data_[Na26Tl6]
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 [8.2746]
_cell_length_b [11.2783]
_cell_length_c [11.2876]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Na13Tl3]
_chemical_formula_sum '[Na26 Tl6]'
_cell_volume [1053.3927]
_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  8  0.2410  0.2399  0.7527  1.0
  Na  Na1  4  0.0000  0.2346  0.0019  1.0
  Na  Na2  4  0.2446  0.0000  0.5066  1.0
  Na  Na3  4  0.5000  0.2298  0.0022  1.0
  Na  Na4  2  0.0000  0.0000  0.2325  1.0
  Na  Na5  2  0.5000  0.0000  0.2292  1.0
  Na  Na6  2  0.5000  0.0000  0.7693  1.0
  Tl  Tl7  4  0.2378  0.0000  0.9936  1.0
  Tl  Tl8  2  0.0000  0.0000  0.7500  1.0
]