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 [P1]
_cell_length_a [4.9651]
_cell_length_b [5.0297]
_cell_length_c [5.7275]
_cell_angle_alpha [89.9446]
_cell_angle_beta [73.2119]
_cell_angle_gamma [81.5886]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [HPd3Au]
_chemical_formula_sum '[H2 Pd6 Au2]'
_cell_volume [135.3339]
_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
[
  H  H0  1  0.0135  0.9618  0.2972  1.0
  Pd  Pd1  1  0.3835  0.4139  0.9581  1.0
  Pd  Pd2  1  0.3880  0.9035  0.7043  1.0
  Pd  Pd3  1  0.4011  0.9009  0.2069  1.0
  H  H4  1  0.5395  0.0707  0.9080  1.0
  Pd  Pd5  1  0.8861  0.1569  0.5874  1.0
  Pd  Pd6  1  0.8867  0.1600  0.0764  1.0
  Pd  Pd7  1  0.8878  0.6430  0.3334  1.0
  Au  Au8  1  0.3902  0.4032  0.4557  1.0
  Au  Au9  1  0.8914  0.6519  0.8318  1.0
]