data_[Na4Tl2F6]
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 [Pmc2_1]
_cell_length_a [3.3327]
_cell_length_b [9.6909]
_cell_length_c [6.0604]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [Na2TlF3]
_chemical_formula_sum '[Na4 Tl2 F6]'
_cell_volume [195.7298]
_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  0.2399  0.5031  1
  Na  Na1  2  0.5000  0.4802  0.0105  1
  Tl  Tl2  2  0.0000  0.1345  0.0014  1
  F  F3  2  0.0000  0.4062  0.7590  1
  F  F4  2  0.5000  0.0947  0.6512  1
  F  F5  2  0.5000  0.3119  0.2760  1
]