data_[K4Tl8Ge4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  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 [4.6080]
_cell_length_b [20.0227]
_cell_length_c [18.0823]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [KTl2GeI5]
_chemical_formula_sum '[K4 Tl8 Ge4 I20]'
_cell_volume [1668.3639]
_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
[
  K  K0  4  0.0000  0.4399  0.4383  1.0
  Tl  Tl1  4  0.0000  0.0599  0.6493  1.0
  Tl  Tl2  4  0.0000  0.1473  0.2553  1.0
  Ge  Ge3  4  0.0000  0.2520  0.0389  1.0
  I  I4  4  0.0000  0.0994  0.0708  1.0
  I  I5  4  0.0000  0.2381  0.6569  1.0
  I  I6  4  0.0000  0.2634  0.4281  1.0
  I  I7  4  0.0000  0.3970  0.0151  1.0
  I  I8  4  0.0000  0.4788  0.7713  1.0
]