data_[Rb4Tl20I28]
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 [Cmcm]
_cell_length_a [4.9867]
_cell_length_b [16.1999]
_cell_length_c [29.1183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbTl5I7]
_chemical_formula_sum '[Rb4 Tl20 I28]'
_cell_volume [2352.3107]
_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  4  0.0000  0.3086  0.2500  1
  Tl  Tl1  8  0.0000  0.0506  0.1467  1
  Tl  Tl2  8  0.0000  0.2190  0.5751  1
  Tl  Tl3  4  0.0000  0.5000  0.0000  1
  I  I4  8  0.0000  0.1388  0.0375  1
  I  I5  8  0.0000  0.3142  0.6770  1
  I  I6  8  0.0000  0.4125  0.1119  1
  I  I7  4  0.0000  0.0215  0.7500  1
]