data_[Ce4Al4B4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Al  1.6100  1.2500  0.6750
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.3182]
_cell_length_b [8.3146]
_cell_length_c [6.5717]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.7575]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [CeAlBO5]
_chemical_formula_sum '[Ce4 Al4 B4 O20]'
_cell_volume [322.8248]
_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  0.0000  0.3407  0.2500  1.0
  Al  Al1  4  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.3149  0.7500  1.0
  O  O3  8  0.1031  0.2120  0.6239  1.0
  O  O4  8  0.1676  0.4255  0.9126  1.0
  O  O5  4  0.0000  0.0801  0.2500  1.0
]