data_[Li12Zn4Hg4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Zn  1.6500  1.3500  0.8800
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8876]
_cell_length_b [4.5029]
_cell_length_c [5.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3ZnHg]
_chemical_formula_sum '[Li12 Zn4 Hg4]'
_cell_volume [337.8379]
_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
[
  Li  Li0  4  0.0004  0.0000  0.7685  1.0
  Li  Li1  4  0.0996  0.5000  0.6897  1.0
  Li  Li2  4  0.1954  0.0000  0.5338  1.0
  Zn  Zn3  4  0.2006  0.0000  0.0288  1.0
  Hg  Hg4  4  0.1059  0.5000  0.1972  1.0
]