data_[Hg2H4Pd12]
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 [9.4254]
_cell_length_b [2.8870]
_cell_length_c [9.2144]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.3316]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Hg(HPd3)2]
_chemical_formula_sum '[Hg2 H4 Pd12]'
_cell_volume [247.4129]
_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  2  0.0000  0.0000  0.5000  1.0
  Pd  Pd1  4  0.0652  0.0000  0.8028  1.0
  H  H2  4  0.1257  0.0000  0.1853  1.0
  Pd  Pd3  4  0.1491  0.5000  0.0684  1.0
  Pd  Pd4  4  0.2456  0.0000  0.3601  1.0
]