data_PCl3O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.9
_cell_length_b   6.07
_cell_length_c   9.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PCl3O
_chemical_formula_sum   'P4 Cl12 O4'
_cell_volume   590.0
_cell_formula_units_Z   4
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  0.11  0.3  0.43  1.0
  P  P1  1  0.79  0.77  0.53  1.0
  P  P2  1  0.16  0.8  0.43  1.0
  P  P3  1  0.74  0.27  0.53  1.0
  Cl  Cl4  1  0.37  0.07  0.1  1.0
  Cl  Cl5  1  0.53  1.0  0.01  1.0
  Cl  Cl6  1  0.42  0.96  0.1  1.0
  Cl  Cl7  1  0.48  0.11  0.01  1.0
  Cl  Cl8  1  0.67  0.5  0.4  1.0
  Cl  Cl9  1  0.24  0.57  0.49  1.0
  Cl  Cl10  1  0.72  0.54  0.4  1.0
  Cl  Cl11  1  0.19  0.53  0.49  1.0
  Cl  Cl12  1  0.38  0.13  0.83  1.0
  Cl  Cl13  1  0.52  0.95  0.92  1.0
  Cl  Cl14  1  0.43  0.98  0.83  1.0
  Cl  Cl15  1  0.47  0.09  0.92  1.0
  O  O16  1  0.8  0.96  0.48  1.0
  O  O17  1  0.11  0.11  0.57  1.0
  O  O18  1  0.84  0.14  0.48  1.0
  O  O19  1  0.06  0.93  0.57  1.0

data_PCl3O
_symmetry_space_group_name_H-M   P1
_cell_length_a   6.07
_cell_length_b   9.81
_cell_length_c   9.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PCl3O
_chemical_formula_sum   'P4 Cl12 O4'
_cell_volume   590.0
_cell_formula_units_Z   4
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  0.27  0.53  0.74  1.0
  P  P1  1  0.3  0.43  0.11  1.0
  P  P2  1  0.77  0.53  0.79  1.0
  P  P3  1  0.8  0.43  0.16  1.0
  Cl  Cl4  1  0.07  0.1  0.37  1.0
  Cl  Cl5  1  0.09  0.92  0.47  1.0
  Cl  Cl6  1  0.11  0.01  0.48  1.0
  Cl  Cl7  1  0.13  0.83  0.38  1.0
  Cl  Cl8  1  0.5  0.4  0.67  1.0
  Cl  Cl9  1  0.53  0.49  0.19  1.0
  Cl  Cl10  1  0.54  0.4  0.72  1.0
  Cl  Cl11  1  0.57  0.49  0.24  1.0
  Cl  Cl12  1  0.95  0.92  0.52  1.0
  Cl  Cl13  1  0.96  0.1  0.42  1.0
  Cl  Cl14  1  0.98  0.83  0.43  1.0
  Cl  Cl15  1  1.0  0.01  0.53  1.0
  O  O16  1  0.11  0.57  0.11  1.0
  O  O17  1  0.14  0.48  0.84  1.0
  O  O18  1  0.93  0.57  0.06  1.0
  O  O19  1  0.96  0.48  0.8  1.0

P P P P Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl Cl O O O O