1.0
  Sn  Sn3  1  0.0  0.0  0.51  1.0
  Pb  Pb0  1  0.71  0.25  0.39  1.0
  Pb  Pb1  1  0.71  0.25  0.63  1.0

data_SiSnPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.42
_cell_length_b   4.51
_cell_length_c   7.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiSnPb2
_chemical_formula_sum   'Si1 Sn1 Pb2'
_cell_volume   108.02
_cell_formula_units_Z   1
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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.0  0.0  0.51  1.0
  Pb  Pb2  1  0.71  0.25  0.39  1.0
  Pb  Pb3  1  0.71  0.25  0.63  1.0

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