data_[Na6Cd4S4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.6295]
_cell_length_b [4.6295]
_cell_length_c [29.2933]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Na3Cd2S2I3]
_chemical_formula_sum '[Na6 Cd4 S4 I6]'
_cell_volume [627.8282]
_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  4  0.0000  0.0000  0.1081  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Cd  Cd2  4  0.0000  0.5000  0.2500  1.0
  S  S3  4  0.0000  0.0000  0.2075  1.0
  I  I4  4  0.0000  0.0000  0.3868  1.0
  I  I5  2  0.0000  0.0000  0.0000  1.0
]