data_[Li4Tl6Hg8]
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 [10.7470]
_cell_length_b [5.1169]
_cell_length_c [9.2273]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.4166]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Tl3Hg4]
_chemical_formula_sum '[Li4 Tl6 Hg8]'
_cell_volume [465.6304]
_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  0.1887  0.5000  0.3690  1.0
  Tl  Tl1  4  0.1327  0.5000  0.6898  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  4  0.0677  0.0000  0.3724  1.0
  Hg  Hg4  4  0.2028  0.5000  0.0744  1.0
]