data_[Li2La1Tl1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.9709]
_cell_length_b [5.3043]
_cell_length_c [7.8665]
_cell_angle_alpha [83.0604]
_cell_angle_beta [89.0113]
_cell_angle_gamma [80.5488]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2LaTlF8]
_chemical_formula_sum '[Li2 La1 Tl1 F8]'
_cell_volume [162.2439]
_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  2  0.4352  0.4494  0.2007  1.0
  La  La1  1  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.0000  1.0
  F  F3  2  0.0720  0.7445  0.7897  1.0
  F  F4  2  0.0925  0.7501  0.2573  1.0
  F  F5  2  0.4374  0.2531  0.9859  1.0
  F  F6  2  0.4401  0.2527  0.4416  1.0
]