data_[Na4Cd4In8I20]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6193]
_cell_length_b [21.4572]
_cell_length_c [15.0369]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaCdIn2I5]
_chemical_formula_sum '[Na4 Cd4 In8 I20]'
_cell_volume [1490.4308]
_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  0.2031  0.0290  1.0
  Cd  Cd1  4  0.0000  0.4440  0.4222  1.0
  In  In2  4  0.0000  0.1386  0.3292  1.0
  In  In3  4  0.0000  0.1392  0.6733  1.0
  I  I4  4  0.0000  0.0408  0.0358  1.0
  I  I5  4  0.0000  0.2938  0.6762  1.0
  I  I6  4  0.0000  0.3157  0.3745  1.0
  I  I7  4  0.0000  0.3509  0.0123  1.0
  I  I8  4  0.0000  0.4820  0.7714  1.0
]