data_[Na2Tl4Se2F12]
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
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.9136]
_cell_length_b [10.0470]
_cell_length_c [6.1953]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [NaTl2SeF6]
_chemical_formula_sum '[Na2 Tl4 Se2 F12]'
_cell_volume [368.0875]
_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  0.5000  0.2360  1.0
  Tl  Tl1  4  0.0000  0.2503  0.7796  1.0
  Se  Se2  2  0.0000  0.0000  0.2701  1.0
  F  F3  4  0.0000  0.2725  0.1845  1.0
  F  F4  4  0.2320  0.0000  0.0455  1.0
  F  F5  4  0.2326  0.0000  0.4923  1.0
]