data_[K4Na8Tl40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.5892]
_cell_length_b [15.7804]
_cell_length_c [16.2270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [K(NaTl5)2]
_chemical_formula_sum '[K4 Na8 Tl40]'
_cell_volume [1687.2909]
_cell_formula_units_Z [4]
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
[
  K  K0  4  0.0000  0.0000  0.0000  1.0
  Na  Na1  8  0.2500  0.2500  0.0000  1.0
  Tl  Tl2  16  0.0000  0.1104  0.3907  1.0
  Tl  Tl3  16  0.0000  0.1785  0.1786  1.0
  Tl  Tl4  8  0.2500  0.0000  0.2500  1.0
]