data_[Li4Tl2Hg2F16]
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 [I-4m2]
_cell_length_a [6.8526]
_cell_length_b [6.8526]
_cell_length_c [7.1240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [Li2TlHgF8]
_chemical_formula_sum '[Li4 Tl2 Hg2 F16]'
_cell_volume [334.5321]
_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  2  0.0000  0.0000  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.2500  1.0
  Tl  Tl2  2  0.0000  0.0000  0.0000  1.0
  Hg  Hg3  2  0.0000  0.5000  0.7500  1.0
  F  F4  8  0.0000  0.1869  0.7006  1.0
  F  F5  8  0.0000  0.3093  0.0621  1.0
]