data_[Al2H38C16N4Cl4]
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
  N  3.0400  0.6500  0.6300
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [7.0804]
_cell_length_b [9.0857]
_cell_length_c [9.9314]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3182]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [AlH19C8(NCl)2]
_chemical_formula_sum '[Al2 H38 C16 N4 Cl4]'
_cell_volume [609.9266]
_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
[
  Al  Al0  2  0.0954  0.4165  0.6636  1
  H  H1  2  0.0832  0.8106  0.9558  1
  H  H2  2  0.0921  0.5510  0.0548  1
  H  H3  2  0.1393  0.2342  0.2377  1
  H  H4  2  0.1736  0.0692  0.1525  1
  H  H5  2  0.2032  0.8307  0.2047  1
  H  H6  2  0.2054  0.8505  0.8279  1
  H  H7  2  0.2218  0.1271  0.4654  1
  H  H8  2  0.2257  0.6888  0.3323  1
  H  H9  2  0.2369  0.7533  0.5754  1
  H  H10  2  0.2369  0.9433  0.6226  1
  H  H11  2  0.2526  0.4171  0.0162  1
  H  H12  2  0.3452  0.8280  0.0079  1
  H  H13  2  0.3529  0.5709  0.1255  1
  H  H14  2  0.4093  0.0651  0.3916  1
  H  H15  2  0.4319  0.8083  0.3425  1
  H  H16  2  0.4386  0.1251  0.0344  1
  H  H17  2  0.4485  0.8670  0.5838  1
  H  H18  2  0.4494  0.6631  0.7832  1
  H  H19  2  0.4550  0.4798  0.8485  1
  C  C20  2  0.1199  0.1136  0.2386  1
  C  C21  2  0.2164  0.7875  0.9243  1
  C  C22  2  0.2336  0.5354  0.0322  1
  C  C23  2  0.2386  0.6224  0.8999  1
  C  C24  2  0.2504  0.0598  0.3815  1
  C  C25  2  0.2698  0.8013  0.3158  1
  C  C26  2  0.2861  0.8640  0.5569  1
  C  C27  2  0.4377  0.5966  0.8727  1
  N  N28  2  0.0830  0.5716  0.7744  1
  N  N29  2  0.1978  0.9039  0.4065  1
  Cl  Cl30  2  0.2000  0.4471  0.4820  1
  Cl  Cl31  2  0.2183  0.2101  0.7576  1
]