data_[Cs8Tl4Ge4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7833]
_cell_length_b [21.4746]
_cell_length_c [17.7163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2TlGeI5]
_chemical_formula_sum '[Cs8 Tl4 Ge4 I20]'
_cell_volume [1819.7907]
_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  0.0842  0.6478  1.0
  Cs  Cs1  4  0.0000  0.1436  0.2970  1.0
  Tl  Tl2  4  0.0000  0.4611  0.4537  1.0
  Ge  Ge3  4  0.0000  0.2239  0.0293  1.0
  I  I4  4  0.0000  0.0890  0.0756  1.0
  I  I5  4  0.0000  0.2599  0.6449  1.0
  I  I6  4  0.0000  0.3008  0.4197  1.0
  I  I7  4  0.0000  0.3619  0.9846  1.0
  I  I8  4  0.0000  0.4955  0.7714  1.0
]