data_[Pd2Cl6]
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 [P-1]
_cell_length_a [6.1898]
_cell_length_b [6.1899]
_cell_length_c [7.1317]
_cell_angle_alpha [89.8616]
_cell_angle_beta [64.3879]
_cell_angle_gamma [62.9764]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [PdCl3]
_chemical_formula_sum '[Pd2 Cl6]'
_cell_volume [212.9973]
_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  0.3343  0.3347  0.0004  1.0
  Cl  Cl1  2  0.1671  0.2707  0.7815  1.0
  Cl  Cl2  2  0.1955  0.0911  0.2185  1.0
  Cl  Cl3  2  0.4952  0.4301  0.2184  1.0
]