data_[Pd1I1Cl3]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1556]
_cell_length_b [6.6427]
_cell_length_c [19.1709]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [97.9517]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [PdICl3]
_chemical_formula_sum '[Pd1 I1 Cl3]'
_cell_volume [524.1081]
_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  1  0.5060  0.1462  0.4653  1
  I  I1  1  0.2672  0.4483  0.5165  1
  Cl  Cl2  1  0.0155  0.9342  0.4902  1
  Cl  Cl3  1  0.5821  0.4996  0.6228  1
  Cl  Cl4  1  0.8727  0.3777  0.4052  1
]