data_[Cs6Ta18Pb3Cl54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ta  1.5000  1.4500  0.8200
  Pb  2.3300  1.8000  1.1225
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.5491]
_cell_length_b [9.5491]
_cell_length_c [26.4069]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Cs2Ta6PbCl18]
_chemical_formula_sum '[Cs6 Ta18 Pb3 Cl54]'
_cell_volume [2085.3102]
_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  0.2768  1
  Ta  Ta1  18  0.0351  0.1902  0.5446  1
  Pb  Pb2  3  0.0000  0.0000  0.0000  1
  Cl  Cl3  18  0.0242  0.2608  0.9358  1
  Cl  Cl4  18  0.0414  0.2271  0.3931  1
  Cl  Cl5  18  0.0639  0.2561  0.1661  1
]