data_[Cs4K4Ge4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ge  2.0100  1.2500  0.7700
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2665]
_cell_length_b [9.9675]
_cell_length_c [10.0568]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.8287]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CsKGeS3]
_chemical_formula_sum '[Cs4 K4 Ge4 S12]'
_cell_volume [927.7525]
_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  0.2032  0.0000  0.1197  1.0
  K  K1  4  0.0000  0.2679  0.5000  1.0
  Ge  Ge2  4  0.1731  0.0000  0.7031  1.0
  S  S3  8  0.1246  0.1833  0.8008  1.0
  S  S4  4  0.2437  0.0000  0.5028  1.0
]