data_[Na6Tl26]
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
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.0346]
_cell_length_b [10.8524]
_cell_length_c [10.9421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na3Tl13]
_chemical_formula_sum '[Na6 Tl26]'
_cell_volume [954.0912]
_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  4  0.2656  0.0000  0.0020  1
  Na  Na1  2  0.0000  0.0000  0.7437  1
  Tl  Tl2  8  0.2501  0.2479  0.7527  1
  Tl  Tl3  4  0.0000  0.2399  0.0007  1
  Tl  Tl4  4  0.2353  0.0000  0.4959  1
  Tl  Tl5  4  0.5000  0.2409  0.5047  1
  Tl  Tl6  2  0.0000  0.0000  0.2416  1
  Tl  Tl7  2  0.5000  0.0000  0.2568  1
  Tl  Tl8  2  0.5000  0.0000  0.7404  1
]