data_[Li18Zn3Hg36]
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 [R-3]
_cell_length_a [10.6421]
_cell_length_b [10.6421]
_cell_length_c [12.4814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Li6ZnHg12]
_chemical_formula_sum '[Li18 Zn3 Hg36]'
_cell_volume [1224.1861]
_cell_formula_units_Z [3]
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  18  0.0209  0.4235  0.7129  1.0
  Zn  Zn1  3  0.0000  0.0000  0.0000  1.0
  Hg  Hg2  18  0.0271  0.1918  0.8350  1.0
  Hg  Hg3  18  0.0458  0.8464  0.3999  1.0
]