data_[Ce16B24C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Fmmm]
_cell_length_a [6.1513]
_cell_length_b [8.5858]
_cell_length_c [10.6483]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [69]
_chemical_formula_structural [Ce2B3C]
_chemical_formula_sum '[Ce16 B24 C8]'
_cell_volume [562.3820]
_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  0.2454  0.0000  1.0
  Ce  Ce1  8  0.2500  0.2500  0.2500  1.0
  B  B2  16  0.2379  0.0000  0.4133  1.0
  B  B3  8  0.0000  0.0000  0.1740  1.0
  C  C4  8  0.0000  0.0000  0.3335  1.0
]