data_[H4Pd12Au8]
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
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1223]
_cell_length_b [9.9471]
_cell_length_c [7.5803]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5793]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HPd3Au2]
_chemical_formula_sum '[H4 Pd12 Au8]'
_cell_volume [363.8936]
_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  8  0.2348  0.2146  0.1904  1
  H  H1  4  0.0000  0.3092  0.0000  1
  Pd  Pd2  4  0.1252  0.5000  0.1840  1
  Au  Au3  4  0.0000  0.1413  0.5000  1
  Au  Au4  2  0.0000  0.0000  0.0000  1
  Au  Au5  2  0.0000  0.5000  0.5000  1
]