data_[Li16Sn12Hg8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Sn  1.9600  1.4500  0.8300
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.8050]
_cell_length_b [10.9924]
_cell_length_c [5.2170]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.7432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li4Sn3Hg2]
_chemical_formula_sum '[Li16 Sn12 Hg8]'
_cell_volume [777.8098]
_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  0.0574  0.1252  0.0372  1.0
  Li  Li1  8  0.1121  0.3911  0.3000  1.0
  Sn  Sn2  8  0.1553  0.1263  0.5819  1.0
  Sn  Sn3  4  0.0000  0.3547  0.7500  1.0
  Hg  Hg4  8  0.2242  0.3789  0.8580  1.0
]