data_SiPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   6.26
_cell_angle_alpha   94.51
_cell_angle_beta   94.51
_cell_angle_gamma   41.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPCl2
_chemical_formula_sum   'Si1 P1 Cl2'
_cell_volume   108.28
_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  0.14  0.0  0.59  1.0
  P  P2  1  0.42  0.0  0.25  1.0
  Cl  Cl0  1  0.95  0.0  0.8  1.0
  Cl  Cl1  1  0.03  0.0  0.96  1.0

data_SiPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   5.11
_cell_length_c   6.26
_cell_angle_alpha   94.51
_cell_angle_beta   90.0
_cell_angle_gamma   110.85
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPCl2
_chemical_formula_sum   'Si1 P1 Cl2'
_cell_volume   108.28
_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  0.86  0.41  1.0
  P  P1  1  0.0  0.58  0.75  1.0
  Cl  Cl2  1  0.0  0.05  0.2  1.0
  Cl  Cl3  1  0.0  0.97  0.04  1.0

Si P Cl Cl