data_[Li15Hg1]
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 [P-6m2]
_cell_length_a [6.0127]
_cell_length_b [6.0127]
_cell_length_c [9.8226]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Li15Hg]
_chemical_formula_sum '[Li15 Hg1]'
_cell_volume [307.5383]
_cell_formula_units_Z [1]
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  0.3279  0.1639  0.2417  1
  Li  Li1  3  0.0017  0.5008  0.0000  1
  Li  Li2  3  0.5023  0.0045  0.5000  1
  Li  Li3  2  0.3333  0.6667  0.2561  1
  Li  Li4  1  0.0000  0.0000  0.5000  1
  Hg  Hg5  1  0.0000  0.0000  0.0000  1
]