data_[Na6I2O2]
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 [P2/m]
_cell_length_a [6.8234]
_cell_length_b [4.6196]
_cell_length_c [7.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.8399]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Na3IO]
_chemical_formula_sum '[Na6 I2 O2]'
_cell_volume [223.5032]
_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
[
  Na  Na0  2  0.1452  0.5000  0.7808  1.0
  Na  Na1  2  0.2086  0.0000  0.4946  1.0
  Na  Na2  1  0.0000  0.0000  0.0000  1.0
  Na  Na3  1  0.5000  0.0000  0.0000  1.0
  I  I4  2  0.3598  0.5000  0.2298  1.0
  O  O5  2  0.1325  0.0000  0.7580  1.0
]