data_[Al4H4N4]
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
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2582]
_cell_length_b [3.2567]
_cell_length_c [4.7735]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.1365]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AlHN]
_chemical_formula_sum '[Al4 H4 N4]'
_cell_volume [107.2307]
_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  0.1365  0.0000  0.7737  1
  H  H1  4  0.1355  0.0000  0.4241  1
  N  N2  4  0.0916  0.5000  0.9584  1
]