data_[Na4Li2Tl2F12]
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_1/c]
_cell_length_a [5.5913]
_cell_length_b [5.7615]
_cell_length_c [9.7856]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1822]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2LiTlF6]
_chemical_formula_sum '[Na4 Li2 Tl2 F12]'
_cell_volume [266.8010]
_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
[
  Na  Na0  4  0.2872  0.5600  0.7587  1.0
  Li  Li1  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl2  2  0.0000  0.0000  0.5000  1.0
  F  F3  4  0.1188  0.5585  0.2507  1.0
  F  F4  4  0.2813  0.1963  0.0733  1.0
  F  F5  4  0.3758  0.7091  0.0633  1.0
]