data_[K2Na4Tl16]
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 [Immm]
_cell_length_a [5.7851]
_cell_length_b [7.3577]
_cell_length_c [17.0731]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [K(NaTl4)2]
_chemical_formula_sum '[K2 Na4 Tl16]'
_cell_volume [726.7078]
_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
[
  K  K0  2  0.0000  0.5000  0.5000  1.0
  Na  Na1  4  0.0000  0.0000  0.3188  1.0
  Tl  Tl2  8  0.0000  0.2281  0.1406  1.0
  Tl  Tl3  4  0.0000  0.5000  0.2951  1.0
  Tl  Tl4  4  0.2486  0.0000  0.5000  1.0
]