data_[P2I4]
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
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.2043]
_cell_length_b [7.5663]
_cell_length_c [7.7399]
_cell_angle_alpha [80.2038]
_cell_angle_beta [77.9452]
_cell_angle_gamma [73.5308]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PI2]
_chemical_formula_sum '[P2 I4]'
_cell_volume [283.8210]
_cell_formula_units_Z [2]
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  0.4161  0.0329  0.8721  1.0
  I  I1  2  0.2014  0.1922  0.2900  1.0
  I  I2  2  0.4431  0.6721  0.2209  1.0
]