data_[Na2Cu2I2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.1897]
_cell_length_b [8.7392]
_cell_length_c [5.2724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.7466]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaCuIO6]
_chemical_formula_sum '[Na2 Cu2 I2 O12]'
_cell_volume [239.1067]
_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  0.0032  0.5000  1.0
  Cu  Cu1  2  0.0000  0.3350  0.0000  1.0
  I  I2  2  0.0000  0.6703  0.0000  1.0
  O  O3  4  0.1188  0.5017  0.2046  1.0
  O  O4  4  0.1727  0.8085  0.2164  1.0
  O  O5  4  0.1917  0.1856  0.1959  1.0
]