data_[Hg8H8Pd24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/c]
_cell_length_a [9.6070]
_cell_length_b [11.5138]
_cell_length_c [5.0269]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [HgHPd3]
_chemical_formula_sum '[Hg8 H8 Pd24]'
_cell_volume [555.9097]
_cell_formula_units_Z [8]
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
[
  Hg  Hg0  8  0.1361  0.4293  0.5814  1
  Pd  Pd1  8  0.1218  0.1876  0.5849  1
  Pd  Pd2  8  0.1229  0.0640  0.0758  1
  Pd  Pd3  8  0.1279  0.3128  0.0851  1
  H  H4  4  0.0000  0.0727  0.7500  1
  H  H5  4  0.0000  0.2120  0.2500  1
]