data_[Pd2Cl8]
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/c]
_cell_length_a [6.2917]
_cell_length_b [7.4610]
_cell_length_c [6.1150]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7791]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [PdCl4]
_chemical_formula_sum '[Pd2 Cl8]'
_cell_volume [274.8350]
_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  0.5000  0.3838  0.2500  1.0
  Cl  Cl1  4  0.2703  0.1680  0.0398  1.0
  Cl  Cl2  4  0.2829  0.3851  0.5062  1.0
]