data_[Nb8Al12V16N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9129]
_cell_length_b [5.1367]
_cell_length_c [13.1861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3269]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Nb2Al3V4N3]
_chemical_formula_sum '[Nb8 Al12 V16 N12]'
_cell_volume [587.4430]
_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
[
  Nb  Nb0  8  0.0430  0.4169  0.8828  1
  Al  Al1  8  0.2399  0.3450  0.2493  1
  Al  Al2  4  0.0000  0.0651  0.2500  1
  V  V3  8  0.1078  0.0853  0.0755  1
  V  V4  8  0.2259  0.0847  0.4245  1
  N  N5  8  0.0791  0.2628  0.4999  1
  N  N6  4  0.2500  0.2500  0.0000  1
]