data_[Cs4Al4Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Al  1.6100  1.2500  0.6750
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.4779]
_cell_length_b [7.9361]
_cell_length_c [9.5848]
_cell_angle_alpha [106.9297]
_cell_angle_beta [102.6562]
_cell_angle_gamma [94.9592]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAlPb]
_chemical_formula_sum '[Cs4 Al4 Pb4]'
_cell_volume [453.9403]
_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  2  0.2483  0.7888  0.4124  1
  Cs  Cs1  2  0.3773  0.5570  0.7776  1
  Al  Al2  2  0.0106  0.3322  0.0058  1
  Al  Al3  2  0.2960  0.9523  0.0764  1
  Pb  Pb4  2  0.1315  0.2208  0.2787  1
  Pb  Pb5  2  0.2496  0.0965  0.8269  1
]