data_[Na2Pd2I2]
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 [P1]
_cell_length_a [4.6068]
_cell_length_b [5.6609]
_cell_length_c [7.2785]
_cell_angle_alpha [85.7349]
_cell_angle_beta [81.6738]
_cell_angle_gamma [67.5584]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [NaPdI]
_chemical_formula_sum '[Na2 Pd2 I2]'
_cell_volume [173.5521]
_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  1  0.7093  0.8714  0.9677  1
  Na  Na1  1  0.9892  0.5023  0.5119  1
  Pd  Pd2  1  0.2910  0.8187  0.6277  1
  Pd  Pd3  1  0.6442  0.1720  0.6107  1
  I  I4  1  0.0561  0.0032  0.3069  1
  I  I5  1  0.4096  0.4722  0.8962  1
]