data_[Li2Tl6F8]
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 [Pmn2_1]
_cell_length_a [8.4470]
_cell_length_b [6.1624]
_cell_length_c [6.4875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [LiTl3F4]
_chemical_formula_sum '[Li2 Tl6 F8]'
_cell_volume [337.6941]
_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  0.7431  0.0064  1
  Tl  Tl1  4  0.2299  0.2745  0.9873  1
  Tl  Tl2  2  0.0000  0.2209  0.4679  1
  F  F3  4  0.1937  0.7059  0.8584  1
  F  F4  2  0.0000  0.0149  0.1432  1
  F  F5  2  0.0000  0.4863  0.1758  1
]