data_[Na13Hg2]
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 [P-1]
_cell_length_a [7.2624]
_cell_length_b [8.3940]
_cell_length_c [9.1187]
_cell_angle_alpha [67.9625]
_cell_angle_beta [87.4934]
_cell_angle_gamma [80.8950]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na13Hg2]
_chemical_formula_sum '[Na13 Hg2]'
_cell_volume [508.7029]
_cell_formula_units_Z [1]
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  0.0535  0.5190  0.6796  1.0
  Na  Na1  2  0.2086  0.9832  0.6059  1.0
  Na  Na2  2  0.2568  0.1693  0.1978  1.0
  Na  Na3  2  0.2682  0.6268  0.9885  1.0
  Na  Na4  2  0.4292  0.1841  0.8274  1.0
  Na  Na5  2  0.4508  0.3806  0.4026  1.0
  Na  Na6  1  0.0000  0.0000  0.0000  1.0
  Hg  Hg7  2  0.1786  0.7702  0.3451  1.0
]