data_SnPb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb2Cl
_chemical_formula_sum   'Sn1 Pb2 Cl1'
_cell_volume   116.27
_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
  Sn  Sn3  1  0.0  0.0  0.47  1.0
  Pb  Pb1  1  0.36  0.0  0.2  1.0
  Pb  Pb2  1  0.36  0.0  0.74  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_SnPb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   3.63
_cell_length_c   8.94
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   98.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SnPb2Cl
_chemical_formula_sum   'Sn1 Pb2 Cl1'
_cell_volume   116.27
_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
  Sn  Sn0  1  0.0  0.0  0.47  1.0
  Pb  Pb1  1  0.36  0.0  0.2  1.0
  Pb  Pb2  1  0.36  0.0  0.74  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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