data_[Cs8Li4Ge4I20]
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 [Cmc2_1]
_cell_length_a [4.7043]
_cell_length_b [22.4907]
_cell_length_c [15.5307]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiGeI5]
_chemical_formula_sum '[Cs8 Li4 Ge4 I20]'
_cell_volume [1643.1978]
_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  0.1046  0.6797  1
  Cs  Cs1  4  0.0000  0.1267  0.2984  1
  Li  Li2  4  0.0000  0.4252  0.4495  1
  Ge  Ge3  4  0.0000  0.2128  0.0176  1
  I  I4  4  0.0000  0.0727  0.0465  1
  I  I5  4  0.0000  0.2775  0.6459  1
  I  I6  4  0.0000  0.3045  0.3865  1
  I  I7  4  0.0000  0.3410  0.9942  1
  I  I8  4  0.0000  0.4940  0.3057  1
]