data_[P4H14I4]
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/m]
_cell_length_a [11.6666]
_cell_length_b [6.5692]
_cell_length_c [5.9590]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.2365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [P2H7I2]
_chemical_formula_sum '[P4 H14 I4]'
_cell_volume [431.2071]
_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  4  0.1561  0.0000  0.5943  1
  H  H1  8  0.2164  0.1643  0.7397  1
  H  H2  4  0.2155  0.0000  0.4221  1
  H  H3  2  0.0000  0.0000  0.5000  1
  I  I4  4  0.0000  0.2514  0.0000  1
]