data_[K16Na4Tl4]
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 [C2/c]
_cell_length_a [11.7030]
_cell_length_b [17.7056]
_cell_length_c [6.7674]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1331]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K4NaTl]
_chemical_formula_sum '[K16 Na4 Tl4]'
_cell_volume [1332.6245]
_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  8  0.1145  0.1788  0.0674  1.0
  K  K1  8  0.2086  0.4233  0.3524  1.0
  Na  Na2  4  0.0000  0.3776  0.7500  1.0
  Tl  Tl3  4  0.0000  0.0013  0.7500  1.0
]