data_[Li14Tl6Hg4]
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 [Cmmm]
_cell_length_a [4.8364]
_cell_length_b [20.7969]
_cell_length_c [4.9579]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Li7Tl3Hg2]
_chemical_formula_sum '[Li14 Tl6 Hg4]'
_cell_volume [498.6708]
_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  0.0000  0.0795  0.5000  1
  Li  Li1  4  0.0000  0.2763  0.0000  1
  Li  Li2  4  0.0000  0.4218  0.0000  1
  Li  Li3  2  0.0000  0.0000  0.0000  1
  Tl  Tl4  4  0.0000  0.3308  0.5000  1
  Tl  Tl5  2  0.0000  0.5000  0.5000  1
  Hg  Hg6  4  0.0000  0.1431  0.0000  1
]