data_[Na2Nb1Tl1F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nb  1.6000  1.4500  0.8200
  Tl  1.6200  1.9000  1.3325
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0393]
_cell_length_b [5.5202]
_cell_length_c [8.2336]
_cell_angle_alpha [85.0812]
_cell_angle_beta [86.6996]
_cell_angle_gamma [82.4907]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2NbTlF8]
_chemical_formula_sum '[Na2 Nb1 Tl1 F8]'
_cell_volume [225.9879]
_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  2  0.4550  0.4662  0.6999  1.0
  Nb  Nb1  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  1  0.0000  0.0000  0.5000  1.0
  F  F3  2  0.1952  0.7928  0.8420  1.0
  F  F4  2  0.2107  0.8283  0.1750  1.0
  F  F5  2  0.2534  0.2358  0.9576  1.0
  F  F6  2  0.3408  0.3034  0.4832  1.0
]