data_[Cs4Al4Sb4]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.5817]
_cell_length_b [4.5561]
_cell_length_c [8.8513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.2131]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CsAlSb]
_chemical_formula_sum '[Cs4 Al4 Sb4]'
_cell_volume [459.6572]
_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  0.1420  0.0000  0.5505  1.0
  Cs  Cs1  2  0.3388  0.5000  0.2685  1.0
  Al  Al2  2  0.1003  0.0000  0.9832  1.0
  Al  Al3  2  0.3305  0.0000  0.9220  1.0
  Sb  Sb4  2  0.0381  0.5000  0.1380  1.0
  Sb  Sb5  2  0.3887  0.5000  0.7672  1.0
]