data_[Na6Pd2I12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.6412]
_cell_length_b [7.9850]
_cell_length_c [13.2925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3336]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na3PdI6]
_chemical_formula_sum '[Na6 Pd2 I12]'
_cell_volume [713.8793]
_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
[
  Na  Na0  4  0.2085  0.6093  0.2350  1.0
  Na  Na1  2  0.5000  0.0000  0.5000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.0000  1.0
  I  I3  4  0.1043  0.7071  0.9401  1.0
  I  I4  4  0.2059  0.1728  0.9146  1.0
  I  I5  4  0.3662  0.5190  0.7326  1.0
]