data_[Na1Li5Hg4]
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 [P4/mmm]
_cell_length_a [3.4171]
_cell_length_b [3.4171]
_cell_length_c [17.2102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [NaLi5Hg4]
_chemical_formula_sum '[Na1 Li5 Hg4]'
_cell_volume [200.9611]
_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  1  0.0000  0.0000  0.0000  1
  Li  Li1  2  0.5000  0.5000  0.1372  1
  Li  Li2  2  0.5000  0.5000  0.3133  1
  Li  Li3  1  0.5000  0.5000  0.5000  1
  Hg  Hg4  2  0.0000  0.0000  0.2185  1
  Hg  Hg5  2  0.0000  0.0000  0.4060  1
]