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 [Cm]
_cell_length_a [9.5712]
_cell_length_b [2.8665]
_cell_length_c [5.0063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [HPd3Au]
_chemical_formula_sum '[H2 Pd6 Au2]'
_cell_volume [135.3535]
_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  2  0.0632  0.5000  0.4145  1
  Pd  Pd1  2  0.0649  0.0000  0.9315  1
  H  H2  2  0.1337  0.0000  0.6200  1
  Pd  Pd3  2  0.3234  0.0000  0.6771  1
  Au  Au4  2  0.3151  0.5000  0.1731  1
]