data_[Na2Hg16Pd4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hg  2.0000  1.5000  1.2450
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.4961]
_cell_length_b [12.0934]
_cell_length_c [5.3844]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na(Hg4Pd)2]
_chemical_formula_sum '[Na2 Hg16 Pd4]'
_cell_volume [542.4063]
_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
[
  Na  Na0  2  0.0000  0.0000  0.5000  1
  Hg  Hg1  8  0.2010  0.1246  0.1275  1
  Hg  Hg2  4  0.0000  0.2631  0.5000  1
  Hg  Hg3  4  0.1221  0.5000  0.2879  1
  Pd  Pd4  4  0.0000  0.3071  0.0000  1
]