data_[Cs4K4Tl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7011]
_cell_length_b [6.9796]
_cell_length_c [14.0788]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsKTl5]
_chemical_formula_sum '[Cs4 K4 Tl20]'
_cell_volume [1051.5336]
_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
[
  Cs  Cs0  4  0.2418  0.2500  0.0630  1
  K  K1  4  0.1305  0.7500  0.8599  1
  Tl  Tl2  8  0.0640  0.0056  0.3222  1
  Tl  Tl3  4  0.0647  0.7500  0.1136  1
  Tl  Tl4  4  0.1057  0.2500  0.5295  1
  Tl  Tl5  4  0.1896  0.2500  0.7611  1
]