# generated using pymatgen
data_Nb2Al
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97073846
_cell_length_b   4.96903451
_cell_length_c   59.81905271
_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   2963.73158936
_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  0.111724  0.503647  0.270751  1
  Nb  Nb2  1  0.397815  1.003647  0.353385  1
  Nb  Nb3  1  0.601875  0.003647  0.318482  1
  Nb  Nb4  1  0.896949  0.503647  0.402476  1
  Nb  Nb5  1  0.037400  0.503647  0.313204  1
  Nb  Nb6  1  0.133054  1.003647  0.342632  1
  Nb  Nb7  1  0.868078  1.003647  0.329869  1
  Nb  Nb8  1  0.963097  0.503647  0.358372  1
  Nb  Nb9  1  0.535629  0.003647  0.276914  1
  Nb  Nb10  1  0.463015  1.003647  0.397580  1
  Nb  Nb11  1  0.348351  0.503647  0.261591  1
  Nb  Nb12  1  0.632506  0.503647  0.413465  1
  Nb  Nb13  1  0.321031  0.252226  0.305934  1
  Nb  Nb14  1  0.180319  0.752145  0.389695  1
  Nb  Nb15  1  0.822727  0.759307  0.282928  1
  Nb  Nb16  1  0.680431  0.251883  0.366222  1
  Nb  Nb17  1  0.822727  0.247987  0.282928  1
  Nb  Nb18  1  0.180319  0.255149  0.389695  1
  Nb  Nb19  1  0.321030  0.755068  0.305934  1
  Nb  Nb20  1  0.680431  0.755411  0.366222  1
  Nb  Nb21  1  0.103556  0.503647  0.436913  1
  Nb  Nb22  1  0.396928  0.003647  0.520308  1
  Nb  Nb23  1  0.603592  0.003647  0.485855  1
  Nb  Nb24  1  0.896967  0.503647  0.569259  1
  Nb  Nb25  1  0.037505  0.503647  0.480991  1
  Nb  Nb26  1  0.132745  0.003647  0.509290  1
  Nb  Nb27  1  0.867769  0.003647  0.496875  1
  Nb  Nb28  1  0.963013  0.503647  0.525175  1
  Nb  Nb29  1  0.537543  0.003647  0.441833  1
  Nb  Nb30  1  0.462976  0.003647  0.564328  1
  Nb  Nb31  1  0.367997  0.503647  0.425850  1
  Nb  Nb32  1  0.632563  0.503647  0.580302  1
  Nb  Nb33  1  0.320239  0.252205  0.473069  1
  Nb  Nb34  1  0.180306  0.752143  0.556432  1
  Nb  Nb35  1  0.820219  0.752141  0.449731  1
  Nb  Nb36  1  0.680287  0.252218  0.533095  1
  Nb  Nb37  1  0.820219  0.255153  0.449731  1
  Nb  Nb38  1  0.180306  0.255151  0.556432  1
  Nb  Nb39  1  0.320239  0.755088  0.473069  1
  Nb  Nb40  1  0.680287  0.755076  0.533095  1
  Nb  Nb41  1  0.103603  0.503647  0.603686  1
  Nb  Nb42  1  0.398192  0.003647  0.687546  1
  Nb  Nb43  1  0.603120  1.003647  0.652686  1
  Nb  Nb44  1  0.882227  0.503647  0.733739  1
  Nb  Nb45  1  0.037480  0.503647  0.647649  1
  Nb  Nb46  1  0.131816  1.003647  0.676172  1
  Nb  Nb47  1  0.867904  0.003647  0.663743  1
  Nb  Nb48  1  0.962297  0.503647  0.692407  1
  Nb  Nb49  1  0.537537  0.003647  0.608574  1
  Nb  Nb50  1  0.465864  1.003647  0.729324  1
  Nb  Nb51  1  0.367993  0.503647  0.592687  1
  Nb  Nb52  1  0.650178  0.503647  0.744534  1
  Nb  Nb53  1  0.320552  0.251959  0.639913  1
  Nb  Nb54  1  0.180769  0.759670  0.722246  1
  Nb  Nb55  1  0.820243  0.752204  0.616480  1
  Nb  Nb56  1  0.679020  0.250877  0.700107  1
  Nb  Nb57  1  0.820243  0.255090  0.616480  1
  Nb  Nb58  1  0.180769  0.247624  0.722246  1
  Nb  Nb59  1  0.320552  0.755335  0.639913  1
  Nb  Nb60  1  0.679020  0.756416  0.700107  1
  Al  Al61  1  0.502101  0.503647  0.336729  1
  Al  Al62  1  0.993128  0.003647  0.256550  1
  Al  Al63  1  0.568034  0.503647  0.291965  1
  Al  Al64  1  0.269308  0.003647  0.264231  1
  Al  Al65  1  0.734995  1.003647  0.408569  1
  Al  Al66  1  0.434796  0.503647  0.380140  1
  Al  Al67  1  0.070870  1.003647  0.298277  1
  Al  Al68  1  0.933294  1.003647  0.375497  1
  Al  Al69  1  0.235014  0.503647  0.347433  1
  Al  Al70  1  0.766140  0.503647  0.324955  1
  Al  Al71  1  0.500260  0.503647  0.503081  1
  Al  Al72  1  1.000195  0.003647  0.419739  1
  Al  Al73  1  0.566917  0.503647  0.458871  1
  Al  Al74  1  0.265494  1.003647  0.430825  1
  Al  Al75  1  0.735038  1.003647  0.575343  1
  Al  Al76  1  0.433604  0.503647  0.547292  1
  Al  Al77  1  0.066908  0.003647  0.463915  1
  Al  Al78  1  0.933547  1.003647  0.542254  1
  Al  Al79  1  0.235001  0.503647  0.514188  1
  Al  Al80  1  0.765522  0.503647  0.491976  1
  Al  Al81  1  0.497863  0.503647  0.669315  1
  Al  Al82  1  0.000354  1.003647  0.586433  1
  Al  Al83  1  0.565642  0.503647  0.625916  1
  Al  Al84  1  0.265556  0.003647  0.597593  1
  Al  Al85  1  0.735386  1.003647  0.741753  1
  Al  Al86  1  0.433468  0.503647  0.714149  1
  Al  Al87  1  0.067304  0.003647  0.630669  1
  Al  Al88  1  0.934289  1.003647  0.709695  1
  Al  Al89  1  0.234319  0.503647  0.680944  1
  Al  Al90  1  0.765760  0.503647  0.658846  1
