data_[Li4Tl4Hg8F24]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2123]
_cell_length_b [13.3070]
_cell_length_c [5.3277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.7923]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [LiTlHg2F6]
_chemical_formula_sum '[Li4 Tl4 Hg8 F24]'
_cell_volume [636.8949]
_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  0.0000  0.0563  0.2500  1.0
  Tl  Tl1  4  0.0000  0.2015  0.7500  1.0
  Hg  Hg2  8  0.1632  0.4054  0.5348  1.0
  F  F3  8  0.0820  0.4127  0.0424  1.0
  F  F4  8  0.1288  0.0446  0.6229  1.0
  F  F5  8  0.1519  0.1791  0.2463  1.0
]