data_[Na1Al2Tl3F9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.8010]
_cell_length_b [5.8010]
_cell_length_c [7.8982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [NaAl2Tl3F9]
_chemical_formula_sum '[Na1 Al2 Tl3 F9]'
_cell_volume [230.1789]
_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
  Al  Al1  2  0.3333  0.6667  0.1413  1
  Tl  Tl2  2  0.3333  0.6667  0.5983  1
  Tl  Tl3  1  0.0000  0.0000  0.0000  1
  F  F4  6  0.1843  0.8157  0.2645  1
  F  F5  3  0.0000  0.5000  0.0000  1
]