data_[H4Pd4O4]
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 [Imm2]
_cell_length_a [2.5945]
_cell_length_b [8.5408]
_cell_length_c [5.2643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [HPdO]
_chemical_formula_sum '[H4 Pd4 O4]'
_cell_volume [116.6510]
_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  0.0000  0.2725  0.9470  1
  H  H1  2  0.0000  0.0000  0.7485  1
  H  H2  2  0.0000  0.5000  0.4873  1
  O  O3  2  0.0000  0.0000  0.9442  1
  O  O4  2  0.0000  0.5000  0.0072  1
]