data_[Cs12Tb6Pd6I36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.4913]
_cell_length_b [8.4913]
_cell_length_c [41.8237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2TbPdI6]
_chemical_formula_sum '[Cs12 Tb6 Pd6 I36]'
_cell_volume [2611.5903]
_cell_formula_units_Z [6]
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  6  0.0000  0.0000  0.1206  1
  Cs  Cs1  6  0.0000  0.0000  0.2958  1
  Tb  Tb2  6  0.0000  0.0000  0.4174  1
  Pd  Pd3  3  -0.0000  -0.0000  0.5000  1
  Pd  Pd4  3  0.0000  0.0000  0.0000  1
  I  I5  18  0.0005  0.5002  0.1269  1
  I  I6  18  0.0046  0.5023  0.7081  1
]