data_[Cs4Be8Tl4I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.3781]
_cell_length_b [15.8065]
_cell_length_c [11.2825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsBe2TlI6]
_chemical_formula_sum '[Cs4 Be8 Tl4 I24]'
_cell_volume [2056.0580]
_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  0.0000  0.1701  0.7500  1.0
  Be  Be1  8  0.2485  0.3941  0.7854  1.0
  Tl  Tl2  4  0.0000  0.4315  0.2500  1.0
  I  I3  8  0.0784  0.3918  0.6072  1.0
  I  I4  8  0.1549  0.2300  0.1408  1.0
  I  I5  8  0.1944  0.0199  0.6061  1.0
]