data_[Na8Hg20]
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 [C2/c]
_cell_length_a [14.9773]
_cell_length_b [5.6575]
_cell_length_c [8.9060]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.7651]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2Hg5]
_chemical_formula_sum '[Na8 Hg20]'
_cell_volume [750.8260]
_cell_formula_units_Z [4]
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  8  0.0822  0.2788  0.1022  1.0
  Hg  Hg1  8  0.1366  0.2227  0.4541  1.0
  Hg  Hg2  8  0.2090  0.2710  0.8139  1.0
  Hg  Hg3  4  0.0000  0.2182  0.7500  1.0
]