# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.26766484
_cell_length_b   6.27940423
_cell_length_c   49.79211516
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   64.07640219
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al81 Ni54'
_cell_volume   4012.12152903
_cell_formula_units_Z   27
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  0.150985  0.958004  0.293514  1
  Al  Al2  1  0.421451  0.933832  0.318445  1
  Al  Al3  1  0.844684  0.144050  0.283069  1
  Al  Al4  1  0.339837  0.561229  0.308444  1
  Al  Al5  1  0.765922  0.645464  0.281666  1
  Al  Al6  1  0.043970  0.702273  0.285982  1
  Al  Al7  1  0.221236  0.300288  0.301492  1
  Al  Al8  1  0.526607  0.211413  0.321283  1
  Al  Al9  1  0.979889  0.364694  0.289882  1
  Al  Al10  1  0.005406  0.688739  0.344174  1
  Al  Al11  1  0.286278  0.634402  0.363496  1
  Al  Al12  1  0.711698  0.819735  0.332453  1
  Al  Al13  1  0.198354  0.313543  0.356353  1
  Al  Al14  1  0.630132  0.488303  0.320721  1
  Al  Al15  1  0.900309  0.409606  0.339358  1
  Al  Al16  1  0.092387  0.039159  0.352955  1
  Al  Al17  1  0.377951  0.945863  0.371299  1
  Al  Al18  1  0.807007  0.115717  0.337953  1
  Al  Al19  1  0.858064  0.456359  0.396678  1
  Al  Al20  1  0.142611  0.375886  0.413115  1
  Al  Al21  1  0.573444  0.535266  0.380090  1
  Al  Al22  1  0.050032  0.058966  0.406794  1
  Al  Al23  1  0.478056  0.228316  0.373627  1
  Al  Al24  1  0.765010  0.141646  0.390972  1
  Al  Al25  1  0.951403  0.777124  0.403133  1
  Al  Al26  1  0.233753  0.694379  0.419679  1
  Al  Al27  1  0.665570  0.861090  0.387490  1
  Al  Al28  1  0.713731  0.205056  0.447090  1
  Al  Al29  1  0.999039  0.121319  0.463623  1
  Al  Al30  1  0.427788  0.289551  0.430354  1
  Al  Al31  1  0.906594  0.803147  0.457106  1
  Al  Al32  1  0.335048  0.973162  0.424134  1
  Al  Al33  1  0.621051  0.886846  0.440861  1
  Al  Al34  1  0.806703  0.522169  0.453401  1
  Al  Al35  1  0.091394  0.438153  0.469975  1
  Al  Al36  1  0.520720  0.607566  0.436665  1
  Al  Al37  1  0.569910  0.950691  0.496931  1
  Al  Al38  1  0.856050  0.864210  0.513660  1
  Al  Al39  1  0.283770  0.037172  0.480202  1
  Al  Al40  1  0.763309  0.547757  0.507243  1
  Al  Al41  1  0.191663  0.719582  0.473647  1
  Al  Al42  1  0.477144  0.633432  0.490492  1
  Al  Al43  1  0.662676  0.267950  0.503370  1
  Al  Al44  1  0.948156  0.181800  0.520215  1
  Al  Al45  1  0.376510  0.353624  0.486619  1
  Al  Al46  1  0.426089  0.696325  0.546772  1
  Al  Al47  1  0.712031  0.611830  0.563509  1
  Al  Al48  1  0.140780  0.780063  0.530239  1
  Al  Al49  1  0.619099  0.293816  0.557197  1
  Al  Al50  1  0.048426  0.463228  0.523887  1
  Al  Al51  1  0.333117  0.379213  0.540461  1
  Al  Al52  1  0.518768  0.014536  0.553001  1
  Al  Al53  1  0.804772  0.928220  0.569728  1
  Al  Al54  1  0.233225  0.098234  0.536756  1
  Al  Al55  1  0.281756  0.445022  0.597184  1
  Al  Al56  1  0.566376  0.366115  0.613772  1
  Al  Al57  1  0.997208  0.525495  0.580747  1
  Al  Al58  1  0.474250  0.040292  0.606372  1
  Al  Al59  1  0.906066  0.207003  0.574183  1
  Al  Al60  1  0.188416  0.124258  0.590729  1
  Al  Al61  1  0.374810  0.759736  0.602891  1
  Al  Al62  1  0.661763  0.673066  0.620235  1
  Al  Al63  1  0.089788  0.842416  0.587068  1
  Al  Al64  1  0.134413  0.212643  0.649688  1
  Al  Al65  1  0.428121  0.081647  0.661409  1
  Al  Al66  1  0.853541  0.266980  0.630366  1
  Al  Al67  1  0.332813  0.785665  0.655909  1
  Al  Al68  1  0.761869  0.955519  0.622563  1
  Al  Al69  1  0.047433  0.862223  0.640907  1
  Al  Al70  1  0.239510  0.491776  0.654504  1
  Al  Al71  1  0.509687  0.413079  0.673141  1
  Al  Al72  1  0.941466  0.587839  0.637509  1
  Al  Al73  1  0.988834  0.943378  0.700348  1
  Al  Al74  1  0.295135  0.757332  0.710793  1
  Al  Al75  1  0.718369  0.967550  0.675417  1
  Al  Al76  1  0.159930  0.536688  0.703980  1
  Al  Al77  1  0.613212  0.689969  0.672579  1
  Al  Al78  1  0.918584  0.601094  0.692370  1
  Al  Al79  1  0.095849  0.199108  0.707880  1
  Al  Al80  1  0.373898  0.255918  0.712196  1
  Al  Al81  1  0.799983  0.340153  0.685418  1
  Ni  Ni82  1  0.407644  0.196153  0.282458  1
  Ni  Ni83  1  0.693649  0.092129  0.297185  1
  Ni  Ni84  1  0.980815  0.028410  0.317386  1
  Ni  Ni85  1  0.326101  0.901925  0.280369  1
  Ni  Ni86  1  0.583848  0.851274  0.295346  1
  Ni  Ni87  1  0.877121  0.765057  0.310078  1
  Ni  Ni88  1  0.261716  0.944279  0.331950  1
  Ni  Ni89  1  0.552534  0.851679  0.350314  1
  Ni  Ni90  1  0.839287  0.769673  0.366046  1
  Ni  Ni91  1  0.165059  0.667155  0.327600  1
  Ni  Ni92  1  0.453023  0.581598  0.345007  1
  Ni  Ni93  1  0.734919  0.491326  0.361745  1
  Ni  Ni94  1  0.119962  0.688110  0.381238  1
  Ni  Ni95  1  0.407090  0.599592  0.399189  1
  Ni  Ni96  1  0.692602  0.515397  0.415778  1
  Ni  Ni97  1  0.022101  0.404830  0.377864  1
  Ni  Ni98  1  0.307163  0.321823  0.394935  1
  Ni  Ni99  1  0.592619  0.232646  0.411922  1
  Ni  Ni100  1  0.977971  0.431748  0.432100  1
  Ni  Ni101  1  0.262411  0.348296  0.448767  1
  Ni  Ni102  1  0.548581  0.261714  0.465660  1
  Ni  Ni103  1  0.878914  0.148656  0.428396  1
  Ni  Ni104  1  0.163247  0.065801  0.444731  1
  Ni  Ni105  1  0.449013  0.979424  0.461697  1
  Ni  Ni106  1  0.834553  0.175979  0.482362  1
  Ni  Ni107  1  0.119437  0.091950  0.498955  1
  Ni  Ni108  1  0.404654  0.007477  0.515476  1
  Ni  Ni109  1  0.735166  0.893905  0.478386  1
  Ni  Ni110  1  0.020382  0.809432  0.494907  1
  Ni  Ni111  1  0.305266  0.725403  0.511500  1
  Ni  Ni112  1  0.690806  0.921958  0.532165  1
  Ni  Ni113  1  0.976572  0.835580  0.549131  1
  Ni  Ni114  1  0.260905  0.752726  0.565466  1
  Ni  Ni115  1  0.591239  0.639668  0.528202  1
  Ni  Ni116  1  0.877408  0.553085  0.545095  1
  Ni  Ni117  1  0.161849  0.469634  0.561762  1
  Ni  Ni118  1  0.547200  0.668735  0.581940  1
  Ni  Ni119  1  0.832656  0.579559  0.598927  1
  Ni  Ni120  1  0.117719  0.496552  0.615998  1
  Ni  Ni121  1  0.447218  0.385985  0.578084  1
  Ni  Ni122  1  0.732730  0.301789  0.594673  1
  Ni  Ni123  1  0.019858  0.213272  0.612624  1
  Ni  Ni124  1  0.404900  0.410056  0.632117  1
  Ni  Ni125  1  0.686796  0.319783  0.648855  1
  Ni  Ni126  1  0.974760  0.234227  0.666262  1
  Ni  Ni127  1  0.300533  0.131709  0.627816  1
  Ni  Ni128  1  0.587285  0.049703  0.643548  1
  Ni  Ni129  1  0.878103  0.957103  0.661912  1
  Ni  Ni130  1  0.262699  0.136324  0.683784  1
  Ni  Ni131  1  0.555971  0.050107  0.698516  1
  Ni  Ni132  1  0.813719  0.999457  0.713493  1
  Ni  Ni133  1  0.159004  0.872972  0.676476  1
  Ni  Ni134  1  0.446171  0.809252  0.696677  1
  Ni  Ni135  1  0.732175  0.705229  0.711404  1
