data_[Tl4Pb8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [6.5107]
_cell_length_b [15.5822]
_cell_length_c [16.3706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TlPb2I5]
_chemical_formula_sum '[Tl4 Pb8 I20]'
_cell_volume [1660.8252]
_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  0.2271  0.2500  1
  Pb  Pb1  8  0.0000  0.1401  0.5535  1
  I  I2  8  0.0000  0.0504  0.1194  1
  I  I3  8  0.0000  0.3291  0.0495  1
  I  I4  4  0.0000  0.2041  0.7500  1
]