data_[Ce4B28I4O60]
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
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2146]
_cell_length_b [17.4781]
_cell_length_c [12.7834]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4530]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeB7IO15]
_chemical_formula_sum '[Ce4 B28 I4 O60]'
_cell_volume [1417.1834]
_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  0.4340  0.6838  0.7525  1
  B  B1  4  0.0446  0.7284  0.9959  1
  B  B2  4  0.0676  0.1955  0.3653  1
  B  B3  4  0.0808  0.0556  0.7270  1
  B  B4  4  0.0969  0.5844  0.2849  1
  B  B5  4  0.1515  0.2013  0.7478  1
  B  B6  4  0.1953  0.7122  0.3921  1
  B  B7  4  0.4299  0.2489  0.4763  1
  I  I8  4  0.3945  0.0601  0.1942  1
  O  O9  4  0.0137  0.2363  0.2397  1
  O  O10  4  0.0268  0.0477  0.6026  1
  O  O11  4  0.0482  0.1143  0.3429  1
  O  O12  4  0.0845  0.7245  0.1176  1
  O  O13  4  0.0998  0.1287  0.7730  1
  O  O14  4  0.1216  0.5062  0.3080  1
  O  O15  4  0.1373  0.2045  0.6266  1
  O  O16  4  0.1990  0.6091  0.6580  1
  O  O17  4  0.2075  0.7381  0.5069  1
  O  O18  4  0.2215  0.6307  0.3970  1
  O  O19  4  0.2839  0.2176  0.4840  1
  O  O20  4  0.3668  0.7478  0.9020  1
  O  O21  4  0.3761  0.2208  0.8590  1
  O  O22  4  0.4750  0.5384  0.6840  1
  O  O23  4  0.4892  0.0828  0.6346  1
]