data_[H12Pd16Au4]
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 [Cc]
_cell_length_a [13.0034]
_cell_length_b [5.0591]
_cell_length_c [5.6932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.8986]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [H3Pd4Au]
_chemical_formula_sum '[H12 Pd16 Au4]'
_cell_volume [356.4035]
_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  0.0920  0.0905  0.4203  1
  Pd  Pd1  4  0.1907  0.4171  0.1300  1
  H  H2  4  0.2227  0.0957  0.0365  1
  H  H3  4  0.2509  0.3519  0.4679  1
  Pd  Pd4  4  0.2982  0.0905  0.8157  1
  Pd  Pd5  4  0.3938  0.4104  0.5153  1
  H  H6  4  0.4463  0.3486  0.8399  1
  Au  Au7  4  0.4957  0.0923  0.2251  1
]