data_[Cs6Na6Pb45]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [11.2778]
_cell_length_b [11.2778]
_cell_length_c [18.2063]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Na2Pb15]
_chemical_formula_sum '[Cs6 Na6 Pb45]'
_cell_volume [2005.4006]
_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  0.3418  1.0
  Na  Na1  6  0.0000  0.0000  0.1006  1.0
  Pb  Pb2  18  0.0000  0.2901  0.0000  1.0
  Pb  Pb3  18  0.0020  0.5010  0.8516  1.0
  Pb  Pb4  9  0.0000  0.5000  0.5000  1.0
]