data_[Tl4Te8Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Te  2.1000  1.4000  1.2933
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.3888]
_cell_length_b [15.7095]
_cell_length_c [5.6519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.8178]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Tl(TeCl3)2]
_chemical_formula_sum '[Tl4 Te8 Cl24]'
_cell_volume [1406.7427]
_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  0.1097  0.2500  1.0
  Te  Te1  8  0.2467  0.1638  0.7788  1.0
  Cl  Cl2  8  0.1159  0.0924  0.8475  1.0
  Cl  Cl3  8  0.1329  0.2578  0.3746  1.0
  Cl  Cl4  8  0.1567  0.4135  0.9121  1.0
]