data_[Li4Tl4Cd8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [C2/c]
_cell_length_a [15.6572]
_cell_length_b [14.8169]
_cell_length_c [8.5284]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.4401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTl(CdI3)2]
_chemical_formula_sum '[Li4 Tl4 Cd8 I24]'
_cell_volume [1853.9423]
_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
[
  Li  Li0  4  0.0000  0.2027  0.7500  1.0
  Tl  Tl1  4  0.0000  0.1258  0.2500  1.0
  Cd  Cd2  8  0.1906  0.4234  0.2013  1.0
  I  I3  8  0.1152  0.0712  0.6715  1.0
  I  I4  8  0.1260  0.2532  0.0603  1.0
  I  I5  8  0.1270  0.4276  0.4815  1.0
]