data_[P2H16I2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P4/nbm]
_cell_length_a [8.5025]
_cell_length_b [8.5025]
_cell_length_c [5.2229]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [125]
_chemical_formula_structural [PH8IN4]
_chemical_formula_sum '[P2 H16 I2 N8]'
_cell_volume [377.5778]
_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  0.0000  0.5000  0.5000  1
  H  H1  16  0.0746  0.2820  0.7311  1
  I  I2  2  0.0000  0.0000  0.0000  1
  N  N3  8  0.1210  0.3790  0.6468  1
]