data_[Na2Pd1Au1I6]
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
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6171]
_cell_length_b [7.8758]
_cell_length_c [7.9794]
_cell_angle_alpha [82.7499]
_cell_angle_beta [62.5664]
_cell_angle_gamma [61.3329]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2PdAuI6]
_chemical_formula_sum '[Na2 Pd1 Au1 I6]'
_cell_volume [370.0081]
_cell_formula_units_Z [1]
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  1  0.0125  0.9856  0.9524  1.0
  Na  Na1  1  0.0628  0.4759  0.4440  1.0
  Pd  Pd2  1  0.6572  0.6743  0.0169  1.0
  Au  Au3  1  0.6481  0.1769  0.5193  1.0
  I  I4  1  0.0889  0.5815  0.8111  1.0
  I  I5  1  0.2223  0.7820  0.2349  1.0
  I  I6  1  0.5238  0.0632  0.3056  1.0
  I  I7  1  0.5524  0.8920  0.7555  1.0
  I  I8  1  0.7486  0.3045  0.7435  1.0
  I  I9  1  0.8065  0.4025  0.2320  1.0
]