data_[Ce4B32Cl4O80]
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
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.3619]
_cell_length_b [18.5930]
_cell_length_c [13.0162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.9688]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CeB8ClO20]
_chemical_formula_sum '[Ce4 B32 Cl4 O80]'
_cell_volume [1550.9223]
_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  0.4979  0.2023  0.8402  1
  B  B1  4  0.0307  0.2116  0.4778  1
  B  B2  4  0.0748  0.7457  0.8880  1
  B  B3  4  0.1104  0.2064  0.8447  1
  B  B4  4  0.1331  0.5986  0.1521  1
  B  B5  4  0.2303  0.7107  0.2848  1
  B  B6  4  0.3206  0.0165  0.7447  1
  B  B7  4  0.3437  0.5280  0.5338  1
  B  B8  4  0.3931  0.2437  0.0789  1
  Cl  Cl9  4  0.3710  0.1100  0.3599  1
  O  O10  4  0.0076  0.6357  0.0335  1
  O  O11  4  0.0203  0.1382  0.8352  1
  O  O12  4  0.0241  0.7403  0.1528  1
  O  O13  4  0.1033  0.2178  0.7302  1
  O  O14  4  0.1042  0.7492  0.5041  1
  O  O15  4  0.1552  0.1104  0.2404  1
  O  O16  4  0.1557  0.5250  0.1486  1
  O  O17  4  0.1641  0.0008  0.9228  1
  O  O18  4  0.2335  0.6348  0.2707  1
  O  O19  4  0.2382  0.7304  0.3969  1
  O  O20  4  0.2513  0.2281  0.5893  1
  O  O21  4  0.3175  0.0912  0.7291  1
  O  O22  4  0.3324  0.2141  0.9619  1
  O  O23  4  0.3603  0.6159  0.7007  1
  O  O24  4  0.3606  0.6024  0.5323  1
  O  O25  4  0.3978  0.1217  0.4795  1
  O  O26  4  0.4055  0.7461  0.3028  1
  O  O27  4  0.4709  0.1773  0.3468  1
  O  O28  4  0.4844  0.0493  0.3698  1
  O  O29  4  0.4969  0.5134  0.3621  1
]