# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.57975610
_cell_length_b   9.89582747
_cell_length_c   48.00105907
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.61167536
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al120 Ni40'
_cell_volume   5181.41303446
_cell_formula_units_Z   40
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  0.090069  0.014767  0.359403  1
  Al  Al2  1  0.484613  0.169243  0.322490  1
  Al  Al3  1  0.747115  0.347918  0.319075  1
  Al  Al4  1  0.199321  0.505716  0.281073  1
  Al  Al5  1  0.646840  0.117356  0.283785  1
  Al  Al6  1  0.285864  0.912914  0.333979  1
  Al  Al7  1  0.008626  0.435325  0.319089  1
  Al  Al8  1  0.455146  0.647121  0.276221  1
  Al  Al9  1  0.960435  0.220242  0.354805  1
  Al  Al10  1  0.380583  0.392383  0.308257  1
  Al  Al11  1  0.097499  0.916933  0.300158  1
  Al  Al12  1  0.703416  0.768846  0.346556  1
  Al  Al13  1  0.901708  0.964961  0.322022  1
  Al  Al14  1  0.327503  0.130230  0.277796  1
  Al  Al15  1  0.213683  0.324187  0.354435  1
  Al  Al16  1  0.665816  0.569469  0.300283  1
  Al  Al17  1  0.101157  0.719646  0.359412  1
  Al  Al18  1  0.489131  0.880759  0.315252  1
  Al  Al19  1  0.096513  0.210498  0.301144  1
  Al  Al20  1  0.699832  0.056420  0.342763  1
  Al  Al21  1  0.905293  0.645980  0.323949  1
  Al  Al22  1  0.294531  0.821519  0.277933  1
  Al  Al23  1  0.688005  0.859719  0.292036  1
  Al  Al24  1  0.288729  0.608354  0.333439  1
  Al  Al25  1  0.280199  0.690552  0.449567  1
  Al  Al26  1  0.687097  0.851269  0.404474  1
  Al  Al27  1  0.967916  0.023235  0.414311  1
  Al  Al28  1  0.366694  0.175639  0.370352  1
  Al  Al29  1  0.887116  0.744652  0.376970  1
  Al  Al30  1  0.487126  0.581106  0.421128  1
  Al  Al31  1  0.213210  0.119268  0.413485  1
  Al  Al32  1  0.620398  0.275987  0.368571  1
  Al  Al33  1  0.157928  0.900746  0.449816  1
  Al  Al34  1  0.566105  0.059276  0.406763  1
  Al  Al35  1  0.286874  0.592138  0.392917  1
  Al  Al36  1  0.888909  0.436386  0.438725  1
  Al  Al37  1  0.076458  0.617310  0.411321  1
  Al  Al38  1  0.485906  0.769811  0.367677  1
  Al  Al39  1  0.403800  0.993076  0.448349  1
  Al  Al40  1  0.811291  0.163058  0.400414  1
  Al  Al41  1  0.296512  0.398603  0.449248  1
  Al  Al42  1  0.695843  0.554433  0.402851  1
  Al  Al43  1  0.298722  0.893117  0.393395  1
  Al  Al44  1  0.898567  0.736776  0.436437  1
  Al  Al45  1  0.091374  0.327403  0.409623  1
  Al  Al46  1  0.488536  0.474488  0.363395  1
  Al  Al47  1  0.871821  0.442587  0.375869  1
  Al  Al48  1  0.474342  0.279639  0.424720  1
  Al  Al49  1  0.475810  0.371648  0.540688  1
  Al  Al50  1  0.879252  0.531646  0.495434  1
  Al  Al51  1  0.168952  0.708157  0.505012  1
  Al  Al52  1  0.570462  0.866556  0.459802  1
  Al  Al53  1  0.085968  0.424018  0.467375  1
  Al  Al54  1  0.684968  0.265614  0.513606  1
  Al  Al55  1  0.415588  0.801480  0.503635  1
  Al  Al56  1  0.816373  0.959765  0.458474  1
  Al  Al57  1  0.355707  0.583239  0.540002  1
  Al  Al58  1  0.756492  0.741523  0.494840  1
  Al  Al59  1  0.487112  0.277389  0.484869  1
  Al  Al60  1  0.086111  0.118986  0.531100  1
  Al  Al61  1  0.274926  0.303727  0.503114  1
  Al  Al62  1  0.677126  0.462827  0.457159  1
  Al  Al63  1  0.601617  0.676448  0.538673  1
  Al  Al64  1  1.003128  0.834846  0.493463  1
  Al  Al65  1  0.494953  0.080176  0.541316  1
  Al  Al66  1  0.897154  0.239277  0.495361  1
  Al  Al67  1  0.498500  0.579841  0.481779  1
  Al  Al68  1  0.098725  0.421971  0.527627  1
  Al  Al69  1  0.292828  0.011358  0.503041  1
  Al  Al70  1  0.696270  0.171356  0.457787  1
  Al  Al71  1  0.073354  0.121033  0.470849  1
  Al  Al72  1  0.673579  0.963163  0.516696  1
  Al  Al73  1  0.683543  0.068516  0.635081  1
  Al  Al74  1  0.080706  0.215600  0.588852  1
  Al  Al75  1  0.360789  0.379945  0.598061  1
  Al  Al76  1  0.768279  0.549927  0.550127  1
  Al  Al77  1  0.283171  0.106617  0.559750  1
  Al  Al78  1  0.885206  0.950865  0.605558  1
  Al  Al79  1  0.605974  0.483728  0.591712  1
  Al  Al80  1  0.014151  0.642257  0.548659  1
  Al  Al81  1  0.551682  0.267016  0.629904  1
  Al  Al82  1  0.958870  0.423735  0.584990  1
  Al  Al83  1  0.684954  0.961898  0.577347  1
  Al  Al84  1  0.284964  0.798351  0.621505  1
  Al  Al85  1  0.476236  0.988571  0.595624  1
  Al  Al86  1  0.875567  0.144400  0.549227  1
  Al  Al87  1  0.805385  0.367364  0.628123  1
  Al  Al88  1  0.204164  0.519769  0.584164  1
  Al  Al89  1  0.686174  0.773192  0.630798  1
  Al  Al90  1  0.095621  0.925693  0.587154  1
  Al  Al91  1  0.697737  0.263365  0.573756  1
  Al  Al92  1  0.300258  0.100417  0.622606  1
  Al  Al93  1  0.484982  0.691734  0.594002  1
  Al  Al94  1  0.891881  0.852452  0.548908  1
  Al  Al95  1  0.273512  0.806227  0.562038  1
  Al  Al96  1  0.873357  0.649886  0.605080  1
  Al  Al97  1  0.877548  0.721484  0.720542  1
  Al  Al98  1  0.266786  0.897024  0.674526  1
  Al  Al99  1  0.506263  0.973534  0.698193  1
  Al  Al100  1  0.958396  0.218817  0.644040  1
  Al  Al101  1  0.468663  0.774157  0.651919  1
  Al  Al102  1  0.074580  0.626071  0.698317  1
  Al  Al103  1  0.791496  0.150620  0.690218  1
  Al  Al104  1  0.211644  0.322762  0.643671  1
  Al  Al105  1  0.716933  0.895883  0.722254  1
  Al  Al106  1  0.163453  0.107678  0.679386  1
  Al  Al107  1  0.886216  0.630089  0.664496  1
  Al  Al108  1  0.525239  0.425647  0.714691  1
  Al  Al109  1  0.682948  0.662245  0.683223  1
  Al  Al110  1  0.070923  0.823357  0.639063  1
  Al  Al111  1  0.972758  0.037287  0.717402  1
  Al  Al112  1  0.424964  0.195085  0.679400  1
  Al  Al113  1  0.844577  0.412774  0.720679  1
  Al  Al114  1  0.270371  0.578043  0.676453  1
  Al  Al115  1  0.883350  0.934650  0.665036  1
  Al  Al116  1  0.484074  0.683285  0.706439  1
  Al  Al117  1  0.687467  0.373760  0.675985  1
  Al  Al118  1  0.082011  0.528236  0.639072  1
  Al  Al119  1  0.472247  0.486583  0.655712  1
  Al  Al120  1  0.075566  0.332506  0.697331  1
  Ni  Ni121  1  0.555692  0.322281  0.283514  1
  Ni  Ni122  1  0.255411  0.141823  0.325256  1
  Ni  Ni123  1  0.862166  0.182738  0.305733  1
  Ni  Ni124  1  0.482756  0.009359  0.360599  1
  Ni  Ni125  1  0.130025  0.686189  0.309857  1
  Ni  Ni126  1  0.713538  0.529868  0.351395  1
  Ni  Ni127  1  0.866897  0.780169  0.285618  1
  Ni  Ni128  1  0.511935  0.641501  0.324706  1
  Ni  Ni129  1  0.852403  0.975778  0.370866  1
  Ni  Ni130  1  0.451107  0.808861  0.416448  1
  Ni  Ni131  1  0.079733  0.862936  0.401760  1
  Ni  Ni132  1  0.679013  0.703770  0.446289  1
  Ni  Ni133  1  0.325384  0.365879  0.399199  1
  Ni  Ni134  1  0.926752  0.209568  0.444874  1
  Ni  Ni135  1  0.094008  0.474832  0.367058  1
  Ni  Ni136  1  0.696648  0.315449  0.415816  1
  Ni  Ni137  1  0.047775  0.650860  0.461656  1
  Ni  Ni138  1  0.645853  0.491983  0.507311  1
  Ni  Ni139  1  0.278941  0.546723  0.491679  1
  Ni  Ni140  1  0.878210  0.386705  0.537422  1
  Ni  Ni141  1  0.526226  0.051020  0.491164  1
  Ni  Ni142  1  0.124305  0.892144  0.536819  1
  Ni  Ni143  1  0.293870  0.156299  0.461053  1
  Ni  Ni144  1  0.893138  0.996281  0.506796  1
  Ni  Ni145  1  0.245327  0.333435  0.553601  1
  Ni  Ni146  1  0.846695  0.177125  0.599276  1
  Ni  Ni147  1  0.475431  0.227554  0.582660  1
  Ni  Ni148  1  0.078072  0.068172  0.631417  1
  Ni  Ni149  1  0.720973  0.734143  0.582027  1
  Ni  Ni150  1  0.319676  0.567225  0.627609  1
  Ni  Ni151  1  0.493066  0.839234  0.552186  1
  Ni  Ni152  1  0.092347  0.680067  0.596715  1
  Ni  Ni153  1  0.458542  0.013135  0.647080  1
  Ni  Ni154  1  0.042054  0.856814  0.688618  1
  Ni  Ni155  1  0.660144  0.901503  0.673769  1
  Ni  Ni156  1  0.305182  0.762834  0.712857  1
  Ni  Ni157  1  0.916669  0.401180  0.673219  1
  Ni  Ni158  1  0.616388  0.220722  0.714961  1
  Ni  Ni159  1  0.689323  0.533645  0.637876  1
  Ni  Ni160  1  0.309913  0.360265  0.692743  1
