data_[Ce16Be8Si24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Be  1.5700  1.0500  0.5900
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [7.8896]
_cell_length_b [8.4763]
_cell_length_c [13.6746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2BeSi3]
_chemical_formula_sum '[Ce16 Be8 Si24]'
_cell_volume [914.4833]
_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  0.0000  0.2460  0.5000  1
  Ce  Ce1  8  0.2500  0.2500  0.2500  1
  Be  Be2  8  0.0000  0.0000  0.1666  1
  Si  Si3  16  0.2396  0.0000  0.0863  1
  Si  Si4  8  0.0000  0.0000  0.3271  1
]