data_[Pd2I13]
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 [7.9449]
_cell_length_b [8.8258]
_cell_length_c [10.9519]
_cell_angle_alpha [113.5229]
_cell_angle_beta [91.7333]
_cell_angle_gamma [102.5918]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Pd2I13]
_chemical_formula_sum '[Pd2 I13]'
_cell_volume [681.2704]
_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
[
  Pd  Pd0  2  0.1911  0.8796  0.1540  1.0
  I  I1  2  0.1016  0.1151  0.3758  1.0
  I  I2  2  0.1483  0.3203  0.9171  1.0
  I  I3  2  0.2108  0.4466  0.3498  1.0
  I  I4  2  0.2917  0.6663  0.9202  1.0
  I  I5  2  0.3530  0.7655  0.3287  1.0
  I  I6  2  0.4868  0.9053  0.7924  1.0
  I  I7  1  0.0000  0.0000  0.0000  1.0
]