data_[Na14Hg6]
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
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [10.7230]
_cell_length_b [10.7230]
_cell_length_c [6.2403]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Na7Hg3]
_chemical_formula_sum '[Na14 Hg6]'
_cell_volume [621.4055]
_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  6  0.0620  0.5310  0.1787  1.0
  Na  Na1  6  0.1223  0.8777  0.3953  1.0
  Na  Na2  2  0.3333  0.6667  0.5767  1.0
  Hg  Hg3  6  0.1965  0.3930  0.8697  1.0
]