data_SiPCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78
_cell_length_b   7.78
_cell_length_c   3.47
_cell_angle_alpha   91.4
_cell_angle_beta   91.4
_cell_angle_gamma   25.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPCl2
_chemical_formula_sum   'Si1 P1 Cl2'
_cell_volume   90.56
_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  0.55  0.0  0.74  1.0
  Cl  Cl0  1  0.41  0.0  0.86  1.0
  Cl  Cl1  1  0.69  0.0  0.62  1.0

data_SiPCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   3.47
_cell_length_c   7.78
_cell_angle_alpha   91.4
_cell_angle_beta   102.75
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiPCl2
_chemical_formula_sum   'Si1 P1 Cl2'
_cell_volume   90.56
_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  0.0  0.74  0.55  1.0
  Cl  Cl2  1  0.0  0.62  0.69  1.0
  Cl  Cl3  1  0.0  0.86  0.41  1.0

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