data_[Hg6H8Pd8]
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/m]
_cell_length_a [15.0376]
_cell_length_b [2.9624]
_cell_length_c [7.4185]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3553]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg3(HPd)4]
_chemical_formula_sum '[Hg6 H8 Pd8]'
_cell_volume [296.1235]
_cell_formula_units_Z [2]
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  0.1261  0.0000  0.2397  1
  Hg  Hg1  2  0.0000  0.0000  0.5000  1
  Pd  Pd2  4  0.0496  0.5000  0.8595  1
  H  H3  4  0.1778  0.5000  0.9116  1
  Pd  Pd4  4  0.2095  0.0000  0.7934  1
  H  H5  4  0.2153  0.5000  0.6586  1
]