data_[Li14Hg10]
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 [13.1948]
_cell_length_b [3.9689]
_cell_length_c [9.7172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.6037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li7Hg5]
_chemical_formula_sum '[Li14 Hg10]'
_cell_volume [450.9581]
_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  0.0794  0.0000  0.7476  1.0
  Li  Li1  4  0.1012  0.5000  0.2565  1.0
  Li  Li2  4  0.1603  0.5000  0.0001  1.0
  Li  Li3  2  0.0000  0.5000  0.5000  1.0
  Hg  Hg4  4  0.1471  0.0000  0.4809  1.0
  Hg  Hg5  4  0.2363  0.5000  0.7706  1.0
  Hg  Hg6  2  0.0000  0.0000  0.0000  1.0
]