data_[Na12Li4Hg8]
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 [17.9239]
_cell_length_b [3.3586]
_cell_length_c [12.2544]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4786]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na3LiHg2]
_chemical_formula_sum '[Na12 Li4 Hg8]'
_cell_volume [686.4705]
_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  4  0.0295  0.0000  0.1813  1.0
  Na  Na1  4  0.1648  0.5000  0.0443  1.0
  Na  Na2  4  0.2413  0.0000  0.6382  1.0
  Li  Li3  4  0.0613  0.5000  0.6286  1.0
  Hg  Hg4  4  0.1038  0.5000  0.4290  1.0
  Hg  Hg5  4  0.1489  0.0000  0.8146  1.0
]