data_[Ba20Hg8H4Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Hg  2.0000  1.5000  1.2450
  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 [4.5958]
_cell_length_b [20.5748]
_cell_length_c [15.2671]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba5Hg2HPd]
_chemical_formula_sum '[Ba20 Hg8 H4 Pd4]'
_cell_volume [1443.6337]
_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  0.0458  0.0147  1.0
  Ba  Ba1  4  0.0000  0.2904  0.6689  1.0
  Ba  Ba2  4  0.0000  0.3131  0.3766  1.0
  Ba  Ba3  4  0.0000  0.3538  0.0100  1.0
  Ba  Ba4  4  0.0000  0.4972  0.7789  1.0
  Hg  Hg5  4  0.0000  0.1126  0.6937  1.0
  Hg  Hg6  4  0.0000  0.1309  0.3272  1.0
  Pd  Pd7  4  0.0000  0.1996  0.0224  1.0
  H  H8  4  0.0000  0.4433  0.4317  1.0
]