# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96881334
_cell_length_b   14.10769330
_cell_length_c   49.36582936
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb2Al
_chemical_formula_sum   'Nb60 Al30'
_cell_volume   3460.47032535
_cell_formula_units_Z   30
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  0.503669  0.433346  0.418226  1
  Nb  Nb2  1  1.003669  0.539873  0.309352  1
  Nb  Nb3  1  0.003669  0.326818  0.309352  1
  Nb  Nb4  1  0.503669  0.933346  0.334353  1
  Nb  Nb5  1  0.503669  0.599106  0.389871  1
  Nb  Nb6  1  0.003669  0.633383  0.351177  1
  Nb  Nb7  1  1.003669  0.731077  0.400846  1
  Nb  Nb8  1  0.503669  0.769990  0.362157  1
  Nb  Nb9  1  1.003669  0.233308  0.351177  1
  Nb  Nb10  1  0.003669  0.135614  0.400846  1
  Nb  Nb11  1  0.503669  0.267585  0.389871  1
  Nb  Nb12  1  0.503669  0.096701  0.362157  1
  Nb  Nb13  1  0.752207  0.433346  0.356338  1
  Nb  Nb14  1  0.251923  0.753111  0.306503  1
  Nb  Nb15  1  0.251923  0.113580  0.306503  1
  Nb  Nb16  1  0.754955  0.933346  0.396244  1
  Nb  Nb17  1  0.755416  0.113580  0.306503  1
  Nb  Nb18  1  0.755416  0.753111  0.306503  1
  Nb  Nb19  1  0.255132  0.433346  0.356338  1
  Nb  Nb20  1  0.252384  0.933346  0.396244  1
  Nb  Nb21  1  0.503669  0.933346  0.560974  1
  Nb  Nb22  1  1.003669  0.036541  0.447649  1
  Nb  Nb23  1  0.003669  0.830150  0.447649  1
  Nb  Nb24  1  0.503669  0.433346  0.477048  1
  Nb  Nb25  1  0.503669  0.098466  0.532781  1
  Nb  Nb26  1  1.003669  0.136019  0.494843  1
  Nb  Nb27  1  0.003669  0.230920  0.543537  1
  Nb  Nb28  1  0.503669  0.268471  0.505561  1
  Nb  Nb29  1  0.003669  0.730672  0.494843  1
  Nb  Nb30  1  1.003669  0.635770  0.543537  1
  Nb  Nb31  1  0.503669  0.768226  0.532781  1
  Nb  Nb32  1  0.503669  0.598219  0.505562  1
  Nb  Nb33  1  0.754690  0.933346  0.499049  1
  Nb  Nb34  1  0.255099  0.253436  0.447649  1
  Nb  Nb35  1  0.255099  0.613256  0.447649  1
  Nb  Nb36  1  0.754880  0.433341  0.539550  1
  Nb  Nb37  1  0.752240  0.613256  0.447649  1
  Nb  Nb38  1  0.752240  0.253436  0.447649  1
  Nb  Nb39  1  0.252648  0.933346  0.499049  1
  Nb  Nb40  1  0.252458  0.433341  0.539550  1
  Nb  Nb41  1  0.503669  0.433345  0.695843  1
  Nb  Nb42  1  1.003669  0.536509  0.590623  1
  Nb  Nb43  1  1.003669  0.330182  0.590607  1
  Nb  Nb44  1  0.503669  0.933346  0.619628  1
  Nb  Nb45  1  0.503669  0.596271  0.676432  1
  Nb  Nb46  1  1.003669  0.638581  0.639992  1
  Nb  Nb47  1  0.003669  0.730384  0.683960  1
  Nb  Nb48  1  0.503669  0.767191  0.649437  1
  Nb  Nb49  1  0.003669  0.228113  0.639993  1
  Nb  Nb50  1  1.003669  0.136309  0.683959  1
  Nb  Nb51  1  0.503669  0.270423  0.676432  1
  Nb  Nb52  1  0.503669  0.099500  0.649437  1
  Nb  Nb53  1  0.758728  0.433349  0.641769  1
  Nb  Nb54  1  0.254917  0.753352  0.590531  1
  Nb  Nb55  1  0.254917  0.113339  0.590531  1
  Nb  Nb56  1  0.747937  0.933346  0.680661  1
  Nb  Nb57  1  0.752422  0.113339  0.590531  1
  Nb  Nb58  1  0.752422  0.753352  0.590531  1
  Nb  Nb59  1  0.248611  0.433349  0.641768  1
  Nb  Nb60  1  0.259401  0.933346  0.680661  1
  Al  Al61  1  0.503669  0.433346  0.306145  1
  Al  Al62  1  1.003669  0.933346  0.305158  1
  Al  Al63  1  0.503669  0.264778  0.332607  1
  Al  Al64  1  1.003669  0.334355  0.400100  1
  Al  Al65  1  1.003669  0.034558  0.352984  1
  Al  Al66  1  0.503669  0.099273  0.419254  1
  Al  Al67  1  1.003669  0.532336  0.400100  1
  Al  Al68  1  0.003669  0.832133  0.352984  1
  Al  Al69  1  0.503669  0.601913  0.332607  1
  Al  Al70  1  0.503669  0.767419  0.419254  1
  Al  Al71  1  0.503669  0.933346  0.447660  1
  Al  Al72  1  0.003669  0.433346  0.447624  1
  Al  Al73  1  0.503669  0.767396  0.476026  1
  Al  Al74  1  0.003669  0.835247  0.542587  1
  Al  Al75  1  1.003669  0.532398  0.495168  1
  Al  Al76  1  0.503669  0.599132  0.562079  1
  Al  Al77  1  0.003669  0.031444  0.542587  1
  Al  Al78  1  1.003669  0.334293  0.495168  1
  Al  Al79  1  0.503669  0.099295  0.476026  1
  Al  Al80  1  0.503670  0.267582  0.562077  1
  Al  Al81  1  0.503669  0.433346  0.590510  1
  Al  Al82  1  0.003669  0.933346  0.590369  1
  Al  Al83  1  0.503670  0.267917  0.619424  1
  Al  Al84  1  1.003669  0.332950  0.686802  1
  Al  Al85  1  0.003669  0.032675  0.637887  1
  Al  Al86  1  0.503669  0.102797  0.702748  1
  Al  Al87  1  0.003669  0.533740  0.686776  1
  Al  Al88  1  0.003669  0.834016  0.637887  1
  Al  Al89  1  0.503669  0.598750  0.619427  1
  Al  Al90  1  0.503669  0.763895  0.702748  1
