data_Sn2PCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.48
_cell_length_b   3.83
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PCl
_chemical_formula_sum   'Sn2 P1 Cl1'
_cell_volume   98.75
_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  Sn2  1  0.21  0.92  0.62  1.0
  Sn  Sn3  1  0.55  0.92  0.79  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.14  0.0  0.71  1.0

data_Sn2PCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.48
_cell_length_b   3.83
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   103.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2PCl
_chemical_formula_sum   'Sn2 P1 Cl1'
_cell_volume   98.75
_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  0.21  0.92  0.62  1.0
  Sn  Sn1  1  0.55  0.92  0.79  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Cl  Cl3  1  0.14  0.0  0.71  1.0

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