# generated using pymatgen
data_Nb4AlN3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.00626983
_cell_length_b   3.00626983
_cell_length_c   25.66702700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999637
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb4AlN3
_chemical_formula_sum   'Nb8 Al2 N6'
_cell_volume   200.89176449
_cell_formula_units_Z   2
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  0.33333300  0.66666700  0.44486300  1.0
  Nb  Nb1  1  0.66666700  0.33333300  0.55513700  1.0
  Nb  Nb2  1  0.66666700  0.33333300  0.94486300  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.05513700  1.0
  Nb  Nb4  1  0.33333300  0.66666700  0.83685700  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.16314300  1.0
  Nb  Nb6  1  0.66666700  0.33333300  0.33685700  1.0
  Nb  Nb7  1  0.33333300  0.66666700  0.66314300  1.0
  Al  Al8  1  0.33333300  0.66666700  0.25000000  1.0
  Al  Al9  1  0.66666700  0.33333300  0.75000000  1.0
  N  N10  1  0.00000000  0.00000000  0.50000000  1.0
  N  N11  1  0.00000000  0.00000000  0.00000000  1.0
  N  N12  1  0.00000000  0.00000000  0.39131100  1.0
  N  N13  1  0.00000000  0.00000000  0.60868900  1.0
  N  N14  1  0.00000000  0.00000000  0.89131100  1.0
  N  N15  1  0.00000000  0.00000000  0.10868900  1.0