data_[Cs8Li4Ge4Br20]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.4450]
_cell_length_b [20.8387]
_cell_length_c [14.5739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiGeBr5]
_chemical_formula_sum '[Cs8 Li4 Ge4 Br20]'
_cell_volume [1349.9397]
_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  0.1035  0.6809  1
  Cs  Cs1  4  0.0000  0.1269  0.2985  1
  Li  Li2  4  0.0000  0.4288  0.4520  1
  Ge  Ge3  4  0.0000  0.2120  0.0159  1
  Br  Br4  4  0.0000  0.0682  0.0427  1
  Br  Br5  4  0.0000  0.2793  0.6432  1
  Br  Br6  4  0.0000  0.3082  0.3869  1
  Br  Br7  4  0.0000  0.3385  0.9946  1
  Br  Br8  4  0.0000  0.4941  0.3091  1
]