data_[Na8Tl4F24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.3573]
_cell_length_b [11.2360]
_cell_length_c [6.5116]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Na2TlF6]
_chemical_formula_sum '[Na8 Tl4 F24]'
_cell_volume [440.2930]
_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  0.0000  0.0833  0.7500  1
  Na  Na1  4  0.0000  0.2463  0.2500  1
  Tl  Tl2  4  0.0000  0.4136  0.7500  1
  F  F3  8  0.1181  0.4187  0.1241  1
  F  F4  8  0.1199  0.2521  0.6227  1
  F  F5  8  0.1350  0.0816  0.1259  1
]