data_[Cs2Ce8S16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.8814]
_cell_length_b [7.8814]
_cell_length_c [17.9446]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Cs(CeS2)4]
_chemical_formula_sum '[Cs2 Ce8 S16]'
_cell_volume [965.3119]
_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  2  0.0000  0.0000  0.0000  1
  Ce  Ce1  6  0.0015  0.5008  0.2500  1
  Ce  Ce2  2  0.0000  0.0000  0.2500  1
  S  S3  12  0.1658  0.3316  0.6608  1
  S  S4  4  0.3333  0.6667  0.1611  1
]