data_[P1Cl11]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.3734]
_cell_length_b [7.5616]
_cell_length_c [7.9765]
_cell_angle_alpha [87.9892]
_cell_angle_beta [64.1282]
_cell_angle_gamma [88.0859]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PCl11]
_chemical_formula_sum '[P1 Cl11]'
_cell_volume [399.8242]
_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  0.5000  0.5000  0.5000  1.0
  Cl  Cl1  2  0.1102  0.0505  0.2210  1.0
  Cl  Cl2  2  0.1814  0.5120  0.6066  1.0
  Cl  Cl3  2  0.3140  0.8272  0.2184  1.0
  Cl  Cl4  2  0.4603  0.4055  0.7908  1.0
  Cl  Cl5  2  0.4985  0.7643  0.5812  1.0
  Cl  Cl6  1  0.0000  0.0000  0.0000  1.0
]