data_[Hg4H4Pd8]
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 [P2_1/c]
_cell_length_a [7.2095]
_cell_length_b [4.6012]
_cell_length_c [6.8237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HgHPd2]
_chemical_formula_sum '[Hg4 H4 Pd8]'
_cell_volume [220.2453]
_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  4  0.1744  0.2482  0.2934  1.0
  Pd  Pd1  4  0.1527  0.7463  0.0382  1.0
  H  H2  4  0.4092  0.6582  0.6050  1.0
  Pd  Pd3  4  0.4986  0.2492  0.1239  1.0
]