data_[H8Pd24Au8]
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/c]
_cell_length_a [11.1630]
_cell_length_b [9.8305]
_cell_length_c [5.5503]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.4951]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HPd3Au]
_chemical_formula_sum '[H8 Pd24 Au8]'
_cell_volume [540.2826]
_cell_formula_units_Z [8]
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  0.1216  0.0361  0.4963  1.0
  Pd  Pd1  8  0.1247  0.4624  0.9958  1.0
  H  H2  8  0.2172  0.3860  0.3332  1.0
  Pd  Pd3  8  0.2499  0.2097  0.2479  1.0
  Au  Au4  4  0.0000  0.2109  0.7500  1.0
  Au  Au5  4  0.0000  0.2877  0.2500  1.0
]