data_[K18Na36Tl6]
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 [R-3]
_cell_length_a [12.2005]
_cell_length_b [12.2005]
_cell_length_c [20.7207]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [K3Na6Tl]
_chemical_formula_sum '[K18 Na36 Tl6]'
_cell_volume [2671.0764]
_cell_formula_units_Z [6]
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  18  0.0850  0.5394  0.3220  1
  Na  Na1  18  0.0192  0.5036  0.1305  1
  Na  Na2  18  0.0903  0.9002  0.8731  1
  Tl  Tl3  3  -0.0000  0.0000  0.5000  1
  Tl  Tl4  3  0.0000  0.0000  0.0000  1
]