data_[P1I3Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.2573]
_cell_length_b [7.9890]
_cell_length_c [8.2101]
_cell_angle_alpha [97.0058]
_cell_angle_beta [91.8609]
_cell_angle_gamma [100.8227]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PI3Cl8]
_chemical_formula_sum '[P1 I3 Cl8]'
_cell_volume [463.3019]
_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  0.0000  0.5000  0.5000  1.0
  I  I1  2  0.3204  0.2519  0.1610  1.0
  I  I2  1  0.0000  0.0000  0.0000  1.0
  Cl  Cl3  2  0.1037  0.5241  0.7488  1.0
  Cl  Cl4  2  0.1244  0.2593  0.4469  1.0
  Cl  Cl5  2  0.2553  0.6574  0.4422  1.0
  Cl  Cl6  2  0.4935  0.7562  0.0745  1.0
]