data_[H4Pd2Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.7167]
_cell_length_b [4.7167]
_cell_length_c [18.2296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [H2PdCl4]
_chemical_formula_sum '[H4 Pd2 Cl8]'
_cell_volume [405.5658]
_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
[
  H  H0  4  0.0000  0.0000  0.3893  1
  Pd  Pd1  2  0.0000  0.0000  0.0000  1
  Cl  Cl2  4  0.0000  0.0000  0.3188  1
  Cl  Cl3  4  0.0000  0.5000  0.0000  1
]