data_[Ba20H4Pd4Au8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [Cmc2_1]
_cell_length_a [4.5964]
_cell_length_b [19.9155]
_cell_length_c [14.3142]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5HPdAu2]
_chemical_formula_sum '[Ba20 H4 Pd4 Au8]'
_cell_volume [1310.3200]
_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
[
  Ba  Ba0  4  0.0000  0.0362  0.9992  1.0
  Ba  Ba1  4  0.0000  0.2977  0.6820  1.0
  Ba  Ba2  4  0.0000  0.3147  0.3721  1.0
  Ba  Ba3  4  0.0000  0.3487  0.0198  1.0
  Ba  Ba4  4  0.0000  0.4984  0.7619  1.0
  Pd  Pd5  4  0.0000  0.1926  0.0284  1.0
  H  H6  4  0.0000  0.4454  0.4214  1.0
  Au  Au7  4  0.0000  0.1189  0.6999  1.0
  Au  Au8  4  0.0000  0.1218  0.3393  1.0
]