data_[Tl10Sb4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Sb  2.0500  1.4500  0.8300
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1868]
_cell_length_b [8.8485]
_cell_length_c [11.0564]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tl5(SbI6)2]
_chemical_formula_sum '[Tl10 Sb4 I24]'
_cell_volume [1759.4976]
_cell_formula_units_Z [2]
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  0.1840  0.5000  0.8275  1.0
  Tl  Tl1  4  0.2226  0.5000  0.3723  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  Sb  Sb3  4  0.0000  0.2543  0.0000  1.0
  I  I4  8  0.1280  0.2541  0.5575  1.0
  I  I5  8  0.1670  0.2597  0.0881  1.0
  I  I6  4  0.0072  0.0000  0.1941  1.0
  I  I7  4  0.0098  0.5000  0.2034  1.0
]