data_[P16H16Pt4I4O40]
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
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [9.7314]
_cell_length_b [9.7314]
_cell_length_c [16.1862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [87]
_chemical_formula_structural [P4H4PtIO10]
_chemical_formula_sum '[P16 H16 Pt4 I4 O40]'
_cell_volume [1532.8486]
_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  16  0.0146  0.7486  0.0915  1
  H  H1  16  0.2220  0.7645  0.1384  1
  Pt  Pt2  4  0.0000  0.0000  0.0884  1
  I  I3  4  0.0000  0.0000  0.2525  1
  O  O4  16  0.1196  0.3151  0.1163  1
  O  O5  16  0.1374  0.7009  0.1464  1
  O  O6  8  0.0625  0.6992  0.0000  1
]