data_[Cs32Si32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [I4_1/acd]
_cell_length_a [11.4742]
_cell_length_b [11.4742]
_cell_length_c [18.6691]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [142]
_chemical_formula_structural [CsSi]
_chemical_formula_sum '[Cs32 Si32]'
_cell_volume [2457.9184]
_cell_formula_units_Z [32]
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  16  0.1212  0.1212  0.7500  1
  Cs  Cs1  16  0.1401  0.2500  0.3750  1
  Si  Si2  32  0.0569  0.0899  0.5462  1
]