data_[Al4H56C48N4]
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
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [13.2758]
_cell_length_b [11.0023]
_cell_length_c [7.3372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.3376]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [AlH14C12N]
_chemical_formula_sum '[Al4 H56 C48 N4]'
_cell_volume [1054.3028]
_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
[
  Al  Al0  4  0.0709  0.0271  0.8942  1
  H  H1  4  0.0134  0.0943  0.7110  1
  H  H2  4  0.0138  0.5989  0.4562  1
  H  H3  4  0.0517  0.6767  0.0960  1
  H  H4  4  0.1072  0.7495  0.8061  1
  H  H5  4  0.1215  0.0065  0.4994  1
  H  H6  4  0.1558  0.2167  0.2342  1
  H  H7  4  0.1737  0.7481  0.1145  1
  H  H8  4  0.2236  0.0826  0.6484  1
  H  H9  4  0.2492  0.5535  0.0310  1
  H  H10  4  0.3255  0.2327  0.4362  1
  H  H11  4  0.3308  0.7380  0.2567  1
  H  H12  4  0.4657  0.0888  0.3998  1
  H  H13  4  0.4717  0.0866  0.7689  1
  H  H14  4  0.4953  0.7353  0.4739  1
  C  C15  4  0.1239  0.6959  0.1905  1
  C  C16  4  0.1928  0.5063  0.0990  1
  C  C17  4  0.1981  0.0720  0.0658  1
  C  C18  4  0.2169  0.1557  0.2090  1
  C  C19  4  0.2659  0.5916  0.3932  1
  C  C20  4  0.2801  0.5071  0.5426  1
  C  C21  4  0.3138  0.1640  0.3268  1
  C  C22  4  0.3412  0.6738  0.3716  1
  C  C23  4  0.3769  0.5051  0.6662  1
  C  C24  4  0.3915  0.0842  0.3076  1
  C  C25  4  0.4355  0.6723  0.4965  1
  C  C26  4  0.4538  0.5894  0.6394  1
  N  N27  4  0.1709  0.5789  0.2588  1
]