data_[Li8Tl4Ge4I24]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [16.6444]
_cell_length_b [13.5332]
_cell_length_c [8.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.7653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2TlGeI6]
_chemical_formula_sum '[Li8 Tl4 Ge4 I24]'
_cell_volume [1721.8053]
_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  8  0.0717  0.4352  0.1584  1.0
  Tl  Tl1  4  0.0000  0.1681  0.2500  1.0
  Ge  Ge2  4  0.0000  0.1802  0.7500  1.0
  I  I3  8  0.1143  0.0647  0.6923  1.0
  I  I4  8  0.1153  0.4067  0.5061  1.0
  I  I5  8  0.1325  0.2631  0.0597  1.0
]