data_[Cs4Na4Ce4I20]
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
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [10.5661]
_cell_length_b [14.6956]
_cell_length_c [12.1653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.3571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CsNaCeI5]
_chemical_formula_sum '[Cs4 Na4 Ce4 I20]'
_cell_volume [1746.9709]
_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  4  0.0000  0.3403  0.2500  1.0
  Na  Na1  4  0.0000  0.3080  0.7500  1.0
  Ce  Ce2  4  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.1032  0.1991  0.5855  1.0
  I  I4  8  0.1939  0.4424  0.9348  1.0
  I  I5  4  0.0000  0.0664  0.2500  1.0
]