data_[Na1Li1Tl2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  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 [P2/m]
_cell_length_a [5.4755]
_cell_length_b [3.8100]
_cell_length_c [7.5870]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.2723]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [NaLiTl2F8]
_chemical_formula_sum '[Na1 Li1 Tl2 F8]'
_cell_volume [157.8375]
_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
[
  Na  Na0  1  0.0000  0.0000  0.5000  1.0
  Li  Li1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.4642  0.5000  0.2444  1.0
  F  F3  2  0.2038  0.0000  0.2220  1.0
  F  F4  2  0.2543  0.5000  0.9756  1.0
  F  F5  2  0.2606  0.5000  0.4873  1.0
  F  F6  2  0.3156  0.0000  0.7358  1.0
]