data_[Li6Hg14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [P6_3mc]
_cell_length_a [9.6864]
_cell_length_b [9.6864]
_cell_length_c [5.6500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [186]
_chemical_formula_structural [Li3Hg7]
_chemical_formula_sum '[Li6 Hg14]'
_cell_volume [459.0913]
_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  6  0.1972  0.3943  0.8744  1.0
  Hg  Hg1  6  0.0775  0.5388  0.2087  1.0
  Hg  Hg2  6  0.1138  0.2275  0.3506  1.0
  Hg  Hg3  2  0.3333  0.6667  0.6068  1.0
]