data_[Pd2I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.1275]
_cell_length_b [7.7693]
_cell_length_c [7.9253]
_cell_angle_alpha [109.9582]
_cell_angle_beta [106.1082]
_cell_angle_gamma [102.5232]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PdI3]
_chemical_formula_sum '[Pd2 I6]'
_cell_volume [371.9826]
_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
[
  Pd  Pd0  2  0.0365  0.1630  0.3678  1.0
  I  I1  2  0.1853  0.7762  0.9185  1.0
  I  I2  2  0.2684  0.1152  0.6577  1.0
  I  I3  2  0.2953  0.4420  0.3478  1.0
]