data_[La2B24H66Cl4O22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P3c1]
_cell_length_a [7.9089]
_cell_length_b [7.9089]
_cell_length_c [22.1982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [158]
_chemical_formula_structural [LaB12H33Cl2O11]
_chemical_formula_sum '[La2 B24 H66 Cl4 O22]'
_cell_volume [1202.4877]
_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
[
  La  La0  2  0.0000  0.0000  0.2500  1
  B  B1  6  0.4572  0.1230  0.0144  1
  B  B2  6  0.4573  0.1230  0.4858  1
  B  B3  6  0.5364  0.2042  0.9392  1
  B  B4  6  0.5366  0.2043  0.5609  1
  H  H5  6  0.0254  0.3323  0.4755  1
  H  H6  6  0.0254  0.3323  0.0248  1
  H  H7  6  0.0796  0.4235  0.7157  1
  H  H8  6  0.0850  0.4257  0.7847  1
  H  H9  6  0.0973  0.3638  0.3395  1
  H  H10  6  0.0974  0.3637  0.1608  1
  H  H11  6  0.1881  0.5939  0.9998  1
  H  H12  6  0.2820  0.0947  0.1343  1
  H  H13  6  0.2831  0.0953  0.3657  1
  H  H14  6  0.4448  0.1104  0.8961  1
  H  H15  6  0.4450  0.1106  0.6039  1
  Cl  Cl16  2  0.3333  0.6667  0.6640  1
  Cl  Cl17  2  0.3333  0.6667  0.8363  1
  O  O18  6  0.0091  0.2220  0.3360  1
  O  O19  6  0.0097  0.2218  0.1641  1
  O  O20  6  0.0179  0.3370  0.7506  1
  O  O21  2  0.3333  0.6667  0.0005  1
  O  O22  2  0.6667  0.3333  0.7687  1
]