data_[Pb9Cl18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [4.4051]
_cell_length_b [4.4051]
_cell_length_c [55.5114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [PbCl2]
_chemical_formula_sum '[Pb9 Cl18]'
_cell_volume [932.8603]
_cell_formula_units_Z [9]
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
[
  Pb  Pb0  6  0.0000  0.0000  0.4441  1.0
  Pb  Pb1  3  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  6  0.0000  0.0000  0.0841  1.0
  Cl  Cl3  6  0.0000  0.0000  0.1959  1.0
  Cl  Cl4  6  0.0000  0.0000  0.3067  1.0
]