data_[Na10Tl2F16]
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 [I-4]
_cell_length_a [7.0934]
_cell_length_b [7.0934]
_cell_length_c [7.0283]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Na5TlF8]
_chemical_formula_sum '[Na10 Tl2 F16]'
_cell_volume [353.6392]
_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  8  0.1096  0.2534  0.1352  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Tl  Tl2  2  0.0000  0.5000  0.7500  1.0
  F  F3  8  0.0558  0.3207  0.4576  1.0
  F  F4  8  0.0574  0.1968  0.8176  1.0
]