data_[Hg4H4Pd12]
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 [10.4496]
_cell_length_b [4.8095]
_cell_length_c [6.0095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0809]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [HgHPd3]
_chemical_formula_sum '[Hg4 H4 Pd12]'
_cell_volume [287.1062]
_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  0.1306  0.0000  0.9382  1.0
  Pd  Pd1  4  0.1162  0.0000  0.4310  1.0
  Pd  Pd2  4  0.1174  0.5000  0.6905  1.0
  Pd  Pd3  4  0.1228  0.5000  0.1816  1.0
  H  H4  4  0.2060  0.5000  0.4875  1.0
]