data_[Li8Tl4F16]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [7.9632]
_cell_length_b [7.9632]
_cell_length_c [5.8688]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Li2TlF4]
_chemical_formula_sum '[Li8 Tl4 F16]'
_cell_volume [372.1508]
_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  8  0.0861  0.7430  0.8559  1
  Tl  Tl1  2  0.0000  0.0000  0.5000  1
  Tl  Tl2  2  0.0000  0.5000  0.2500  1
  F  F3  8  0.0344  0.3236  0.5731  1
  F  F4  8  0.0589  0.2329  0.1190  1
]