# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.92175356
_cell_length_b   19.28060819
_cell_length_c   51.06277472
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5830.0928266
_cell_formula_units_Z   28
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  0.989200  0.818947  0.278348  1
  Al  Al2  1  0.087316  0.385660  0.312758  1
  Al  Al3  1  1.035409  0.966370  0.285470  1
  Al  Al4  1  1.035435  0.533147  0.317942  1
  Al  Al5  1  1.030988  0.672095  0.276361  1
  Al  Al6  1  0.037701  0.240174  0.310117  1
  Al  Al7  1  0.581453  0.535375  0.264691  1
  Al  Al8  1  0.508261  0.108135  0.293409  1
  Al  Al9  1  0.532110  0.691900  0.271528  1
  Al  Al10  1  0.534645  0.252139  0.301131  1
  Al  Al11  1  0.535555  0.958773  0.287431  1
  Al  Al12  1  0.527573  0.514000  0.320433  1
  Al  Al13  1  0.044456  0.944081  0.340311  1
  Al  Al14  1  0.977991  0.504263  0.373136  1
  Al  Al15  1  0.038566  0.092455  0.347762  1
  Al  Al16  1  1.028165  0.651962  0.378532  1
  Al  Al17  1  1.032127  0.796306  0.335723  1
  Al  Al18  1  1.030573  0.355058  0.367393  1
  Al  Al19  1  0.478353  0.663260  0.326142  1
  Al  Al20  1  0.592261  0.225344  0.357556  1
  Al  Al21  1  0.529228  0.810701  0.332224  1
  Al  Al22  1  0.538786  0.374235  0.364366  1
  Al  Al23  1  0.541025  0.074521  0.350215  1
  Al  Al24  1  0.536398  0.636128  0.383666  1
  Al  Al25  1  0.073346  0.064413  0.403791  1
  Al  Al26  1  0.086216  0.624186  0.436167  1
  Al  Al27  1  0.038136  0.211960  0.409717  1
  Al  Al28  1  0.040745  0.772112  0.441969  1
  Al  Al29  1  0.037998  0.916346  0.397888  1
  Al  Al30  1  0.039148  0.475800  0.430950  1
  Al  Al31  1  0.571416  0.783547  0.388240  1
  Al  Al32  1  0.479302  0.344281  0.420313  1
  Al  Al33  1  0.538223  0.931647  0.394569  1
  Al  Al34  1  0.530907  0.492904  0.425884  1
  Al  Al35  1  0.531154  0.195683  0.414567  1
  Al  Al36  1  0.535651  0.756256  0.445435  1
  Al  Al37  1  0.982097  0.184250  0.467012  1
  Al  Al38  1  1.008176  0.742916  0.498880  1
  Al  Al39  1  1.032507  0.332878  0.472873  1
  Al  Al40  1  1.033241  0.891799  0.504592  1
  Al  Al41  1  1.029561  0.036130  0.461173  1
  Al  Al42  1  1.034698  0.595718  0.493198  1
  Al  Al43  1  0.544096  0.904171  0.451291  1
  Al  Al44  1  0.592851  0.463720  0.483178  1
  Al  Al45  1  0.535697  0.052073  0.457035  1
  Al  Al46  1  0.542126  0.612250  0.488980  1
  Al  Al47  1  0.541169  0.314885  0.477506  1
  Al  Al48  1  0.530897  0.876709  0.508386  1
  Al  Al49  1  0.094201  0.303898  0.530259  1
  Al  Al50  1  1.014851  0.865287  0.561482  1
  Al  Al51  1  0.042636  0.452687  0.535685  1
  Al  Al52  1  1.034126  0.012562  0.567104  1
  Al  Al53  1  0.042580  0.155256  0.524405  1
  Al  Al54  1  1.033246  0.716229  0.555735  1
  Al  Al55  1  0.491690  0.024941  0.514019  1
  Al  Al56  1  0.487809  0.582674  0.546056  1
  Al  Al57  1  0.533995  0.172627  0.519651  1
  Al  Al58  1  0.530173  0.732027  0.551894  1
  Al  Al59  1  0.532640  0.434869  0.540420  1
  Al  Al60  1  0.544070  -0.004564  0.571756  1
  Al  Al61  1  0.978419  0.425367  0.593936  1
  Al  Al62  1  0.087495  0.982789  0.625446  1
  Al  Al63  1  1.028016  0.572756  0.598663  1
  Al  Al64  1  0.042123  0.133085  0.629312  1
  Al  Al65  1  0.036314  0.274998  0.586776  1
  Al  Al66  1  0.038887  0.833629  0.619403  1
  Al  Al67  1  0.592775  0.142678  0.577251  1
  Al  Al68  1  0.553411  0.705940  0.609803  1
  Al  Al69  1  0.541250  0.293071  0.582628  1
  Al  Al70  1  0.535663  0.854967  0.614287  1
  Al  Al71  1  0.543328  0.552402  0.602704  1
  Al  Al72  1  0.534960  0.115798  0.633354  1
  Al  Al73  1  0.098063  0.546334  0.658295  1
  Al  Al74  1  0.985116  0.111686  0.687507  1
  Al  Al75  1  0.044512  0.697155  0.651754  1
  Al  Al76  1  0.042733  0.259893  0.687680  1
  Al  Al77  1  0.043714  0.396460  0.649980  1
  Al  Al78  1  0.035926  0.955480  0.679662  1
  Al  Al79  1  0.485988  0.263345  0.638387  1
  Al  Al80  1  0.582676  0.829585  0.678177  1
  Al  Al81  1  0.545016  0.412435  0.641087  1
  Al  Al82  1  0.539645  0.978861  0.675498  1
  Al  Al83  1  0.512481  0.675719  0.664958  1
  Al  Al84  1  0.541959  0.234532  0.693256  1
  Ni  Ni85  1  0.555673  0.822190  0.283529  1
  Ni  Ni86  1  0.508431  0.384236  0.308518  1
  Ni  Ni87  1  0.274805  0.750398  0.301315  1
  Ni  Ni88  1  0.237166  0.189743  0.274068  1
  Ni  Ni89  1  0.284684  0.023598  0.316544  1
  Ni  Ni90  1  0.274592  0.469076  0.285876  1
  Ni  Ni91  1  0.263566  0.878442  0.307787  1
  Ni  Ni92  1  0.240783  0.315949  0.279720  1
  Ni  Ni93  1  0.796841  0.884730  0.311217  1
  Ni  Ni94  1  0.824963  0.328024  0.284701  1
  Ni  Ni95  1  0.998852  0.546104  0.270886  1
  Ni  Ni96  1  0.060247  0.111807  0.300630  1
  Ni  Ni97  1  0.789022  0.027278  0.315813  1
  Ni  Ni98  1  0.803200  0.454402  0.290795  1
  Ni  Ni99  1  0.774985  0.736717  0.305498  1
  Ni  Ni100  1  0.826003  0.184797  0.276649  1
  Ni  Ni101  1  0.747563  0.606398  0.298505  1
  Ni  Ni102  1  0.827108  0.064485  0.270503  1
  Ni  Ni103  1  0.313864  0.594738  0.292077  1
  Ni  Ni104  1  0.224454  0.063089  0.265953  1
  Ni  Ni105  1  0.524994  0.942998  0.338923  1
  Ni  Ni106  1  0.557193  0.504499  0.373937  1
  Ni  Ni107  1  0.288729  0.861758  0.365890  1
  Ni  Ni108  1  0.309830  0.300495  0.336695  1
  Ni  Ni109  1  0.301343  0.149411  0.378445  1
  Ni  Ni110  1  0.281206  0.577188  0.352621  1
  Ni  Ni111  1  0.273634  0.001285  0.371276  1
  Ni  Ni112  1  0.262848  0.450461  0.346328  1
  Ni  Ni113  1  0.812949  0.004795  0.373434  1
  Ni  Ni114  1  0.801992  0.438925  0.338511  1
  Ni  Ni115  1  0.054344  0.662781  0.325344  1
  Ni  Ni116  1  1.016603  0.223933  0.358166  1
  Ni  Ni117  1  0.785248  0.136596  0.382776  1
  Ni  Ni118  1  0.768001  0.591228  0.347183  1
  Ni  Ni119  1  0.783683  0.869252  0.363349  1
  Ni  Ni120  1  0.775156  0.315919  0.331543  1
  Ni  Ni121  1  0.757709  0.718143  0.353837  1
  Ni  Ni122  1  0.759771  0.158977  0.323518  1
  Ni  Ni123  1  0.301507  0.728762  0.360153  1
  Ni  Ni124  1  0.322648  0.169247  0.329086  1
  Ni  Ni125  1  0.514829  0.062958  0.404252  1
  Ni  Ni126  1  0.513386  0.625021  0.435926  1
  Ni  Ni127  1  0.284519  0.980345  0.428962  1
  Ni  Ni128  1  0.271153  0.431490  0.394549  1
  Ni  Ni129  1  0.277568  0.256637  0.446264  1
  Ni  Ni130  1  0.285568  0.711059  0.409936  1
  Ni  Ni131  1  0.257252  0.128552  0.438669  1
  Ni  Ni132  1  0.255700  0.558704  0.401173  1
  Ni  Ni133  1  0.807007  0.118714  0.432488  1
  Ni  Ni134  1  0.811010  0.569847  0.408300  1
  Ni  Ni135  1  1.013057  0.784822  0.388119  1
  Ni  Ni136  1  0.058508  0.343585  0.420471  1
  Ni  Ni137  1  0.777501  0.271050  0.441062  1
  Ni  Ni138  1  0.795318  0.698947  0.414478  1
  Ni  Ni139  1  0.790883  0.987301  0.426371  1
  Ni  Ni140  1  0.781955  0.417155  0.399807  1
  Ni  Ni141  1  0.773111  0.845232  0.420761  1
  Ni  Ni142  1  0.759168  0.290256  0.392750  1
  Ni  Ni143  1  0.311515  0.842323  0.418673  1
  Ni  Ni144  1  0.311975  0.278303  0.385205  1
  Ni  Ni145  1  0.557761  0.183504  0.467050  1
  Ni  Ni146  1  0.552245  0.743895  0.498815  1
  Ni  Ni147  1  0.276776  0.110587  0.488022  1
  Ni  Ni148  1  0.296569  0.537628  0.462189  1
  Ni  Ni149  1  0.295372  0.390995  0.503918  1
  Ni  Ni150  1  0.284528  0.822392  0.475822  1
  Ni  Ni151  1  0.259165  0.238306  0.494967  1
  Ni  Ni152  1  0.269579  0.688441  0.470086  1
  Ni  Ni153  1  0.816041  0.249625  0.502406  1
  Ni  Ni154  1  0.811493  0.680080  0.464525  1
  Ni  Ni155  1  1.028343  0.903914  0.451506  1
  Ni  Ni156  1  1.015019  0.464397  0.483176  1
  Ni  Ni157  1  0.796301  0.376727  0.509362  1
  Ni  Ni158  1  0.783932  0.825138  0.474802  1
  Ni  Ni159  1  0.780989  0.097352  0.492914  1
  Ni  Ni160  1  0.791621  0.551523  0.457132  1
  Ni  Ni161  1  0.758415  0.966990  0.484767  1
  Ni  Ni162  1  0.758177  0.398148  0.447995  1
  Ni  Ni163  1  0.299662  0.961119  0.480989  1
  Ni  Ni164  1  0.314046  0.409907  0.455478  1
  Ni  Ni165  1  0.516085  0.303995  0.530113  1
  Ni  Ni166  1  0.545807  0.865119  0.561439  1
  Ni  Ni167  1  0.298713  0.216106  0.556073  1
  Ni  Ni168  1  0.283703  0.669215  0.520706  1
  Ni  Ni169  1  0.274285  0.497147  0.572257  1
  Ni  Ni170  1  0.283662  0.940217  0.539440  1
  Ni  Ni171  1  0.256227  0.370587  0.565575  1
  Ni  Ni172  1  0.257663  0.803877  0.529846  1
  Ni  Ni173  1  0.817164  0.359069  0.558202  1
  Ni  Ni174  1  0.797273  0.804725  0.530341  1
  Ni  Ni175  1  0.057574  0.023814  0.514142  1
  Ni  Ni176  1  0.058193  0.584786  0.546149  1
  Ni  Ni177  1  0.782859  0.510546  0.566547  1
  Ni  Ni178  1  0.779315  0.949216  0.535896  1
  Ni  Ni179  1  0.794415  0.230619  0.551044  1
  Ni  Ni180  1  0.777965  0.658414  0.524620  1
  Ni  Ni181  1  0.763417  0.078722  0.542131  1
  Ni  Ni182  1  0.763091  0.529350  0.517940  1
  Ni  Ni183  1  0.315442  0.088623  0.549148  1
  Ni  Ni184  1  0.314597  0.518530  0.510840  1
  Ni  Ni185  1  0.557844  0.423157  0.592022  1
  Ni  Ni186  1  0.514548  0.985560  0.625917  1
  Ni  Ni187  1  0.273090  0.351089  0.613733  1
  Ni  Ni188  1  0.285216  0.785520  0.584902  1
  Ni  Ni189  1  0.296370  0.623544  0.628702  1
  Ni  Ni190  1  0.292600  0.068877  0.598408  1
  Ni  Ni191  1  0.254009  0.481602  0.622279  1
  Ni  Ni192  1  0.264681  0.921461  0.590715  1
  Ni  Ni193  1  0.826375  0.494727  0.629617  1
  Ni  Ni194  1  0.819098  0.928250  0.596090  1
  Ni  Ni195  1  1.015659  0.143136  0.576897  1
  Ni  Ni196  1  1.010165  0.702533  0.605212  1
  Ni  Ni197  1  0.780210  0.617864  0.634026  1
  Ni  Ni198  1  0.798530  0.055377  0.603742  1
  Ni  Ni199  1  0.791370  0.333823  0.618823  1
  Ni  Ni200  1  0.779712  0.786011  0.584915  1
  Ni  Ni201  1  0.765941  0.209404  0.611378  1
  Ni  Ni202  1  0.752421  0.640910  0.575159  1
  Ni  Ni203  1  0.312930  0.197585  0.604315  1
  Ni  Ni204  1  0.307234  0.647784  0.579756  1
  Ni  Ni205  1  0.514686  0.544326  0.653793  1
  Ni  Ni206  1  0.566977  0.107475  0.680958  1
  Ni  Ni207  1  0.340714  0.455678  0.676991  1
  Ni  Ni208  1  0.305418  0.897077  0.651015  1
  Ni  Ni209  1  0.250534  0.754112  0.688132  1
  Ni  Ni210  1  0.278913  0.178196  0.664111  1
  Ni  Ni211  1  0.160136  0.639680  0.689703  1
  Ni  Ni212  1  0.253189  0.053701  0.659053  1
  Ni  Ni213  1  0.798163  0.600625  0.680154  1
  Ni  Ni214  1  0.822061  0.043118  0.652881  1
  Ni  Ni215  1  0.066640  0.265669  0.639927  1
  Ni  Ni216  1  1.009965  0.827025  0.668515  1
  Ni  Ni217  1  0.843324  0.726804  0.688551  1
  Ni  Ni218  1  0.785649  0.193613  0.659149  1
  Ni  Ni219  1  0.767895  0.471729  0.674410  1
  Ni  Ni220  1  0.783060  0.909526  0.646228  1
  Ni  Ni221  1  0.744661  0.323406  0.666718  1
  Ni  Ni222  1  0.742739  0.770931  0.642548  1
  Ni  Ni223  1  0.343229  0.333964  0.672246  1
  Ni  Ni224  1  0.338844  0.776717  0.644099  1
