data_[Na20Li4Hg4]
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/c]
_cell_length_a [8.8074]
_cell_length_b [9.1748]
_cell_length_c [11.4780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.1630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na5LiHg]
_chemical_formula_sum '[Na20 Li4 Hg4]'
_cell_volume [890.8301]
_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  0.1187  0.3612  0.0313  1.0
  Na  Na1  8  0.2043  0.2179  0.3396  1.0
  Na  Na2  4  0.0000  0.1268  0.7500  1.0
  Li  Li3  4  0.0000  0.0000  0.0000  1.0
  Hg  Hg4  4  0.0000  0.4774  0.7500  1.0
]