data_[Rb8Tl8I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [24.5115]
_cell_length_b [9.0603]
_cell_length_c [8.6786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Rb2Tl2I5]
_chemical_formula_sum '[Rb8 Tl8 I20]'
_cell_volume [1927.3392]
_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
[
  Rb  Rb0  8  0.1048  0.5291  0.9947  1
  Tl  Tl1  4  0.0000  0.0000  0.0280  1
  Tl  Tl2  4  0.2500  0.0625  0.9437  1
  I  I3  8  0.0185  0.2421  0.7720  1
  I  I4  8  0.1287  0.5695  0.5510  1
  I  I5  4  0.2500  0.0878  0.5570  1
]