data_[Cs12Li4Pb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Li  0.9800  1.4500  0.9000
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.3774]
_cell_length_b [17.4475]
_cell_length_c [10.9027]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Cs3LiPb4]
_chemical_formula_sum '[Cs12 Li4 Pb16]'
_cell_volume [1403.3689]
_cell_formula_units_Z [4]
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  8  0.0000  0.3882  0.5542  1.0
  Cs  Cs1  4  0.0000  0.2319  0.2500  1.0
  Li  Li2  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  8  0.0000  0.1680  0.6080  1.0
  Pb  Pb4  8  0.2201  0.9579  0.2500  1.0
]