# generated using pymatgen
data_Nb3Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.07188470
_cell_length_b   7.17247658
_cell_length_c   47.37530279
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nb3Al
_chemical_formula_sum   'Nb36 Al12'
_cell_volume   1723.41754381
_cell_formula_units_Z   12
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  0.505341  0.309520  0.294272  1
  Nb  Nb2  1  0.505341  0.555513  0.331239  1
  Nb  Nb3  1  0.255341  0.942859  0.314594  1
  Nb  Nb4  1  0.755341  0.942859  0.314594  1
  Nb  Nb5  1  1.005341  0.576198  0.294272  1
  Nb  Nb6  1  1.005341  0.330205  0.331239  1
  Nb  Nb7  1  0.505341  0.816198  0.371127  1
  Nb  Nb8  1  0.505341  0.066467  0.409846  1
  Nb  Nb9  1  0.255341  0.442859  0.390614  1
  Nb  Nb10  1  0.755341  0.442859  0.390614  1
  Nb  Nb11  1  1.005341  0.069519  0.371127  1
  Nb  Nb12  1  1.005341  0.819251  0.409846  1
  Nb  Nb13  1  0.505341  0.317571  0.448696  1
  Nb  Nb14  1  0.505341  0.567662  0.487353  1
  Nb  Nb15  1  0.255341  0.942859  0.468111  1
  Nb  Nb16  1  0.755341  0.942859  0.468111  1
  Nb  Nb17  1  1.005341  0.568146  0.448696  1
  Nb  Nb18  1  1.005341  0.318055  0.487353  1
  Nb  Nb19  1  0.505341  0.817727  0.526323  1
  Nb  Nb20  1  0.505341  0.067319  0.565052  1
  Nb  Nb21  1  0.255341  0.442859  0.545529  1
  Nb  Nb22  1  0.755341  0.442859  0.545529  1
  Nb  Nb23  1  1.005341  0.067990  0.526323  1
  Nb  Nb24  1  1.005341  0.818399  0.565052  1
  Nb  Nb25  1  0.505341  0.318549  0.603408  1
  Nb  Nb26  1  0.505341  0.567426  0.642119  1
  Nb  Nb27  1  0.255341  0.942858  0.623450  1
  Nb  Nb28  1  0.755341  0.942858  0.623450  1
  Nb  Nb29  1  1.005341  0.567168  0.603408  1
  Nb  Nb30  1  1.005341  0.318291  0.642119  1
  Nb  Nb31  1  0.505341  0.818789  0.683165  1
  Nb  Nb32  1  0.505341  0.069966  0.716498  1
  Nb  Nb33  1  0.255341  0.442858  0.699038  1
  Nb  Nb34  1  0.755341  0.442858  0.699038  1
  Nb  Nb35  1  1.005341  0.066928  0.683165  1
  Nb  Nb36  1  1.005341  0.815751  0.716498  1
  Al  Al37  1  1.005341  0.193406  0.281429  1
  Al  Al38  1  0.505341  0.692311  0.281429  1
  Al  Al39  1  1.005341  0.692658  0.352439  1
  Al  Al40  1  0.505341  0.193060  0.352439  1
  Al  Al41  1  1.005341  0.193019  0.429303  1
  Al  Al42  1  0.505341  0.692698  0.429303  1
  Al  Al43  1  1.005341  0.693058  0.506891  1
  Al  Al44  1  0.505341  0.192659  0.506891  1
  Al  Al45  1  1.005341  0.191385  0.584712  1
  Al  Al46  1  0.505341  0.694332  0.584712  1
  Al  Al47  1  1.005341  0.694173  0.660313  1
  Al  Al48  1  0.505341  0.191544  0.660313  1
