data_[Li4Sn4Hg12]
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/m]
_cell_length_a [13.5914]
_cell_length_b [5.5634]
_cell_length_c [6.3739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.2292]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LiSnHg3]
_chemical_formula_sum '[Li4 Sn4 Hg12]'
_cell_volume [481.8469]
_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  0.1834  0.0000  0.5058  1.0
  Sn  Sn1  4  0.0995  0.5000  0.2315  1.0
  Hg  Hg2  4  0.0067  0.0000  0.2613  1.0
  Hg  Hg3  4  0.1342  0.5000  0.6985  1.0
  Hg  Hg4  4  0.1923  0.0000  0.9650  1.0
]