data_[S4I4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [8.2904]
_cell_length_b [6.5286]
_cell_length_c [8.3926]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [SIO5]
_chemical_formula_sum '[S4 I4 O20]'
_cell_volume [454.2462]
_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
[
  S  S0  4  0.0836  0.7500  0.3305  1
  I  I1  4  0.0897  0.2500  0.2238  1
  O  O2  8  0.0736  0.5723  0.2067  1
  O  O3  4  0.0601  0.2500  0.5696  1
  O  O4  4  0.2016  0.7500  0.7942  1
  O  O5  4  0.2359  0.7500  0.4132  1
]