data_[H4Pd16Au2]
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 [14.7822]
_cell_length_b [2.8231]
_cell_length_c [7.2073]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H2Pd8Au]
_chemical_formula_sum '[H4 Pd16 Au2]'
_cell_volume [292.4406]
_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  4  0.0716  0.0000  0.6695  1
  Pd  Pd1  4  0.0947  0.5000  0.3326  1
  H  H2  4  0.1554  0.0000  0.5068  1
  Pd  Pd3  4  0.1679  0.5000  0.9995  1
  Pd  Pd4  4  0.2390  0.5000  0.6726  1
  Au  Au5  2  0.0000  0.0000  0.0000  1
]