data_[Na4Li4Tl4F12]
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 [C2/m]
_cell_length_a [12.0148]
_cell_length_b [4.5394]
_cell_length_c [7.8412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6952]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLiTlF3]
_chemical_formula_sum '[Na4 Li4 Tl4 F12]'
_cell_volume [409.6347]
_cell_formula_units_Z [4]
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  0.1348  0.5000  0.6092  1.0
  Li  Li1  4  0.0469  0.0000  0.3635  1.0
  Tl  Tl2  4  0.1604  0.5000  0.1145  1.0
  F  F3  4  0.0347  0.5000  0.3140  1.0
  F  F4  4  0.1113  0.0000  0.6234  1.0
  F  F5  4  0.1741  0.0000  0.2675  1.0
]