data_[Cs20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
]
_symmetry_space_group_name_H-M [P4_132]
_cell_length_a [13.4912]
_cell_length_b [13.4912]
_cell_length_c [13.4912]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [213]
_chemical_formula_structural [Cs]
_chemical_formula_sum '[Cs20]'
_cell_volume [2455.5707]
_cell_formula_units_Z [20]
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  12  0.0482  0.8750  0.7018  1.0
  Cs  Cs1  8  0.0624  0.0624  0.0624  1.0
]