data_[Li6Ce8B24H96Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ce  1.1200  1.8500  1.0800
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [16.2711]
_cell_length_b [11.5768]
_cell_length_c [11.5253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.1962]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Li3Ce4B12(H12Cl)4]
_chemical_formula_sum '[Li6 Ce8 B24 H96 Cl8]'
_cell_volume [1556.5096]
_cell_formula_units_Z [2]
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
[
  Li  Li0  4  0.0008  0.4944  0.2456  1
  Li  Li1  2  0.0000  0.7603  0.5000  1
  Ce  Ce2  4  0.1401  0.1424  0.9944  1
  Ce  Ce3  4  0.1446  0.8562  0.2872  1
  B  B4  4  0.1181  0.3642  0.9933  1
  B  B5  4  0.1184  0.6343  0.2431  1
  B  B6  4  0.1185  0.8754  0.4846  1
  B  B7  4  0.1213  0.1211  0.7585  1
  B  B8  4  0.1339  0.6227  0.7556  1
  B  B9  4  0.1346  0.3827  0.5098  1
  H  H10  4  0.0268  0.3186  0.8723  1
  H  H11  4  0.0270  0.6808  0.1825  1
  H  H12  4  0.0271  0.8453  0.3483  1
  H  H13  4  0.0295  0.6173  0.6462  1
  H  H14  4  0.0306  0.1515  0.7173  1
  H  H15  4  0.0311  0.3898  0.4138  1
  H  H16  4  0.1117  0.5302  0.2285  1
  H  H17  4  0.1118  0.4685  0.9946  1
  H  H18  4  0.1122  0.8840  0.5829  1
  H  H19  4  0.1129  0.1126  0.6468  1
  H  H20  4  0.1438  0.3216  0.1131  1
  H  H21  4  0.1452  0.9691  0.4680  1
  H  H22  4  0.1460  0.6768  0.1760  1
  H  H23  4  0.1503  0.0298  0.8360  1
  H  H24  4  0.1635  0.6946  0.8578  1
  H  H25  4  0.1647  0.3082  0.4685  1
  H  H26  4  0.1744  0.5282  0.8229  1
  H  H27  4  0.1752  0.3552  0.6449  1
  H  H28  4  0.1758  0.6493  0.7024  1
  H  H29  4  0.1813  0.4745  0.5264  1
  H  H30  4  0.1917  0.3343  0.9943  1
  H  H31  4  0.1919  0.6636  0.3874  1
  H  H32  4  0.1921  0.8037  0.5280  1
  H  H33  4  0.1936  0.1941  0.8609  1
  Cl  Cl34  4  0.1064  0.1067  0.2130  1
  Cl  Cl35  4  0.1065  0.8931  0.9992  1
]