data_PCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PCl3
_chemical_formula_sum   'P1 Cl3'
_cell_volume   77.36
_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
  P  P3  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.0  0.21  0.98  1.0
  Cl  Cl1  1  0.21  0.21  0.0  1.0
  Cl  Cl2  1  0.21  0.0  0.98  1.0

data_PCl3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.26
_cell_length_b   6.26
_cell_length_c   3.95
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   PCl3
_chemical_formula_sum   'P2 Cl6'
_cell_volume   154.72
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  P  P0  2  0.0  0.0  0.0  1.0
  Cl  Cl1  4  0.11  0.11  0.98  1.0
  Cl  Cl2  2  0.21  0.0  0.0  1.0

P Cl Cl Cl
P Cl Cl Cl 0 3 o o - 0 1 o o - 1 2 o o + 2 3 o o - 
PCl3 is alpha Po structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two PCl3 clusters. P(1) is bonded in an L-shaped geometry to two equivalent Cl(1) atoms. Both P(1)-Cl(1) bond lengths are 0.94 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a distorted single-bond geometry to one P(1) and one Cl(2) atom. The Cl(1)-Cl(2) bond length is 0.94 Å. In the second Cl site, Cl(2) is bonded in an L-shaped geometry to two equivalent Cl(1) atoms.