data_[Cs2Ce2Tl4I12]
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
  Tl  1.6200  1.9000  1.3325
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.4423]
_cell_length_b [9.8963]
_cell_length_c [14.7617]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.0813]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsCe(TlI3)2]
_chemical_formula_sum '[Cs2 Ce2 Tl4 I12]'
_cell_volume [1044.9701]
_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  0.5000  0.0000  0.0000  1.0
  Ce  Ce1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  4  0.3046  0.5642  0.7912  1.0
  I  I3  4  0.0718  0.6094  0.2204  1.0
  I  I4  4  0.2694  0.2500  0.1159  1.0
  I  I5  4  0.3500  0.6578  0.0317  1.0
]