data_P3Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.0
_cell_length_b   4.0
_cell_length_c   6.7
_cell_angle_alpha   112.39
_cell_angle_beta   112.39
_cell_angle_gamma   50.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Cl
_chemical_formula_sum   'P3 Cl1'
_cell_volume   74.63
_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  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.05  0.0  0.97  1.0
  P  P3  1  0.39  0.0  0.11  1.0
  Cl  Cl0  1  0.22  0.0  0.04  1.0

data_P3Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   4.0
_cell_length_c   6.36
_cell_angle_alpha   76.82
_cell_angle_beta   74.55
_cell_angle_gamma   64.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   P3Cl
_chemical_formula_sum   'P3 Cl1'
_cell_volume   74.63
_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  P0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.0  0.08  0.97  1.0
  P  P2  1  0.0  0.28  0.11  1.0
  Cl  Cl3  1  0.0  0.18  0.04  1.0

P P P Cl