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 [Amm2]
_cell_length_a [2.9202]
_cell_length_b [5.7281]
_cell_length_c [8.1748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [HPd3Au]
_chemical_formula_sum '[H2 Pd6 Au2]'
_cell_volume [136.7391]
_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  0.5000  0.2437  0.6024  1.0
  Pd  Pd1  2  0.0000  0.0000  0.8419  1.0
  H  H2  2  0.5000  0.0000  0.9761  1.0
  Au  Au3  2  0.0000  0.0000  0.3490  1.0
]