data_[Na4Tl8Ge4Cl20]
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 [4.1268]
_cell_length_b [18.1262]
_cell_length_c [14.4721]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaTl2GeCl5]
_chemical_formula_sum '[Na4 Tl8 Ge4 Cl20]'
_cell_volume [1082.5712]
_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  0.4615  0.4455  1.0
  Tl  Tl1  4  0.0000  0.0948  0.6580  1.0
  Tl  Tl2  4  0.0000  0.1325  0.3104  1.0
  Ge  Ge3  4  0.0000  0.2128  0.0293  1.0
  Cl  Cl4  4  0.0000  0.0800  0.0567  1.0
  Cl  Cl5  4  0.0000  0.2744  0.6557  1.0
  Cl  Cl6  4  0.0000  0.3065  0.4080  1.0
  Cl  Cl7  4  0.0000  0.3879  0.9907  1.0
  Cl  Cl8  4  0.0000  0.4962  0.7696  1.0
]