data_[Li2Ag4Hg12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ag  1.9300  1.6000  1.0867
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.9121]
_cell_length_b [6.6344]
_cell_length_c [4.7559]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6386]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li(AgHg3)2]
_chemical_formula_sum '[Li2 Ag4 Hg12]'
_cell_volume [450.8166]
_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  2  0.0000  0.0000  0.0000  1
  Ag  Ag1  4  0.1651  0.5000  0.6555  1
  Hg  Hg2  8  0.1622  0.2433  0.1539  1
  Hg  Hg3  4  0.0000  0.2362  0.5000  1
]