data_[Rb2Ce2Tl2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [P4_2nm]
_cell_length_a [8.0645]
_cell_length_b [8.0645]
_cell_length_c [15.1463]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [RbCeTlI6]
_chemical_formula_sum '[Rb2 Ce2 Tl2 I12]'
_cell_volume [985.0534]
_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
[
  Rb  Rb0  2  0.0000  0.0000  0.9975  1.0
  Ce  Ce1  2  0.0000  0.0000  0.3330  1.0
  Tl  Tl2  2  0.0000  0.0000  0.6643  1.0
  I  I3  4  0.1797  0.8203  0.4817  1.0
  I  I4  4  0.1919  0.8081  0.1942  1.0
  I  I5  4  0.2339  0.7661  0.8267  1.0
]