data_Al(PCl)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.04
_cell_length_b   6.04
_cell_length_c   6.04
_cell_angle_alpha   131.58
_cell_angle_beta   131.58
_cell_angle_gamma   70.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al(PCl)2
_chemical_formula_sum   'Al1 P2 Cl2'
_cell_volume   120.88
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.9  1.0
  P  P4  1  0.0  0.0  0.95  1.0
  Cl  Cl1  1  0.0  0.48  0.46  1.0
  Cl  Cl2  1  0.48  0.0  0.46  1.0

data_Al(PCl)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.01
_cell_length_b   7.01
_cell_length_c   6.04
_cell_angle_alpha   90.0
_cell_angle_beta   125.44
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al(PCl)2
_chemical_formula_sum   'Al2 P4 Cl4'
_cell_volume   241.75
_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
  Al  Al0  2  0.0  0.0  0.0  1.0
  P  P1  2  0.0  0.0  0.9  1.0
  P  P2  2  0.0  0.0  0.95  1.0
  Cl  Cl3  4  0.26  0.26  0.98  1.0

Al P P Cl Cl
Al P P Cl Cl 0 2 o o - 0 3 o - - 0 3 o o o 0 4 o o o 0 4 - o - 1 2 o o o 1 3 o - o 1 3 o o + 1 4 o o + 1 4 - o o 2 3 o - o 2 3 o o + 2 4 o o + 2 4 - o o 