data_[Ba20Ag8H4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6293]
_cell_length_b [20.3383]
_cell_length_c [14.5624]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Ag2HPd]
_chemical_formula_sum '[Ba20 Ag8 H4 Pd4]'
_cell_volume [1371.0700]
_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  0.0409  0.0004  1
  Ba  Ba1  4  0.0000  0.2995  0.6762  1
  Ba  Ba2  4  0.0000  0.3119  0.3748  1
  Ba  Ba3  4  0.0000  0.3494  0.0205  1
  Ba  Ba4  4  0.0000  0.4997  0.7648  1
  Ag  Ag5  4  0.0000  0.1204  0.7025  1
  Ag  Ag6  4  0.0000  0.1210  0.3376  1
  Pd  Pd7  4  0.0000  0.1954  0.0263  1
  H  H8  4  0.0000  0.4416  0.4208  1
]