data_[Tl4Cu8Te4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.8472]
_cell_length_b [13.9774]
_cell_length_c [7.6956]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.6924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TlCu2TeI6]
_chemical_formula_sum '[Tl4 Cu8 Te4 I24]'
_cell_volume [1574.2451]
_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  0.0808  0.7500  1.0
  Cu  Cu1  8  0.1860  0.4266  0.7816  1.0
  Te  Te2  4  0.0000  0.2875  0.2500  1.0
  I  I3  8  0.1172  0.2760  0.6007  1.0
  I  I4  8  0.1398  0.1106  0.1574  1.0
  I  I5  8  0.1517  0.4169  0.1036  1.0
]