data_[Na3Cr6I3O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cr  1.6600  1.4000  0.9400
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [6.4254]
_cell_length_b [6.4254]
_cell_length_c [9.3630]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [180]
_chemical_formula_structural [NaCr2IO2]
_chemical_formula_sum '[Na3 Cr6 I3 O6]'
_cell_volume [334.7743]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.1667  1
  Cr  Cr1  6  0.0000  0.5000  0.3414  1
  I  I2  3  0.0000  0.5000  0.6667  1
  O  O3  6  0.1579  0.3158  0.0000  1
]