data_[Na8Tl4Ge4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Ge  2.0100  1.2500  0.7700
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.2457]
_cell_length_b [17.9454]
_cell_length_c [14.2418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Na2TlGeCl5]
_chemical_formula_sum '[Na8 Tl4 Ge4 Cl20]'
_cell_volume [1085.0837]
_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
[
  Na  Na0  4  0.0000  0.1356  0.7129  1.0
  Na  Na1  4  0.0000  0.1498  0.2229  1.0
  Tl  Tl2  4  0.0000  0.2391  0.9693  1.0
  Ge  Ge3  4  0.0000  0.4957  0.4696  1.0
  Cl  Cl4  4  0.0000  0.0625  0.0514  1.0
  Cl  Cl5  4  0.0000  0.2745  0.6369  1.0
  Cl  Cl6  4  0.0000  0.3491  0.3382  1.0
  Cl  Cl7  4  0.0000  0.4043  0.8365  1.0
  Cl  Cl8  4  0.0000  0.4081  0.0863  1.0
]