data_[Li8Hg20]
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/c]
_cell_length_a [14.6125]
_cell_length_b [5.4870]
_cell_length_c [7.9357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.5630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li2Hg5]
_chemical_formula_sum '[Li8 Hg20]'
_cell_volume [632.1112]
_cell_formula_units_Z [4]
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  8  0.0842  0.3264  0.0969  1.0
  Hg  Hg1  8  0.1186  0.1714  0.4446  1.0
  Hg  Hg2  8  0.2186  0.3554  0.8225  1.0
  Hg  Hg3  4  0.0000  0.2466  0.7500  1.0
]