data_SiPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.12
_cell_length_c   4.42
_cell_angle_alpha   66.26
_cell_angle_beta   63.28
_cell_angle_gamma   50.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPCl2
_chemical_formula_sum   'Si1 P1 Cl2'
_cell_volume   80.74
_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  Si3  1  0.0  0.0  0.0  1.0
  P  P2  1  0.02  0.23  0.14  1.0
  Cl  Cl0  1  0.0  0.62  0.07  1.0
  Cl  Cl1  1  0.02  0.62  0.07  1.0

data_SiPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   5.12
_cell_angle_alpha   113.74
_cell_angle_beta   113.74
_cell_angle_gamma   93.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPCl2
_chemical_formula_sum   'Si1 P1 Cl2'
_cell_volume   80.74
_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
  P  P1  1  0.14  0.98  0.75  1.0
  Cl  Cl2  1  0.07  0.98  0.36  1.0
  Cl  Cl3  1  0.07  -0.0  0.38  1.0

Si P Cl Cl
Si P Cl Cl 0 3 o - o 0 2 o - o 0 1 o o o 1 3 o o o 1 2 o o o 2 3 o o o 