data_[H6Pd8Au1]
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-3]
_cell_length_a [7.9964]
_cell_length_b [7.9964]
_cell_length_c [2.8783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [H6Pd8Au]
_chemical_formula_sum '[H6 Pd8 Au1]'
_cell_volume [159.3888]
_cell_formula_units_Z [1]
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  6  0.0202  0.3419  0.1847  1.0
  H  H1  6  0.1457  0.7047  0.3175  1.0
  Pd  Pd2  2  0.3333  0.6667  0.6287  1.0
  Au  Au3  1  0.0000  0.0000  0.5000  1.0
]