data_[Cs2Ce2Pd2I12]
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
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [8.3962]
_cell_length_b [12.0965]
_cell_length_c [8.9507]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5324]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CsCePdI6]
_chemical_formula_sum '[Cs2 Ce2 Pd2 I12]'
_cell_volume [893.7591]
_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  0.9293  0.5000  1.0
  Ce  Ce1  2  0.0000  0.3116  0.0000  1.0
  Pd  Pd2  2  0.0000  0.6769  0.0000  1.0
  I  I3  4  0.1297  0.5217  0.1957  1.0
  I  I4  4  0.1762  0.1874  0.2765  1.0
  I  I5  4  0.1883  0.8312  0.1548  1.0
]