data_[Tl4Cd8In4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  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 [C2/c]
_cell_length_a [16.1112]
_cell_length_b [14.4992]
_cell_length_c [8.4940]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.9017]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCd2InI6]
_chemical_formula_sum '[Tl4 Cd8 In4 I24]'
_cell_volume [1926.0838]
_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
[
  Tl  Tl0  4  0.0000  0.1036  0.2500  1.0
  Cd  Cd1  8  0.2069  0.4124  0.2579  1.0
  In  In2  4  0.0000  0.2884  0.7500  1.0
  I  I3  8  0.1126  0.0962  0.6609  1.0
  I  I4  8  0.1386  0.4380  0.5418  1.0
  I  I5  8  0.1412  0.2447  0.1182  1.0
]