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 [P2_1/c]
_cell_length_a [7.9033]
_cell_length_b [4.8764]
_cell_length_c [8.9684]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.1014]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [HgHPd3]
_chemical_formula_sum '[Hg4 H4 Pd12]'
_cell_volume [299.0257]
_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  0.3698  0.2384  0.9444  1
  Pd  Pd1  4  0.0074  0.5329  0.1652  1
  H  H2  4  0.0467  0.7339  0.0033  1
  Pd  Pd3  4  0.1871  0.0486  0.1184  1
  Pd  Pd4  4  0.3928  0.5770  0.1982  1
]