data_[Na8Hg16Pd20]
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 [Fmmm]
_cell_length_a [5.7680]
_cell_length_b [9.6878]
_cell_length_c [17.6789]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Na2Hg4Pd5]
_chemical_formula_sum '[Na8 Hg16 Pd20]'
_cell_volume [987.8772]
_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
[
  Na  Na0  8  0.0000  0.0000  0.1014  1.0
  Hg  Hg1  16  0.0000  0.1617  0.3710  1.0
  Pd  Pd2  8  0.2500  0.2500  0.0000  1.0
  Pd  Pd3  8  0.2500  0.2500  0.2500  1.0
  Pd  Pd4  4  0.0000  0.0000  0.5000  1.0
]