data_[H4Pd4O8]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.1140]
_cell_length_b [11.8838]
_cell_length_c [4.4843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [HPdO2]
_chemical_formula_sum '[H4 Pd4 O8]'
_cell_volume [165.9458]
_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
[
  H  H0  4  0.0000  0.0171  0.4491  1.0
  Pd  Pd1  4  0.0000  0.3234  0.7687  1.0
  O  O2  4  0.0000  0.0613  0.2563  1.0
  O  O3  4  0.0000  0.2905  0.2671  1.0
]