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_1/m]
_cell_length_a [4.5953]
_cell_length_b [4.6844]
_cell_length_c [11.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7124]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na3IO]
_chemical_formula_sum '[Na6 I2 O2]'
_cell_volume [233.8424]
_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  0.0481  0.7500  0.5909  1.0
  Na  Na1  2  0.1732  0.2500  0.8375  1.0
  Na  Na2  2  0.4215  0.7500  0.3540  1.0
  I  I3  2  0.3189  0.2500  0.1455  1.0
  O  O4  2  0.0692  0.2500  0.6257  1.0
]