data_[P8H24I4]
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
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9621]
_cell_length_b [14.0100]
_cell_length_c [5.9945]
_cell_angle_alpha [90.0000]
_cell_angle_beta [127.2483]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [P2H6I]
_chemical_formula_sum '[P8 H24 I4]'
_cell_volume [599.1375]
_cell_formula_units_Z [4]
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  0.1232  0.3920  0.0197  1
  H  H1  8  0.1988  0.3066  0.9984  1
  H  H2  8  0.2255  0.3826  0.3310  1
  H  H3  8  0.2443  0.9547  0.4601  1
  I  I4  4  0.0000  0.1395  0.2500  1
]