data_[Ce12Be4O24]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [9.1152]
_cell_length_b [11.4279]
_cell_length_c [5.3364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3BeO6]
_chemical_formula_sum '[Ce12 Be4 O24]'
_cell_volume [555.8783]
_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  8  0.1872  0.1108  0.9725  1.0
  Ce  Ce1  4  0.0000  0.3899  0.9303  1.0
  Be  Be2  4  0.0000  0.1949  0.5223  1.0
  O  O3  8  0.1453  0.2615  0.6682  1.0
  O  O4  8  0.1600  0.4860  0.2044  1.0
  O  O5  4  0.0000  0.0574  0.6382  1.0
  O  O6  4  0.0000  0.2139  0.2044  1.0
]