data_[H2Pd6Au2]
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 [P-1]
_cell_length_a [4.9679]
_cell_length_b [4.9709]
_cell_length_c [5.8276]
_cell_angle_alpha [90.1156]
_cell_angle_beta [106.1477]
_cell_angle_gamma [100.3888]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [HPd3Au]
_chemical_formula_sum '[H2 Pd6 Au2]'
_cell_volume [135.7616]
_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  2  0.1348  0.4353  0.6681  1.0
  Pd  Pd1  2  0.2519  0.1126  0.6894  1.0
  Pd  Pd2  2  0.2544  0.6302  0.9483  1.0
  Pd  Pd3  2  0.2593  0.6306  0.4359  1.0
  Au  Au4  2  0.2509  0.1288  0.1887  1.0
]