data_[Na4Fe4Pd4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Fe  1.8300  1.4000  0.8525
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.2778]
_cell_length_b [12.2282]
_cell_length_c [8.9809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8327]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaFePdI5]
_chemical_formula_sum '[Na4 Fe4 Pd4 I20]'
_cell_volume [1335.7840]
_cell_formula_units_Z [4]
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  0.0000  0.4071  0.7500  1.0
  Fe  Fe1  4  0.0000  0.2782  0.2500  1.0
  Pd  Pd2  4  0.0000  0.0000  0.0000  1.0
  I  I3  8  0.1231  0.3952  0.4476  1.0
  I  I4  8  0.1335  0.1526  0.1324  1.0
  I  I5  4  0.0000  0.1162  0.7500  1.0
]