data_[Li8Hg4]
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 [11.7148]
_cell_length_b [3.3191]
_cell_length_c [6.0854]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Hg]
_chemical_formula_sum '[Li8 Hg4]'
_cell_volume [227.6296]
_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  4  0.0022  0.5000  0.7412  1.0
  Li  Li1  4  0.1733  0.0000  0.1018  1.0
  Hg  Hg2  4  0.1591  0.0000  0.6026  1.0
]