# generated using pymatgen
data_NbAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87538735
_cell_length_b   13.98667553
_cell_length_c   51.70676946
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NbAl3
_chemical_formula_sum   'Nb24 Al72'
_cell_volume   2802.70263867
_cell_formula_units_Z   24
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  Nb1  1  -0.000002  0.555891  0.359350  1
  Nb  Nb2  1  0.999998  0.016536  0.276019  1
  Nb  Nb3  1  0.999998  0.786019  0.317674  1
  Nb  Nb4  1  0.499998  0.286019  0.317674  1
  Nb  Nb5  1  0.499998  0.055891  0.359350  1
  Nb  Nb6  1  0.499998  0.516536  0.276019  1
  Nb  Nb7  1  -0.000002  0.864695  0.484332  1
  Nb  Nb8  1  -0.000002  0.325368  0.401004  1
  Nb  Nb9  1  -0.000002  0.095231  0.442679  1
  Nb  Nb10  1  0.499998  0.595231  0.442679  1
  Nb  Nb11  1  0.499998  0.364695  0.484332  1
  Nb  Nb12  1  0.499998  0.825368  0.401004  1
  Nb  Nb13  1  0.999998  0.173823  0.609326  1
  Nb  Nb14  1  -0.000002  0.634543  0.526005  1
  Nb  Nb15  1  -0.000002  0.403989  0.567655  1
  Nb  Nb16  1  0.499998  0.903989  0.567655  1
  Nb  Nb17  1  0.499998  0.673823  0.609326  1
  Nb  Nb18  1  0.499998  0.134543  0.526005  1
  Nb  Nb19  1  0.999998  0.482518  0.734295  1
  Nb  Nb20  1  -0.000002  0.943259  0.650976  1
  Nb  Nb21  1  0.999998  0.713084  0.692646  1
  Nb  Nb22  1  0.499998  0.213084  0.692646  1
  Nb  Nb23  1  0.499998  0.982518  0.734295  1
  Nb  Nb24  1  0.499998  0.443259  0.650976  1
  Al  Al25  1  0.499998  0.111956  0.257420  1
  Al  Al26  1  0.499998  0.903278  0.295995  1
  Al  Al27  1  0.499998  0.670995  0.338373  1
  Al  Al28  1  0.999998  0.363470  0.348933  1
  Al  Al29  1  0.999998  0.824115  0.265602  1
  Al  Al30  1  -0.000002  0.593597  0.307257  1
  Al  Al31  1  0.499998  0.478440  0.328091  1
  Al  Al32  1  0.499998  0.248312  0.369767  1
  Al  Al33  1  0.499998  0.708957  0.286436  1
  Al  Al34  1  0.999998  0.403278  0.295995  1
  Al  Al35  1  0.999998  0.170995  0.338373  1
  Al  Al36  1  -0.000002  0.611956  0.257420  1
  Al  Al37  1  0.499998  0.324115  0.265602  1
  Al  Al38  1  0.499998  0.093597  0.307257  1
  Al  Al39  1  0.499998  0.863470  0.348933  1
  Al  Al40  1  -0.000002  0.208957  0.286436  1
  Al  Al41  1  0.999998  0.978440  0.328091  1
  Al  Al42  1  -0.000002  0.748312  0.369767  1
  Al  Al43  1  0.499998  0.440630  0.380177  1
  Al  Al44  1  0.499998  0.210261  0.421839  1
  Al  Al45  1  0.499998  0.979903  0.463501  1
  Al  Al46  1  -0.000002  0.672274  0.473914  1
  Al  Al47  1  0.999998  0.132946  0.390587  1
  Al  Al48  1  -0.000002  0.902809  0.432261  1
  Al  Al49  1  0.499998  0.787652  0.453097  1
  Al  Al50  1  0.499998  0.557116  0.494750  1
  Al  Al51  1  0.499998  0.017789  0.411422  1
  Al  Al52  1  0.999998  0.710261  0.421839  1
  Al  Al53  1  0.999998  0.479903  0.463501  1
  Al  Al54  1  0.999998  0.940630  0.380177  1
  Al  Al55  1  0.499998  0.632946  0.390587  1
  Al  Al56  1  0.499998  0.402809  0.432261  1
  Al  Al57  1  0.499998  0.172274  0.473914  1
  Al  Al58  1  0.999998  0.517789  0.411422  1
  Al  Al59  1  0.999998  0.287652  0.453097  1
  Al  Al60  1  -0.000002  0.057116  0.494750  1
  Al  Al61  1  0.499998  0.749544  0.505162  1
  Al  Al62  1  0.499998  0.519189  0.546824  1
  Al  Al63  1  0.499998  0.288832  0.588485  1
  Al  Al64  1  -0.000002  0.981402  0.598907  1
  Al  Al65  1  -0.000002  0.442121  0.515586  1
  Al  Al66  1  -0.000002  0.211568  0.557236  1
  Al  Al67  1  0.499998  0.096411  0.578075  1
  Al  Al68  1  0.499998  0.866245  0.619746  1
  Al  Al69  1  0.499998  0.326964  0.536424  1
  Al  Al70  1  -0.000002  0.019189  0.546824  1
  Al  Al71  1  -0.000002  0.788832  0.588485  1
  Al  Al72  1  0.999998  0.249544  0.505162  1
  Al  Al73  1  0.499998  0.942121  0.515586  1
  Al  Al74  1  0.499998  0.711568  0.557236  1
  Al  Al75  1  0.499998  0.481402  0.598907  1
  Al  Al76  1  -0.000002  0.826964  0.536424  1
  Al  Al77  1  -0.000002  0.596411  0.578075  1
  Al  Al78  1  -0.000002  0.366245  0.619746  1
  Al  Al79  1  0.499998  0.058472  0.630149  1
  Al  Al80  1  0.499998  0.827988  0.671824  1
  Al  Al81  1  0.499998  0.594529  0.714463  1
  Al  Al82  1  0.999998  0.290097  0.723875  1
  Al  Al83  1  0.999998  0.750837  0.640556  1
  Al  Al84  1  0.999998  0.520663  0.682225  1
  Al  Al85  1  0.499998  0.405506  0.703066  1
  Al  Al86  1  0.499998  0.174939  0.744714  1
  Al  Al87  1  0.499998  0.635680  0.661396  1
  Al  Al88  1  -0.000002  0.327988  0.671824  1
  Al  Al89  1  -0.000002  0.094529  0.714463  1
  Al  Al90  1  -0.000002  0.558472  0.630149  1
  Al  Al91  1  0.499998  0.250837  0.640556  1
  Al  Al92  1  0.499998  0.020663  0.682225  1
  Al  Al93  1  0.499998  0.790097  0.723875  1
  Al  Al94  1  0.999998  0.135680  0.661396  1
  Al  Al95  1  0.999998  0.905506  0.703066  1
  Al  Al96  1  0.999998  0.674939  0.744714  1
