data_[Pd4Cl8]
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 [P2_1/c]
_cell_length_a [6.1248]
_cell_length_b [8.4505]
_cell_length_c [6.3896]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7943]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [PdCl2]
_chemical_formula_sum '[Pd4 Cl8]'
_cell_volume [323.7251]
_cell_formula_units_Z [4]
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  4  0.2168  0.6314  0.0000  1.0
  Cl  Cl1  4  0.0069  0.0508  0.2642  1.0
  Cl  Cl2  4  0.4282  0.6980  0.7489  1.0
]