data_[Na8Li4Cd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4465]
_cell_length_b [23.4672]
_cell_length_c [14.6362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2LiCdI5]
_chemical_formula_sum '[Na8 Li4 Cd4 I20]'
_cell_volume [1527.2537]
_cell_formula_units_Z [4]
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  0.1486  0.3497  1
  Na  Na1  4  0.0000  0.1743  0.6531  1
  Li  Li2  4  0.0000  0.1939  0.0725  1
  Cd  Cd3  4  0.0000  0.4417  0.4083  1
  I  I4  4  0.0000  0.0699  0.0338  1
  I  I5  4  0.0000  0.3050  0.9982  1
  I  I6  4  0.0000  0.3060  0.6888  1
  I  I7  4  0.0000  0.3412  0.3051  1
  I  I8  4  0.0000  0.4563  0.8145  1
]