data_[Cs6Na9Tl36Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.1064]
_cell_length_b [8.1064]
_cell_length_c [35.5795]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Na3Tl12Pb]
_chemical_formula_sum '[Cs6 Na9 Tl36 Pb3]'
_cell_volume [2024.8342]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  6  0.0000  0.0000  0.3485  1
  Na  Na1  9  0.0000  0.5000  0.5000  1
  Tl  Tl2  18  0.0431  0.5215  0.5945  1
  Tl  Tl3  18  0.0743  0.5371  0.1190  1
  Pb  Pb4  3  0.0000  0.0000  0.0000  1
]