data_[Pd8Cl16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P4bm]
_cell_length_a [10.5448]
_cell_length_b [10.5448]
_cell_length_c [17.8970]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [100]
_chemical_formula_structural [PdCl2]
_chemical_formula_sum '[Pd8 Cl16]'
_cell_volume [1990.0303]
_cell_formula_units_Z [8]
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  8  0.0555  0.2331  0.4937  1
  Cl  Cl1  8  0.1037  0.8136  0.5739  1
  Cl  Cl2  4  0.2171  0.2829  0.4121  1
  Cl  Cl3  2  0.0000  0.0000  0.4190  1
  Cl  Cl4  2  0.0000  0.5000  0.4861  1
]