data_[Na12Hg6Pd2]
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 [P2_1/m]
_cell_length_a [11.7930]
_cell_length_b [3.3251]
_cell_length_c [14.3414]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0416]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Na6Hg3Pd]
_chemical_formula_sum '[Na12 Hg6 Pd2]'
_cell_volume [540.4714]
_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  0.1124  0.7500  0.4749  1.0
  Na  Na1  2  0.1306  0.2500  0.8611  1.0
  Na  Na2  2  0.1618  0.2500  0.2646  1.0
  Na  Na3  2  0.2622  0.2500  0.6861  1.0
  Na  Na4  2  0.3653  0.7500  0.0868  1.0
  Na  Na5  2  0.4758  0.2500  0.3200  1.0
  Hg  Hg6  2  0.1057  0.7500  0.0626  1.0
  Hg  Hg7  2  0.3636  0.2500  0.4906  1.0
  Hg  Hg8  2  0.3999  0.7500  0.8781  1.0
  Pd  Pd9  2  0.0550  0.7500  0.6742  1.0
]