data_[Na6Hg6Pd45]
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 [R-3m]
_cell_length_a [9.1406]
_cell_length_b [9.1406]
_cell_length_c [13.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Na2Hg2Pd15]
_chemical_formula_sum '[Na6 Hg6 Pd45]'
_cell_volume [995.6375]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.0967  1
  Hg  Hg1  6  0.0000  0.0000  0.3570  1
  Pd  Pd2  18  0.0000  0.3336  0.0000  1
  Pd  Pd3  18  0.0065  0.5032  0.1653  1
  Pd  Pd4  9  0.0000  0.5000  0.5000  1
]