data_[Ba20H4Pd8Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.6414]
_cell_length_b [19.3048]
_cell_length_c [13.6431]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5HPd2Pt]
_chemical_formula_sum '[Ba20 H4 Pd8 Pt4]'
_cell_volume [1222.4412]
_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  0.0193  0.9969  1.0
  Ba  Ba1  4  0.0000  0.2916  0.6900  1.0
  Ba  Ba2  4  0.0000  0.3241  0.3786  1.0
  Ba  Ba3  4  0.0000  0.3424  0.0169  1.0
  Ba  Ba4  4  0.0000  0.4881  0.7525  1.0
  Pd  Pd5  4  0.0000  0.1058  0.6885  1.0
  Pd  Pd6  4  0.0000  0.1264  0.3404  1.0
  H  H7  4  0.0000  0.4599  0.4219  1.0
  Pt  Pt8  4  0.0000  0.1799  0.0382  1.0
]