data_[P8Cl16]
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 [I4_1/amd]
_cell_length_a [4.1016]
_cell_length_b [4.1016]
_cell_length_c [35.8556]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [141]
_chemical_formula_structural [PCl2]
_chemical_formula_sum '[P8 Cl16]'
_cell_volume [603.2133]
_cell_formula_units_Z [8]
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  8  0.0000  0.0000  0.0395  1
  Cl  Cl1  8  0.0000  0.0000  0.2501  1
  Cl  Cl2  8  0.0000  0.0000  0.4271  1
]