data_[Na4I8O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [14.2069]
_cell_length_b [6.8079]
_cell_length_c [6.9570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3787]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Na(IO2)2]
_chemical_formula_sum '[Na4 I8 O16]'
_cell_volume [622.1979]
_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
[
  Na  Na0  4  0.1005  0.1289  0.3076  1
  I  I1  4  0.2439  0.8650  0.0181  1
  I  I2  2  0.0000  0.5861  0.5000  1
  I  I3  2  0.0000  0.6703  0.0000  1
  O  O4  4  0.0078  0.8455  0.2052  1
  O  O5  4  0.0146  0.4111  0.2978  1
  O  O6  4  0.1666  0.6663  0.1064  1
  O  O7  4  0.2212  0.0835  0.1697  1
]