data_[Na16Li2Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.2705]
_cell_length_b [14.2099]
_cell_length_c [5.7924]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7895]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na8LiHg2]
_chemical_formula_sum '[Na16 Li2 Hg4]'
_cell_volume [713.3703]
_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  8  0.2006  0.1217  0.1042  1.0
  Na  Na1  4  0.0000  0.2299  0.5000  1.0
  Na  Na2  4  0.1149  0.5000  0.3096  1.0
  Li  Li3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.0000  0.3126  0.0000  1.0
]