data_[H12Pd8Au4]
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 [10.2622]
_cell_length_b [3.0507]
_cell_length_c [8.1607]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.0177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [H3Pd2Au]
_chemical_formula_sum '[H12 Pd8 Au4]'
_cell_volume [236.8564]
_cell_formula_units_Z [4]
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  0.0012  0.5000  0.7670  1.0
  H  H1  4  0.0022  0.0000  0.6462  1.0
  H  H2  4  0.1606  0.5000  0.4353  1.0
  Pd  Pd3  4  0.1643  0.0000  0.5835  1.0
  H  H4  4  0.1704  0.5000  0.7286  1.0
  Au  Au5  4  0.1592  0.0000  0.0736  1.0
]