data_[Li16Tl4Hg2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tl  1.6200  1.9000  1.3325
  Hg  2.0000  1.5000  1.2450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8209]
_cell_length_b [4.3455]
_cell_length_c [6.7767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.6227]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li8Tl2Hg]
_chemical_formula_sum '[Li16 Tl4 Hg2]'
_cell_volume [415.9652]
_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  4  0.0359  0.0000  0.7324  1.0
  Li  Li1  4  0.0953  0.5000  0.4411  1.0
  Li  Li2  4  0.1417  0.0000  0.1890  1.0
  Li  Li3  4  0.1746  0.5000  0.9083  1.0
  Tl  Tl4  4  0.2170  0.0000  0.6506  1.0
  Hg  Hg5  2  0.0000  0.5000  0.0000  1.0
]