data_[Na16Hg2Pd4]
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 [16.5465]
_cell_length_b [4.9482]
_cell_length_c [7.7166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4654]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8HgPd2]
_chemical_formula_sum '[Na16 Hg2 Pd4]'
_cell_volume [579.5516]
_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  4  0.0328  0.0000  0.7308  1.0
  Na  Na1  4  0.1286  0.5000  0.4539  1.0
  Na  Na2  4  0.1700  0.0000  0.2399  1.0
  Na  Na3  4  0.1766  0.5000  0.9160  1.0
  Hg  Hg4  2  0.0000  0.5000  0.0000  1.0
  Pd  Pd5  4  0.2019  0.0000  0.6721  1.0
]