# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72502645
_cell_length_b   18.12629002
_cell_length_c   49.19505486
_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   'Al108 Ni180'
_cell_volume   6888.59018645
_cell_formula_units_Z   36
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  0.487897  0.821586  0.282003  1
  Al  Al2  1  0.487897  0.515169  0.313653  1
  Al  Al3  1  0.487897  0.135768  0.259447  1
  Al  Al4  1  0.759550  0.852808  0.327881  1
  Al  Al5  1  0.763004  0.490569  0.274149  1
  Al  Al6  1  0.760600  0.169793  0.299668  1
  Al  Al7  1  0.216245  0.852808  0.327881  1
  Al  Al8  1  0.212791  0.490569  0.274149  1
  Al  Al9  1  0.215195  0.169793  0.299668  1
  Al  Al10  1  -0.012103  0.680673  0.298218  1
  Al  Al11  1  -0.012103  0.353541  0.325921  1
  Al  Al12  1  -0.012103  0.977524  0.271610  1
  Al  Al13  1  0.275034  0.656613  0.262590  1
  Al  Al14  1  0.263437  0.328835  0.286050  1
  Al  Al15  1  0.260929  1.009075  0.314650  1
  Al  Al16  1  0.700760  0.656613  0.262590  1
  Al  Al17  1  0.712358  0.328835  0.286050  1
  Al  Al18  1  0.714866  1.009075  0.314650  1
  Al  Al19  1  0.487897  0.872931  0.365103  1
  Al  Al20  1  0.487897  0.553068  0.390184  1
  Al  Al21  1  0.487897  0.193269  0.338604  1
  Al  Al22  1  0.759689  0.897115  0.403486  1
  Al  Al23  1  0.760044  0.534057  0.351008  1
  Al  Al24  1  0.758360  0.215805  0.376720  1
  Al  Al25  1  0.216106  0.897115  0.403486  1
  Al  Al26  1  0.215750  0.534057  0.351008  1
  Al  Al27  1  0.217435  0.215805  0.376720  1
  Al  Al28  1  -0.012103  0.711404  0.377879  1
  Al  Al29  1  -0.012103  0.395495  0.402626  1
  Al  Al30  1  -0.012103  0.033507  0.351946  1
  Al  Al31  1  0.259869  0.693188  0.339555  1
  Al  Al32  1  0.258414  0.374285  0.363848  1
  Al  Al33  1  0.259184  0.057292  0.390067  1
  Al  Al34  1  0.715925  0.693188  0.339555  1
  Al  Al35  1  0.717381  0.374285  0.363848  1
  Al  Al36  1  0.716611  0.057292  0.390067  1
  Al  Al37  1  0.487897  0.921327  0.441419  1
  Al  Al38  1  0.487897  0.601604  0.467146  1
  Al  Al39  1  0.487897  0.238606  0.415429  1
  Al  Al40  1  0.759132  0.942968  0.479698  1
  Al  Al41  1  0.758646  0.578023  0.428606  1
  Al  Al42  1  0.758604  0.261079  0.454079  1
  Al  Al43  1  0.216663  0.942968  0.479698  1
  Al  Al44  1  0.217149  0.578023  0.428606  1
  Al  Al45  1  0.217191  0.261079  0.454079  1
  Al  Al46  1  -0.012103  0.760966  0.454445  1
  Al  Al47  1  -0.012103  0.442732  0.479735  1
  Al  Al48  1  -0.012103  0.081157  0.428370  1
  Al  Al49  1  0.259340  0.737066  0.416223  1
  Al  Al50  1  0.258318  0.419603  0.441139  1
  Al  Al51  1  0.258852  0.102339  0.466875  1
  Al  Al52  1  0.716455  0.737066  0.416223  1
  Al  Al53  1  0.717477  0.419603  0.441139  1
  Al  Al54  1  0.716942  0.102339  0.466875  1
  Al  Al55  1  0.487897  0.964351  0.518233  1
  Al  Al56  1  0.487897  0.644481  0.544127  1
  Al  Al57  1  0.487897  0.283151  0.492695  1
  Al  Al58  1  0.758632  0.988273  0.556707  1
  Al  Al59  1  0.758917  0.623314  0.505737  1
  Al  Al60  1  0.758427  0.305699  0.531216  1
  Al  Al61  1  0.217163  0.988273  0.556707  1
  Al  Al62  1  0.216878  0.623314  0.505737  1
  Al  Al63  1  0.217368  0.305699  0.531216  1
  Al  Al64  1  -0.012103  0.804764  0.531057  1
  Al  Al65  1  -0.012103  0.485681  0.557050  1
  Al  Al66  1  -0.012103  0.123517  0.505672  1
  Al  Al67  1  0.259125  0.783025  0.492736  1
  Al  Al68  1  0.258576  0.464345  0.518473  1
  Al  Al69  1  0.258206  0.146924  0.544190  1
  Al  Al70  1  0.716669  0.783025  0.492736  1
  Al  Al71  1  0.717219  0.464345  0.518473  1
  Al  Al72  1  0.717589  0.146924  0.544190  1
  Al  Al73  1  0.487897  1.014178  0.594895  1
  Al  Al74  1  0.487897  0.694892  0.619967  1
  Al  Al75  1  0.487897  0.328693  0.569712  1
  Al  Al76  1  0.760255  0.031835  0.634456  1
  Al  Al77  1  0.759724  0.669205  0.582129  1
  Al  Al78  1  0.758701  0.350866  0.608502  1
  Al  Al79  1  0.215540  0.031835  0.634456  1
  Al  Al80  1  0.216071  0.669205  0.582129  1
  Al  Al81  1  0.217094  0.350866  0.608502  1
  Al  Al82  1  -0.012103  0.856185  0.607519  1
  Al  Al83  1  -0.012103  0.532706  0.633899  1
  Al  Al84  1  -0.012103  0.171750  0.582523  1
  Al  Al85  1  0.259176  0.829224  0.569145  1
  Al  Al86  1  0.259146  0.509225  0.595491  1
  Al  Al87  1  0.259192  0.192193  0.621157  1
  Al  Al88  1  0.716619  0.829224  0.569145  1
  Al  Al89  1  0.716649  0.509225  0.595491  1
  Al  Al90  1  0.716603  0.192193  0.621157  1
  Al  Al91  1  0.487897  0.048662  0.671753  1
  Al  Al92  1  0.487897  0.738617  0.701827  1
  Al  Al93  1  0.487897  0.374341  0.646935  1
  Al  Al94  1  0.757992  0.078415  0.710543  1
  Al  Al95  1  0.759705  0.714730  0.657624  1
  Al  Al96  1  0.763359  0.395877  0.685597  1
  Al  Al97  1  0.217803  0.078415  0.710543  1
  Al  Al98  1  0.216090  0.714730  0.657624  1
  Al  Al99  1  0.212436  0.395877  0.685597  1
  Al  Al100  1  -0.012103  0.885243  0.688053  1
  Al  Al101  1  -0.012103  0.590915  0.713928  1
  Al  Al102  1  -0.012103  0.212151  0.659258  1
  Al  Al103  1  0.258602  0.873400  0.645988  1
  Al  Al104  1  0.261526  0.556326  0.670831  1
  Al  Al105  1  0.263491  0.237363  0.698744  1
  Al  Al106  1  0.717193  0.873400  0.645988  1
  Al  Al107  1  0.714269  0.556326  0.670831  1
  Al  Al108  1  0.712303  0.237363  0.698744  1
  Ni  Ni109  1  0.487897  0.671280  0.301376  1
  Ni  Ni110  1  0.487897  0.350160  0.325210  1
  Ni  Ni111  1  0.487897  0.986444  0.276074  1
  Ni  Ni112  1  0.232376  0.593712  0.306451  1
  Ni  Ni113  1  0.236556  0.272237  0.331517  1
  Ni  Ni114  1  0.242062  0.905491  0.282826  1
  Ni  Ni115  1  0.743419  0.593712  0.306451  1
  Ni  Ni116  1  0.739239  0.272237  0.331517  1
  Ni  Ni117  1  0.733733  0.905491  0.282826  1
  Ni  Ni118  1  0.487897  0.560500  0.269257  1
  Ni  Ni119  1  0.487897  0.238436  0.293774  1
  Ni  Ni120  1  0.487897  0.919604  0.319986  1
  Ni  Ni121  1  0.487897  0.780790  0.331262  1
  Ni  Ni122  1  0.487897  0.420828  0.280547  1
  Ni  Ni123  1  0.487897  0.097223  0.306196  1
  Ni  Ni124  1  -0.012103  0.829670  0.289022  1
  Ni  Ni125  1  -0.012103  0.509507  0.312663  1
  Ni  Ni126  1  -0.012103  0.146967  0.263706  1
  Ni  Ni127  1  0.734894  0.754479  0.296014  1
  Ni  Ni128  1  0.735395  0.431303  0.318948  1
  Ni  Ni129  1  0.743902  0.060678  0.270041  1
  Ni  Ni130  1  0.240901  0.754479  0.296014  1
  Ni  Ni131  1  0.240400  0.431303  0.318948  1
  Ni  Ni132  1  0.231893  0.060678  0.270041  1
  Ni  Ni133  1  -0.012103  0.766053  0.334388  1
  Ni  Ni134  1  -0.012103  0.399114  0.281139  1
  Ni  Ni135  1  -0.012103  0.078110  0.307036  1
  Ni  Ni136  1  -0.012103  0.582232  0.267865  1
  Ni  Ni137  1  -0.012103  0.259823  0.292714  1
  Ni  Ni138  1  -0.012103  0.938611  0.319241  1
  Ni  Ni139  1  0.487897  0.717361  0.377444  1
  Ni  Ni140  1  0.487897  0.398119  0.402485  1
  Ni  Ni141  1  0.487897  0.033165  0.351612  1
  Ni  Ni142  1  0.241714  0.634885  0.383911  1
  Ni  Ni143  1  0.238823  0.317624  0.408970  1
  Ni  Ni144  1  0.238965  0.954228  0.359071  1
  Ni  Ni145  1  0.734081  0.634885  0.383911  1
  Ni  Ni146  1  0.736972  0.317624  0.408970  1
  Ni  Ni147  1  0.736830  0.954228  0.359071  1
  Ni  Ni148  1  0.487897  0.607291  0.346509  1
  Ni  Ni149  1  0.487897  0.289012  0.370998  1
  Ni  Ni150  1  0.487897  0.970302  0.397110  1
  Ni  Ni151  1  0.487897  0.824175  0.409522  1
  Ni  Ni152  1  0.487897  0.459806  0.356806  1
  Ni  Ni153  1  0.487897  0.143029  0.382869  1
  Ni  Ni154  1  -0.012103  0.876049  0.365238  1
  Ni  Ni155  1  -0.012103  0.558197  0.389342  1
  Ni  Ni156  1  -0.012103  0.191597  0.337913  1
  Ni  Ni157  1  0.740848  0.794311  0.371842  1
  Ni  Ni158  1  0.740749  0.476405  0.396085  1
  Ni  Ni159  1  0.737654  0.113511  0.344872  1
  Ni  Ni160  1  0.234947  0.794311  0.371842  1
  Ni  Ni161  1  0.235046  0.476405  0.396085  1
  Ni  Ni162  1  0.238141  0.113511  0.344872  1
  Ni  Ni163  1  -0.012103  0.809497  0.410057  1
  Ni  Ni164  1  -0.012103  0.447808  0.358493  1
  Ni  Ni165  1  -0.012103  0.130405  0.383852  1
  Ni  Ni166  1  -0.012103  0.621243  0.342991  1
  Ni  Ni167  1  -0.012103  0.300739  0.369694  1
  Ni  Ni168  1  -0.012103  0.984554  0.396431  1
  Ni  Ni169  1  0.487897  0.758718  0.454539  1
  Ni  Ni170  1  0.487897  0.441513  0.479928  1
  Ni  Ni171  1  0.487897  0.079364  0.428431  1
  Ni  Ni172  1  0.236520  0.680015  0.460913  1
  Ni  Ni173  1  0.237624  0.362822  0.486211  1
  Ni  Ni174  1  0.236552  1.000372  0.434944  1
  Ni  Ni175  1  0.739275  0.680015  0.460913  1
  Ni  Ni176  1  0.738171  0.362822  0.486211  1
  Ni  Ni177  1  0.739243  1.000372  0.434944  1
  Ni  Ni178  1  0.487897  0.650420  0.422556  1
  Ni  Ni179  1  0.487897  0.333957  0.448121  1
  Ni  Ni180  1  0.487897  1.016278  0.474047  1
  Ni  Ni181  1  0.487897  0.869566  0.485409  1
  Ni  Ni182  1  0.487897  0.505248  0.434696  1
  Ni  Ni183  1  0.487897  0.188336  0.459845  1
  Ni  Ni184  1  -0.012103  0.919039  0.441537  1
  Ni  Ni185  1  -0.012103  0.599522  0.467321  1
  Ni  Ni186  1  -0.012103  0.238650  0.415473  1
  Ni  Ni187  1  0.736457  0.839880  0.448047  1
  Ni  Ni188  1  0.736812  0.521265  0.473529  1
  Ni  Ni189  1  0.737293  0.159589  0.421906  1
  Ni  Ni190  1  0.239338  0.839880  0.448047  1
  Ni  Ni191  1  0.238982  0.521265  0.473529  1
  Ni  Ni192  1  0.238502  0.159589  0.421906  1
  Ni  Ni193  1  -0.012103  0.856511  0.487006  1
  Ni  Ni194  1  -0.012103  0.492333  0.435002  1
  Ni  Ni195  1  -0.012103  0.175342  0.461240  1
  Ni  Ni196  1  -0.012103  0.663968  0.422260  1
  Ni  Ni197  1  -0.012103  0.346841  0.447193  1
  Ni  Ni198  1  -0.012103  1.029384  0.472545  1
  Ni  Ni199  1  0.487897  0.807651  0.530805  1
  Ni  Ni200  1  0.487897  0.487236  0.557010  1
  Ni  Ni201  1  0.487897  0.125482  0.505298  1
  Ni  Ni202  1  0.239686  0.726107  0.537457  1
  Ni  Ni203  1  0.238110  0.407307  0.563419  1
  Ni  Ni204  1  0.239489  0.045222  0.511800  1
  Ni  Ni205  1  0.736109  0.726107  0.537457  1
  Ni  Ni206  1  0.737684  0.407307  0.563419  1
  Ni  Ni207  1  0.736306  0.045222  0.511800  1
  Ni  Ni208  1  0.487897  0.696508  0.500023  1
  Ni  Ni209  1  0.487897  0.378604  0.525344  1
  Ni  Ni210  1  0.487897  0.061268  0.550429  1
  Ni  Ni211  1  0.487897  0.915866  0.562846  1
  Ni  Ni212  1  0.487897  0.550034  0.511372  1
  Ni  Ni213  1  0.487897  0.232602  0.537289  1
  Ni  Ni214  1  -0.012103  0.967131  0.518012  1
  Ni  Ni215  1  -0.012103  0.647291  0.544059  1
  Ni  Ni216  1  -0.012103  0.283578  0.492628  1
  Ni  Ni217  1  0.739765  0.886163  0.524473  1
  Ni  Ni218  1  0.739370  0.566047  0.550568  1
  Ni  Ni219  1  0.738742  0.203875  0.499105  1
  Ni  Ni220  1  0.236030  0.886163  0.524473  1
  Ni  Ni221  1  0.236425  0.566047  0.550568  1
  Ni  Ni222  1  0.237053  0.203875  0.499105  1
  Ni  Ni223  1  -0.012103  0.902278  0.562993  1
  Ni  Ni224  1  -0.012103  0.537243  0.512817  1
  Ni  Ni225  1  -0.012103  0.219961  0.537990  1
  Ni  Ni226  1  -0.012103  0.709461  0.498500  1
  Ni  Ni227  1  -0.012103  0.391360  0.524185  1
  Ni  Ni228  1  -0.012103  0.074067  0.550445  1
  Ni  Ni229  1  0.487897  0.848255  0.607844  1
  Ni  Ni230  1  0.487897  0.531169  0.634333  1
  Ni  Ni231  1  0.487897  0.167836  0.582920  1
  Ni  Ni232  1  0.233601  0.772644  0.613614  1
  Ni  Ni233  1  0.237347  0.452525  0.640482  1
  Ni  Ni234  1  0.233899  0.089800  0.589226  1
  Ni  Ni235  1  0.742194  0.772644  0.613614  1
  Ni  Ni236  1  0.738448  0.452525  0.640482  1
  Ni  Ni237  1  0.741896  0.089800  0.589226  1
  Ni  Ni238  1  0.487897  0.742176  0.575654  1
  Ni  Ni239  1  0.487897  0.423458  0.602507  1
  Ni  Ni240  1  0.487897  0.105986  0.628723  1
  Ni  Ni241  1  0.487897  0.958763  0.638170  1
  Ni  Ni242  1  0.487897  0.595875  0.588632  1
  Ni  Ni243  1  0.487897  0.278430  0.614123  1
  Ni  Ni244  1  -0.012103  1.007230  0.596111  1
  Ni  Ni245  1  -0.012103  0.690031  0.620382  1
  Ni  Ni246  1  -0.012103  0.327919  0.569883  1
  Ni  Ni247  1  0.732864  0.931451  0.601445  1
  Ni  Ni248  1  0.735579  0.612104  0.626632  1
  Ni  Ni249  1  0.736170  0.249189  0.576229  1
  Ni  Ni250  1  0.242931  0.931451  0.601445  1
  Ni  Ni251  1  0.240216  0.612104  0.626632  1
  Ni  Ni252  1  0.239625  0.249189  0.576229  1
  Ni  Ni253  1  -0.012103  0.945078  0.642821  1
  Ni  Ni254  1  -0.012103  0.581746  0.589240  1
  Ni  Ni255  1  -0.012103  0.265829  0.615640  1
  Ni  Ni256  1  -0.012103  0.756970  0.575561  1
  Ni  Ni257  1  -0.012103  0.436401  0.601603  1
  Ni  Ni258  1  -0.012103  0.118516  0.626452  1
  Ni  Ni259  1  0.487897  0.895687  0.683027  1
  Ni  Ni260  1  0.487897  0.583557  0.708655  1
  Ni  Ni261  1  0.487897  0.217436  0.659630  1
  Ni  Ni262  1  0.244653  0.814484  0.690575  1
  Ni  Ni263  1  0.234821  0.503602  0.715305  1
  Ni  Ni264  1  0.242474  0.135358  0.665835  1
  Ni  Ni265  1  0.731142  0.814484  0.690575  1
  Ni  Ni266  1  0.740974  0.503602  0.715305  1
  Ni  Ni267  1  0.733321  0.135358  0.665835  1
  Ni  Ni268  1  0.487897  0.785901  0.653958  1
  Ni  Ni269  1  0.487897  0.467527  0.681288  1
  Ni  Ni270  1  0.487897  0.145300  0.703965  1
  Ni  Ni271  1  0.487897  0.998568  0.715772  1
  Ni  Ni272  1  0.487897  0.646042  0.664381  1
  Ni  Ni273  1  0.487897  0.328000  0.691566  1
  Ni  Ni274  1  -0.012103  0.058193  0.672070  1
  Ni  Ni275  1  -0.012103  0.738804  0.695956  1
  Ni  Ni276  1  -0.012103  0.375035  0.647553  1
  Ni  Ni277  1  0.745012  0.971287  0.679912  1
  Ni  Ni278  1  0.737583  0.660434  0.702093  1
  Ni  Ni279  1  0.739603  0.294154  0.653384  1
  Ni  Ni280  1  0.230783  0.971287  0.679912  1
  Ni  Ni281  1  0.238212  0.660434  0.702093  1
  Ni  Ni282  1  0.236192  0.294154  0.653384  1
  Ni  Ni283  1  -0.012103  0.990100  0.716067  1
  Ni  Ni284  1  -0.012103  0.627971  0.666272  1
  Ni  Ni285  1  -0.012103  0.306422  0.692674  1
  Ni  Ni286  1  -0.012103  0.801226  0.650930  1
  Ni  Ni287  1  -0.012103  0.487783  0.679405  1
  Ni  Ni288  1  -0.012103  0.166731  0.704022  1
