data_[Cs4Li4Ge8I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  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 [13.7702]
_cell_length_b [15.8426]
_cell_length_c [10.7157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.6965]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLi(GeI3)2]
_chemical_formula_sum '[Cs4 Li4 Ge8 I24]'
_cell_volume [2050.5563]
_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
[
  Cs  Cs0  4  0.0000  0.1187  0.2500  1.0
  Li  Li1  4  0.0000  0.2029  0.7500  1.0
  Ge  Ge2  8  0.1382  0.4248  0.1635  1.0
  I  I3  8  0.1069  0.2681  0.0319  1.0
  I  I4  8  0.1255  0.0876  0.6794  1.0
  I  I5  8  0.1351  0.4569  0.4719  1.0
]