data_[Cs8Ce8Te20]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [18.8210]
_cell_length_b [8.6998]
_cell_length_c [8.7085]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Cs2Ce2Te5]
_chemical_formula_sum '[Cs8 Ce8 Te20]'
_cell_volume [1425.9261]
_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  0.1597  0.3403  1.0
  Te  Te2  16  0.1062  0.1438  0.6437  1.0
  Te  Te3  4  0.0000  0.0000  0.0000  1.0
]