data_[Cs6Tb3Pb9Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tb  1.1000  1.7500  0.9815
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.0876]
_cell_length_b [10.0876]
_cell_length_c [25.3338]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Cs2Tb(PbCl4)3]
_chemical_formula_sum '[Cs6 Tb3 Pb9 Cl36]'
_cell_volume [2232.5888]
_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  0.4000  1.0
  Tb  Tb1  3  0.0000  0.0000  0.0000  1.0
  Pb  Pb2  9  0.0000  0.5000  0.5000  1.0
  Cl  Cl3  18  0.0490  0.5245  0.8639  1.0
  Cl  Cl4  18  0.0771  0.5385  0.6100  1.0
]