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 [6.6198]
_cell_length_b [7.9512]
_cell_length_c [9.5561]
_cell_angle_alpha [107.3021]
_cell_angle_beta [102.2578]
_cell_angle_gamma [95.3284]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [CsAlPb]
_chemical_formula_sum '[Cs4 Al4 Pb4]'
_cell_volume [462.6754]
_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  0.2480  0.7896  0.4119  1.0
  Cs  Cs1  2  0.3773  0.5571  0.7777  1.0
  Al  Al2  2  0.0082  0.3309  0.0033  1.0
  Al  Al3  2  0.2982  0.9497  0.0782  1.0
  Pb  Pb4  2  0.1306  0.2185  0.2771  1.0
  Pb  Pb5  2  0.2487  0.0956  0.8283  1.0
]