data_[Cs8Sn6Ge2I24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sn  1.9600  1.4500  0.8300
  Ge  2.0100  1.2500  0.7700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Im-3m]
_cell_length_a [12.4939]
_cell_length_b [12.4939]
_cell_length_c [12.4939]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [229]
_chemical_formula_structural [Cs4Sn3GeI12]
_chemical_formula_sum '[Cs8 Sn6 Ge2 I24]'
_cell_volume [1950.2829]
_cell_formula_units_Z [2]
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  8  0.2500  0.2500  0.2500  1.0
  Sn  Sn1  6  0.0000  0.0000  0.5000  1.0
  Ge  Ge2  2  0.0000  0.0000  0.0000  1.0
  I  I3  12  0.0000  0.0000  0.2438  1.0
  I  I4  12  0.0000  0.2500  0.5000  1.0
]