data_[Na9Tl6Pb3Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.5774]
_cell_length_b [8.5774]
_cell_length_c [20.8708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Na3Tl2PbCl8]
_chemical_formula_sum '[Na9 Tl6 Pb3 Cl24]'
_cell_volume [1329.7688]
_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
[
  Na  Na0  9  0.1693  0.3387  0.3335  1
  Tl  Tl1  3  0.0000  0.0000  0.1245  1
  Tl  Tl2  3  0.0000  0.0000  0.4972  1
  Pb  Pb3  3  0.0000  0.0000  0.8770  1
  Cl  Cl4  9  0.0121  0.5061  0.2604  1
  Cl  Cl5  9  0.1693  0.3387  0.0710  1
  Cl  Cl6  3  0.0000  0.0000  0.2591  1
  Cl  Cl7  3  0.0000  0.0000  0.7403  1
]