data_[H2Pd8Au4]
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 [P1]
_cell_length_a [5.5896]
_cell_length_b [5.7322]
_cell_length_c [6.8154]
_cell_angle_alpha [89.8352]
_cell_angle_beta [73.9178]
_cell_angle_gamma [74.6900]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [H(Pd2Au)2]
_chemical_formula_sum '[H2 Pd8 Au4]'
_cell_volume [201.7953]
_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  1  0.0544  0.2386  0.6892  1.0
  Pd  Pd1  1  0.2710  0.4370  0.9684  1.0
  Pd  Pd2  1  0.2769  0.9327  0.9638  1.0
  H  H3  1  0.3333  0.1990  0.1651  1.0
  Pd  Pd4  1  0.3838  0.9069  0.3570  1.0
  Pd  Pd5  1  0.3870  0.4058  0.3555  1.0
  Pd  Pd6  1  0.7113  0.0740  0.0175  1.0
  Pd  Pd7  1  0.9426  0.7603  0.3031  1.0
  Pd  Pd8  1  0.9462  0.2708  0.3050  1.0
  H  H9  1  0.9563  0.0111  0.1460  1.0
  Au  Au10  1  0.0556  0.7399  0.6887  1.0
  Au  Au11  1  0.6043  0.1035  0.6310  1.0
  Au  Au12  1  0.6082  0.5996  0.6325  1.0
  Au  Au13  1  0.7191  0.5707  0.0272  1.0
]