data_[Li16Zn4Hg2]
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 [7.4606]
_cell_length_b [12.4201]
_cell_length_c [4.7274]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.4784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Zn2Hg]
_chemical_formula_sum '[Li16 Zn4 Hg2]'
_cell_volume [398.6745]
_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  0.2005  0.1163  0.1139  1.0
  Li  Li1  4  0.0000  0.2232  0.5000  1.0
  Li  Li2  4  0.1075  0.5000  0.3136  1.0
  Zn  Zn3  4  0.0000  0.3124  0.0000  1.0
  Hg  Hg4  2  0.0000  0.0000  0.5000  1.0
]