data_[Li14Hg6]
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 [C2/m]
_cell_length_a [15.0119]
_cell_length_b [4.2878]
_cell_length_c [5.7982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2864]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Hg3]
_chemical_formula_sum '[Li14 Hg6]'
_cell_volume [358.2422]
_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  4  0.1011  0.5000  0.8226  1.0
  Li  Li1  4  0.1057  0.5000  0.3204  1.0
  Li  Li2  4  0.2003  0.0000  0.1278  1.0
  Li  Li3  2  0.0000  0.0000  0.5000  1.0
  Hg  Hg4  4  0.1955  0.0000  0.6341  1.0
  Hg  Hg5  2  0.0000  0.0000  0.0000  1.0
]