data_[P4I5Cl2]
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 [4.0498]
_cell_length_b [7.3770]
_cell_length_c [15.9754]
_cell_angle_alpha [96.7907]
_cell_angle_beta [93.7327]
_cell_angle_gamma [96.5055]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [P4I5Cl2]
_chemical_formula_sum '[P4 I5 Cl2]'
_cell_volume [469.3818]
_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  2  0.2018  0.5057  0.3413  1
  P  P1  2  0.3008  0.4343  0.7188  1
  I  I2  2  0.2849  0.7620  0.4569  1
  I  I3  2  0.3850  0.6722  0.8440  1
  I  I4  1  0.5000  0.0000  0.0000  1
  Cl  Cl5  2  0.2580  0.1782  0.7556  1
]