data_[Hg8H4Pd12]
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 [9.9129]
_cell_length_b [6.8599]
_cell_length_c [5.8413]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.8355]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hg2HPd3]
_chemical_formula_sum '[Hg8 H4 Pd12]'
_cell_volume [393.5087]
_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
[
  Hg  Hg0  8  0.1494  0.1494  0.6880  1
  Pd  Pd1  8  0.1363  0.4666  0.9864  1
  Pd  Pd2  4  0.0000  0.1904  0.2500  1
  H  H3  4  0.0000  0.4557  0.2500  1
]