data_[Cs8Ce8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [17.6765]
_cell_length_b [8.1512]
_cell_length_c [8.1580]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cs2Ce2Se5]
_chemical_formula_sum '[Cs8 Ce8 Se20]'
_cell_volume [1175.4540]
_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  8  0.2057  0.0000  0.0000  1.0
  Ce  Ce1  8  0.0000  0.1643  0.6644  1.0
  Se  Se2  16  0.1035  0.1426  0.3575  1.0
  Se  Se3  4  0.0000  0.0000  0.0000  1.0
]