data_[Cs4K4Ce4S12]
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
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.6851]
_cell_length_b [15.4474]
_cell_length_c [7.4431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsKCeS3]
_chemical_formula_sum '[Cs4 K4 Ce4 S12]'
_cell_volume [864.8063]
_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  0.2507  0.7500  1.0
  K  K1  4  0.0000  0.4227  0.2500  1.0
  Ce  Ce2  4  0.0000  0.0562  0.2500  1.0
  S  S3  8  0.2138  0.0440  0.9988  1.0
  S  S4  4  0.0000  0.2213  0.2500  1.0
]