data_[K8Ce8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cmce]
_cell_length_a [15.4723]
_cell_length_b [7.7312]
_cell_length_c [7.7408]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [K2Ce2S5]
_chemical_formula_sum '[K8 Ce8 S20]'
_cell_volume [925.9528]
_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
[
  K  K0  8  0.2054  0.0000  0.0000  1.0
  Ce  Ce1  8  0.0000  0.1657  0.6657  1.0
  S  S2  16  0.1120  0.1440  0.3562  1.0
  S  S3  4  0.0000  0.0000  0.0000  1.0
]