data_[Li12Zn4Hg2]
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 [6.9682]
_cell_length_b [7.8568]
_cell_length_c [5.4117]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3559]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li6Zn2Hg]
_chemical_formula_sum '[Li12 Zn4 Hg2]'
_cell_volume [293.1337]
_cell_formula_units_Z [2]
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  8  0.1667  0.3331  0.1673  1.0
  Li  Li1  4  0.0000  0.1647  0.5000  1.0
  Zn  Zn2  4  0.1577  0.5000  0.6571  1.0
  Hg  Hg3  2  0.0000  0.0000  0.0000  1.0
]