data_[Ce4Be24]
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
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.6941]
_cell_length_b [4.4349]
_cell_length_c [9.4303]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CeBe6]
_chemical_formula_sum '[Ce4 Be24]'
_cell_volume [321.7889]
_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
[
  Ce  Ce0  4  0.2359  0.7500  0.0547  1
  Be  Be1  8  0.0645  0.5050  0.3109  1
  Be  Be2  4  0.0481  0.2500  0.1090  1
  Be  Be3  4  0.0699  0.7500  0.5221  1
  Be  Be4  4  0.1293  0.2500  0.8508  1
  Be  Be5  4  0.1972  0.7500  0.7443  1
]