# generated using pymatgen
data_NbAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87548279
_cell_length_b   10.97857415
_cell_length_c   49.40251960
_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   'Nb16 Al48'
_cell_volume   2101.94259594
_cell_formula_units_Z   16
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  -0.000014  0.191762  0.291686  1
  Nb  Nb2  1  0.499986  0.567158  0.319461  1
  Nb  Nb3  1  -0.000014  0.942558  0.347241  1
  Nb  Nb4  1  0.499986  0.317953  0.375019  1
  Nb  Nb5  1  -0.000014  0.693353  0.402799  1
  Nb  Nb6  1  0.499986  0.068753  0.430577  1
  Nb  Nb7  1  -0.000014  0.444152  0.458353  1
  Nb  Nb8  1  0.499986  0.819554  0.486133  1
  Nb  Nb9  1  -0.000014  0.194949  0.513911  1
  Nb  Nb10  1  0.499986  0.570350  0.541691  1
  Nb  Nb11  1  -0.000014  0.945750  0.569468  1
  Nb  Nb12  1  0.499986  0.321150  0.597245  1
  Nb  Nb13  1  -0.000014  0.696549  0.625025  1
  Nb  Nb14  1  0.499986  0.071945  0.652803  1
  Nb  Nb15  1  -0.000014  0.447345  0.680583  1
  Nb  Nb16  1  0.499986  0.822741  0.708358  1
  Al  Al17  1  0.499986  0.067193  0.319447  1
  Al  Al18  1  0.999986  0.941770  0.291687  1
  Al  Al19  1  0.499986  0.817151  0.319463  1
  Al  Al20  1  -0.000014  0.691602  0.291748  1
  Al  Al21  1  0.499986  0.317166  0.319464  1
  Al  Al22  1  0.999986  0.441754  0.291683  1
  Al  Al23  1  0.499986  0.817941  0.375019  1
  Al  Al24  1  0.999986  0.692565  0.347244  1
  Al  Al25  1  0.499986  0.567945  0.375016  1
  Al  Al26  1  -0.000014  0.442549  0.347242  1
  Al  Al27  1  0.499986  0.067961  0.375022  1
  Al  Al28  1  0.999986  0.192552  0.347240  1
  Al  Al29  1  0.499986  0.568746  0.430578  1
  Al  Al30  1  0.999986  0.443360  0.402798  1
  Al  Al31  1  0.499986  0.318743  0.430574  1
  Al  Al32  1  -0.000014  0.193344  0.402800  1
  Al  Al33  1  0.499986  0.818763  0.430578  1
  Al  Al34  1  0.999986  0.943345  0.402796  1
  Al  Al35  1  0.499986  0.319550  0.486133  1
  Al  Al36  1  0.999986  0.194161  0.458356  1
  Al  Al37  1  0.499986  0.069546  0.486131  1
  Al  Al38  1  -0.000014  0.944148  0.458355  1
  Al  Al39  1  0.499986  0.569561  0.486136  1
  Al  Al40  1  0.999986  0.694145  0.458355  1
  Al  Al41  1  0.499986  0.070354  0.541689  1
  Al  Al42  1  0.999986  0.944957  0.513913  1
  Al  Al43  1  0.499986  0.820341  0.541688  1
  Al  Al44  1  -0.000014  0.694952  0.513911  1
  Al  Al45  1  0.499986  0.320358  0.541690  1
  Al  Al46  1  0.999986  0.444941  0.513908  1
  Al  Al47  1  0.499986  0.821159  0.597244  1
  Al  Al48  1  0.999986  0.695760  0.569470  1
  Al  Al49  1  0.499986  0.571143  0.597246  1
  Al  Al50  1  -0.000014  0.445757  0.569467  1
  Al  Al51  1  0.499986  0.071158  0.597248  1
  Al  Al52  1  0.999986  0.195739  0.569466  1
  Al  Al53  1  0.499986  0.571954  0.652802  1
  Al  Al54  1  0.999986  0.446558  0.625028  1
  Al  Al55  1  0.499986  0.321938  0.652800  1
  Al  Al56  1  -0.000014  0.196562  0.625025  1
  Al  Al57  1  0.499986  0.821951  0.652804  1
  Al  Al58  1  0.999986  0.946542  0.625022  1
  Al  Al59  1  0.499986  0.322901  0.708296  1
  Al  Al60  1  0.999986  0.197352  0.680581  1
  Al  Al61  1  0.499986  0.072733  0.708358  1
  Al  Al62  1  -0.000014  0.947309  0.680597  1
  Al  Al63  1  0.499986  0.572749  0.708361  1
  Al  Al64  1  0.999986  0.697337  0.680580  1
