data_[Cs4Ce4Pb4I24]
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
  Pb  2.3300  1.8000  1.1225
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Imma]
_cell_length_a [11.4306]
_cell_length_b [11.8053]
_cell_length_c [16.6370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CsCePbI6]
_chemical_formula_sum '[Cs4 Ce4 Pb4 I24]'
_cell_volume [2245.0176]
_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  0.2500  0.5658  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  4  0.2500  0.2500  0.2500  1.0
  I  I3  16  0.2043  0.0427  0.1230  1.0
  I  I4  4  0.0000  0.2500  0.3380  1.0
  I  I5  4  0.0000  0.2500  0.9308  1.0
]