# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.49715129
_cell_length_b   6.36477746
_cell_length_c   49.95277114
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.80665278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al63 Ni42'
_cell_volume   3313.92299458
_cell_formula_units_Z   21
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
  Al  Al1  1  0.210449  0.309557  0.280159  1
  Al  Al2  1  0.556172  0.145629  0.292825  1
  Al  Al3  1  0.908199  0.016876  0.323741  1
  Al  Al4  1  0.445941  0.514910  0.294140  1
  Al  Al5  1  0.788270  0.397393  0.313884  1
  Al  Al6  1  0.140213  0.267820  0.336977  1
  Al  Al7  1  0.306837  0.852328  0.285477  1
  Al  Al8  1  0.677853  0.739106  0.303042  1
  Al  Al9  1  0.028667  0.630505  0.323537  1
  Al  Al10  1  0.254282  0.875389  0.340193  1
  Al  Al11  1  0.600181  0.752507  0.360579  1
  Al  Al12  1  0.946950  0.614650  0.382319  1
  Al  Al13  1  0.482410  0.138605  0.355971  1
  Al  Al14  1  0.828870  0.008574  0.376241  1
  Al  Al15  1  0.182039  0.879539  0.398561  1
  Al  Al16  1  0.371379  0.493805  0.345877  1
  Al  Al17  1  0.715971  0.356357  0.366524  1
  Al  Al18  1  0.063359  0.231820  0.388431  1
  Al  Al19  1  0.295978  0.491036  0.403111  1
  Al  Al20  1  0.642258  0.364775  0.424096  1
  Al  Al21  1  0.989787  0.233952  0.444928  1
  Al  Al22  1  0.526411  0.752118  0.418505  1
  Al  Al23  1  0.873126  0.622445  0.439161  1
  Al  Al24  1  0.221388  0.494269  0.460413  1
  Al  Al25  1  0.412704  0.105570  0.408612  1
  Al  Al26  1  0.758628  0.972505  0.429457  1
  Al  Al27  1  0.105662  0.845580  0.450605  1
  Al  Al28  1  0.337937  0.105965  0.465945  1
  Al  Al29  1  0.685063  0.976450  0.486732  1
  Al  Al30  1  0.032084  0.847884  0.507535  1
  Al  Al31  1  0.568874  0.365265  0.481179  1
  Al  Al32  1  0.915589  0.236193  0.502110  1
  Al  Al33  1  0.263428  0.106789  0.522864  1
  Al  Al34  1  0.454042  0.717473  0.471337  1
  Al  Al35  1  0.801399  0.587914  0.492185  1
  Al  Al36  1  0.148056  0.459211  0.513012  1
  Al  Al37  1  0.379364  0.718611  0.528283  1
  Al  Al38  1  0.727568  0.589814  0.549423  1
  Al  Al39  1  0.074493  0.459026  0.570054  1
  Al  Al40  1  0.611656  0.979003  0.543686  1
  Al  Al41  1  0.958356  0.851565  0.564925  1
  Al  Al42  1  0.304547  0.718563  0.585427  1
  Al  Al43  1  0.496285  0.329764  0.533910  1
  Al  Al44  1  0.844392  0.201821  0.555236  1
  Al  Al45  1  0.189891  0.072627  0.575496  1
  Al  Al46  1  0.421057  0.332938  0.590913  1
  Al  Al47  1  0.771656  0.210611  0.612293  1
  Al  Al48  1  0.117379  0.076518  0.634177  1
  Al  Al49  1  0.654359  0.593629  0.605815  1
  Al  Al50  1  1.000637  0.466851  0.628171  1
  Al  Al51  1  0.345762  0.329242  0.647718  1
  Al  Al52  1  0.535658  0.943609  0.595814  1
  Al  Al53  1  0.889178  0.816377  0.618349  1
  Al  Al54  1  0.233393  0.686025  0.638081  1
  Al  Al55  1  0.461957  0.945537  0.652870  1
  Al  Al56  1  0.808383  0.806244  0.671546  1
  Al  Al57  1  0.163627  0.654667  0.699045  1
  Al  Al58  1  0.687044  0.197401  0.670780  1
  Al  Al59  1  0.050587  0.102409  0.690827  1
  Al  Al60  1  0.404838  0.945100  0.708843  1
  Al  Al61  1  0.577262  0.554824  0.656980  1
  Al  Al62  1  0.920824  0.430970  0.680959  1
  Al  Al63  1  0.305092  0.306548  0.700027  1
  Ni  Ni64  1  0.468440  0.839971  0.322725  1
  Ni  Ni65  1  0.783307  0.081520  0.285784  1
  Ni  Ni66  1  0.115359  0.979220  0.303918  1
  Ni  Ni67  1  0.346516  0.180465  0.315610  1
  Ni  Ni68  1  0.684609  0.058892  0.334002  1
  Ni  Ni69  1  0.997243  0.306357  0.297033  1
  Ni  Ni70  1  0.508398  0.444496  0.386383  1
  Ni  Ni71  1  0.812830  0.695288  0.345230  1
  Ni  Ni72  1  0.159618  0.573800  0.366121  1
  Ni  Ni73  1  0.389248  0.800541  0.377957  1
  Ni  Ni74  1  0.734953  0.670077  0.398293  1
  Ni  Ni75  1  0.046095  0.924107  0.358759  1
  Ni  Ni76  1  0.549647  0.055623  0.449247  1
  Ni  Ni77  1  0.852654  0.309618  0.407547  1
  Ni  Ni78  1  0.202512  0.184981  0.428674  1
  Ni  Ni79  1  0.430778  0.414037  0.440694  1
  Ni  Ni80  1  0.778113  0.283957  0.461395  1
  Ni  Ni81  1  0.083760  0.542215  0.419907  1
  Ni  Ni82  1  0.591803  0.668403  0.511951  1
  Ni  Ni83  1  0.896295  0.925932  0.470095  1
  Ni  Ni84  1  0.243932  0.797748  0.490977  1
  Ni  Ni85  1  0.473397  0.026676  0.503254  1
  Ni  Ni86  1  0.820844  0.898249  0.524232  1
  Ni  Ni87  1  0.125498  0.155799  0.482352  1
  Ni  Ni88  1  0.634119  0.281510  0.574573  1
  Ni  Ni89  1  0.938880  0.540462  0.532843  1
  Ni  Ni90  1  0.286232  0.410402  0.553407  1
  Ni  Ni91  1  0.514904  0.639398  0.565541  1
  Ni  Ni92  1  0.864963  0.515200  0.586914  1
  Ni  Ni93  1  0.167338  0.768423  0.544946  1
  Ni  Ni94  1  0.673405  0.900748  0.635757  1
  Ni  Ni95  1  0.982760  0.154126  0.596163  1
  Ni  Ni96  1  0.325995  0.023395  0.615778  1
  Ni  Ni97  1  0.558003  0.250060  0.627727  1
  Ni  Ni98  1  0.903967  0.128135  0.649851  1
  Ni  Ni99  1  0.208370  0.380662  0.607642  1
  Ni  Ni100  1  0.704661  0.521652  0.697974  1
  Ni  Ni101  1  0.031836  0.768846  0.660217  1
  Ni  Ni102  1  0.375734  0.640252  0.677729  1
  Ni  Ni103  1  0.598475  0.845940  0.689313  1
  Ni  Ni104  1  0.946378  0.756635  0.707835  1
  Ni  Ni105  1  0.250237  0.982007  0.671563  1
