data_[Al5N5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3833]
_cell_length_b [17.8527]
_cell_length_c [17.8527]
_cell_angle_alpha [120.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AlN]
_chemical_formula_sum '[Al5 N5]'
_cell_volume [1485.8973]
_cell_formula_units_Z [5]
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  1  0.1971  0.0672  0.4600  1
  Al  Al1  1  0.1971  0.9147  0.3996  1
  Al  Al2  1  0.7797  0.9937  0.4510  1
  Al  Al3  1  0.9829  0.9301  0.5654  1
  Al  Al4  1  0.9831  0.0952  0.6308  1
  N  N5  1  0.0144  0.9831  0.3698  1
  N  N6  1  0.4476  0.9946  0.4583  1
  N  N7  1  0.9480  0.8889  0.4539  1
  N  N8  1  0.9481  0.1105  0.5417  1
  N  N9  1  0.9824  0.0220  0.6696  1
]