data_[Li4Tl8Ge4Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [4.0975]
_cell_length_b [18.3979]
_cell_length_c [13.6604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiTl2GeCl5]
_chemical_formula_sum '[Li4 Tl8 Ge4 Cl20]'
_cell_volume [1029.7906]
_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
[
  Li  Li0  4  0.0000  0.4414  0.4473  1.0
  Tl  Tl1  4  0.0000  0.0898  0.6723  1.0
  Tl  Tl2  4  0.0000  0.1317  0.3046  1.0
  Ge  Ge3  4  0.0000  0.2117  0.0238  1.0
  Cl  Cl4  4  0.0000  0.0486  0.0368  1.0
  Cl  Cl5  4  0.0000  0.2769  0.6561  1.0
  Cl  Cl6  4  0.0000  0.3125  0.3950  1.0
  Cl  Cl7  4  0.0000  0.3437  0.9938  1.0
  Cl  Cl8  4  0.0000  0.4982  0.7943  1.0
]