data_[Cs8Li4Ce4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.7063]
_cell_length_b [22.6167]
_cell_length_c [16.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Cs2LiCeI5]
_chemical_formula_sum '[Cs8 Li4 Ce4 I20]'
_cell_volume [1736.4926]
_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  0.1139  0.6879  1.0
  Cs  Cs1  4  0.0000  0.1271  0.3182  1.0
  Li  Li2  4  0.0000  0.4337  0.4341  1.0
  Ce  Ce3  4  0.0000  0.2013  0.0201  1.0
  I  I4  4  0.0000  0.0577  0.0289  1.0
  I  I5  4  0.0000  0.2896  0.6614  1.0
  I  I6  4  0.0000  0.3106  0.3762  1.0
  I  I7  4  0.0000  0.3443  0.0052  1.0
  I  I8  4  0.0000  0.4957  0.2921  1.0
]