data_[Na2Tl2V2F12]
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
  V  1.6300  1.3500  0.7775
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [5.7843]
_cell_length_b [10.0449]
_cell_length_c [5.6864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1630]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [NaTlVF6]
_chemical_formula_sum '[Na2 Tl2 V2 F12]'
_cell_volume [330.3936]
_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  2  0.0000  0.6656  0.0000  1.0
  Tl  Tl1  2  0.0000  0.9932  0.5000  1.0
  V  V2  2  0.0000  0.3313  0.0000  1.0
  F  F3  4  0.1199  0.4710  0.1861  1.0
  F  F4  4  0.1483  0.2021  0.1895  1.0
  F  F5  4  0.2296  0.8230  0.1866  1.0
]