data_[Ce2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2937]
_cell_length_b [4.2277]
_cell_length_c [9.8472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.3146]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeI3]
_chemical_formula_sum '[Ce2 I6]'
_cell_volume [371.3228]
_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
[
  Ce  Ce0  2  0.1885  0.2500  0.2348  1.0
  I  I1  2  0.0857  0.2500  0.8688  1.0
  I  I2  2  0.2378  0.7500  0.4865  1.0
  I  I3  2  0.4034  0.7500  0.1544  1.0
]