data_[Cs2Ce2In2I12]
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
  In  1.7800  1.5500  0.9400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [8.2475]
_cell_length_b [8.2475]
_cell_length_c [15.1694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CsCeInI6]
_chemical_formula_sum '[Cs2 Ce2 In2 I12]'
_cell_volume [1031.8275]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.6722  1.0
  Ce  Ce1  2  0.0000  0.0000  0.3339  1.0
  In  In2  2  0.0000  0.0000  0.0045  1.0
  I  I3  4  0.1712  0.8288  0.1797  1.0
  I  I4  4  0.1988  0.8012  0.4659  1.0
  I  I5  4  0.2394  0.7606  0.8491  1.0
]