data_[Li6Al6Pb12Cl36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Al  1.6100  1.2500  0.6750
  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 [6.7975]
_cell_length_b [6.7975]
_cell_length_c [35.2299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [LiAl(PbCl3)2]
_chemical_formula_sum '[Li6 Al6 Pb12 Cl36]'
_cell_volume [1409.7380]
_cell_formula_units_Z [6]
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
[
  Li  Li0  3  -0.0000  -0.0000  0.5000  1
  Li  Li1  3  0.0000  0.0000  0.0000  1
  Al  Al2  6  0.0000  0.0000  0.4148  1
  Pb  Pb3  6  0.0000  0.0000  0.1202  1
  Pb  Pb4  6  0.0000  0.0000  0.2997  1
  Cl  Cl5  18  0.0122  0.5061  0.2926  1
  Cl  Cl6  18  0.0130  0.5065  0.1189  1
]