data_[Cs4Li4Ge8Br24]
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 [C2/c]
_cell_length_a [12.5835]
_cell_length_b [15.1198]
_cell_length_c [10.1610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7998]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsLi(GeBr3)2]
_chemical_formula_sum '[Cs4 Li4 Ge8 Br24]'
_cell_volume [1694.1167]
_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  0.1102  0.2500  1.0
  Li  Li1  4  0.0000  0.2114  0.7500  1.0
  Ge  Ge2  8  0.1420  0.4193  0.1690  1.0
  Br  Br3  8  0.1038  0.2736  0.0251  1.0
  Br  Br4  8  0.1222  0.0991  0.6768  1.0
  Br  Br5  8  0.1520  0.4687  0.4925  1.0
]