data_[Na2Hf2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8958]
_cell_length_b [4.8958]
_cell_length_c [9.4747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [NaHfIO6]
_chemical_formula_sum '[Na2 Hf2 I2 O12]'
_cell_volume [227.0998]
_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  0.0000  0.0000  0.0000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.6733  1.0
  I  I2  2  0.0000  0.0000  0.3322  1.0
  O  O3  4  0.1752  0.8248  0.4874  1.0
  O  O4  4  0.1985  0.8015  0.1937  1.0
  O  O5  4  0.2257  0.7743  0.8161  1.0
]