data_[Li1Tl1Te1F6]
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
  Te  2.1000  1.4000  1.2933
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P3]
_cell_length_a [5.7801]
_cell_length_b [5.7801]
_cell_length_c [5.8258]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [LiTlTeF6]
_chemical_formula_sum '[Li1 Tl1 Te1 F6]'
_cell_volume [168.5635]
_cell_formula_units_Z [1]
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  1  0.6667  0.3333  0.5355  1.0
  Tl  Tl1  1  0.0000  0.0000  0.9921  1.0
  Te  Te2  1  0.3333  0.6667  0.5255  1.0
  F  F3  3  0.0478  0.4201  0.3098  1.0
  F  F4  3  0.3592  0.3308  0.6714  1.0
]