data_[Cs20Na4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [11.1549]
_cell_length_b [11.1549]
_cell_length_c [19.8134]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [140]
_chemical_formula_structural [Cs5Na]
_chemical_formula_sum '[Cs20 Na4]'
_cell_volume [2465.4305]
_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  16  0.1623  0.3377  0.1442  1.0
  Cs  Cs1  4  0.0000  0.0000  0.0000  1.0
  Na  Na2  4  0.0000  0.0000  0.2500  1.0
]