data_[Al12H36C12Cl24O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
  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 [10.3399]
_cell_length_b [13.7522]
_cell_length_c [10.6114]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.3745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlH3CCl2O]
_chemical_formula_sum '[Al12 H36 C12 Cl24 O12]'
_cell_volume [1508.8621]
_cell_formula_units_Z [12]
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
[
  Al  Al0  4  0.1518  0.5647  0.3612  1
  Al  Al1  4  0.1973  0.1311  0.7058  1
  Al  Al2  4  0.3965  0.5455  0.1855  1
  H  H3  4  0.1273  0.0010  0.4853  1
  H  H4  4  0.1588  0.1778  0.9820  1
  H  H5  4  0.2212  0.0683  0.0508  1
  H  H6  4  0.2334  0.7376  0.7771  1
  H  H7  4  0.2453  0.0885  0.4322  1
  H  H8  4  0.2868  0.5376  0.9415  1
  H  H9  4  0.3270  0.1455  0.9614  1
  H  H10  4  0.3341  0.7331  0.4115  1
  H  H11  4  0.4038  0.7437  0.2577  1
  C  C12  4  0.2280  0.1182  0.9708  1
  C  C13  4  0.2298  0.0207  0.4840  1
  C  C14  4  0.3181  0.7216  0.3106  1
  Cl  Cl15  4  0.0044  0.0905  0.2637  1
  Cl  Cl16  4  0.0133  0.1623  0.6269  1
  Cl  Cl17  4  0.1334  0.6152  0.5482  1
  Cl  Cl18  4  0.3134  0.2434  0.2237  1
  Cl  Cl19  4  0.4709  0.5353  0.7038  1
  Cl  Cl20  4  0.4751  0.6378  0.0459  1
  O  O21  4  0.1940  0.0643  0.8546  1
  O  O22  4  0.2743  0.0346  0.6152  1
  O  O23  4  0.2952  0.6173  0.2895  1
]