data_[S4I2O16]
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 [C2/m]
_cell_length_a [9.8003]
_cell_length_b [5.8475]
_cell_length_c [6.4437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3904]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [S2IO8]
_chemical_formula_sum '[S4 I2 O16]'
_cell_volume [367.6351]
_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
[
  S  S0  4  0.1995  0.0000  0.7074  1.0
  I  I1  2  0.0000  0.0000  0.0000  1.0
  O  O2  8  0.1249  0.2042  0.8124  1.0
  O  O3  4  0.1569  0.5000  0.2202  1.0
  O  O4  4  0.1636  0.0000  0.4859  1.0
]