data_[Na4Tl8Cd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  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 [4.6385]
_cell_length_b [21.5341]
_cell_length_c [14.9645]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2CdI5]
_chemical_formula_sum '[Na4 Tl8 Cd4 I20]'
_cell_volume [1494.7572]
_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  0.2075  0.0302  1.0
  Tl  Tl1  4  0.0000  0.1349  0.3264  1.0
  Tl  Tl2  4  0.0000  0.1363  0.6769  1.0
  Cd  Cd3  4  0.0000  0.4415  0.4243  1.0
  I  I4  4  0.0000  0.0424  0.0360  1.0
  I  I5  4  0.0000  0.2948  0.6757  1.0
  I  I6  4  0.0000  0.3143  0.3752  1.0
  I  I7  4  0.0000  0.3536  0.0104  1.0
  I  I8  4  0.0000  0.4898  0.7690  1.0
]