data_[Na4Li4Hg12]
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 [13.1355]
_cell_length_b [6.3227]
_cell_length_c [5.9453]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.0603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLiHg3]
_chemical_formula_sum '[Na4 Li4 Hg12]'
_cell_volume [486.1793]
_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  0.0987  0.5000  0.7824  1.0
  Li  Li1  2  0.0000  0.0000  0.0000  1.0
  Li  Li2  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg3  8  0.1367  0.2536  0.3043  1.0
  Hg  Hg4  4  0.1812  0.0000  0.8313  1.0
]