data_[Cs2Ce2Si2S8]
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
  Si  1.9000  1.1000  0.5400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.5690]
_cell_length_b [6.7492]
_cell_length_c [9.5638]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0812]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCeSiS4]
_chemical_formula_sum '[Cs2 Ce2 Si2 S8]'
_cell_volume [403.0757]
_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  0.2748  0.2500  0.0653  1.0
  Ce  Ce1  2  0.2321  0.2500  0.5462  1.0
  Si  Si2  2  0.2106  0.7500  0.3323  1.0
  S  S3  4  0.0020  0.0016  0.7031  1.0
  S  S4  2  0.4011  0.7500  0.5580  1.0
  S  S5  2  0.4040  0.7500  0.1920  1.0
]