data_[Ce16Cu24Si8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.0667]
_cell_length_b [8.6676]
_cell_length_c [14.9435]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2Cu3Si]
_chemical_formula_sum '[Ce16 Cu24 Si8]'
_cell_volume [915.3101]
_cell_formula_units_Z [8]
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
[
  Ce  Ce0  8  0.2303  0.0000  0.0000  1
  Ce  Ce1  8  0.2500  0.2500  0.2500  1
  Cu  Cu2  16  0.0000  0.2421  0.4156  1
  Cu  Cu3  8  0.0000  0.0000  0.1701  1
  Si  Si4  8  0.0000  0.0000  0.3355  1
]