# generated using pymatgen
data_Nb3AlN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77241064
_cell_length_b   10.77241064
_cell_length_c   10.77241107
_cell_angle_alpha   16.07536592
_cell_angle_beta   16.07536592
_cell_angle_gamma   16.07536116
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3AlN4
_chemical_formula_sum   'Nb3 Al1 N4'
_cell_volume   83.55247331
_cell_formula_units_Z   1
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  1  0.25155500  0.25155500  0.25155500  1.0
  Nb  Nb1  1  0.50000000  0.50000000  0.50000000  1.0
  Nb  Nb2  1  0.74844500  0.74844500  0.74844500  1.0
  Al  Al3  1  0.00000000  0.00000000  0.00000000  1.0
  N  N4  1  0.12417000  0.12417000  0.12417000  1.0
  N  N5  1  0.36849600  0.36849600  0.36849600  1.0
  N  N6  1  0.63150400  0.63150400  0.63150400  1.0
  N  N7  1  0.87583000  0.87583000  0.87583000  1.0