data_[Hf16Nb8Al12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Hf  1.3000  1.5500  0.8500
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.4442]
_cell_length_b [5.4619]
_cell_length_c [14.4814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4954]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Hf4Nb2(AlN)3]
_chemical_formula_sum '[Hf16 Nb8 Al12 N12]'
_cell_volume [729.3060]
_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
[
  Hf  Hf0  8  0.1139  0.0853  0.5918  1
  Hf  Hf1  8  0.2205  0.0820  0.9082  1
  Nb  Nb2  8  0.0528  0.4185  0.4132  1
  Al  Al3  8  0.1535  0.4294  0.7506  1
  Al  Al4  4  0.0000  0.1090  0.2500  1
  N  N5  8  0.0867  0.2400  1.0000  1
  N  N6  4  0.2500  0.2500  0.5000  1
]