# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.27718285
_cell_length_b   12.95394836
_cell_length_c   53.48206190
_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   'Al72 Ni120'
_cell_volume   5041.66042723
_cell_formula_units_Z   24
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  0.503683  0.249787  0.349877  1
  Al  Al2  1  0.503683  0.484309  0.386705  1
  Al  Al3  1  0.503683  0.008203  0.311028  1
  Al  Al4  1  0.768685  0.131236  0.332060  1
  Al  Al5  1  0.768871  0.366859  0.368027  1
  Al  Al6  1  0.775237  0.888301  0.291458  1
  Al  Al7  1  0.238680  0.131236  0.332060  1
  Al  Al8  1  0.238494  0.366859  0.368027  1
  Al  Al9  1  0.232129  0.888301  0.291458  1
  Al  Al10  1  0.003683  0.396497  0.291540  1
  Al  Al11  1  0.003683  0.631759  0.332675  1
  Al  Al12  1  0.003683  0.866950  0.368045  1
  Al  Al13  1  0.276006  0.270523  0.275136  1
  Al  Al14  1  0.267089  0.512288  0.312318  1
  Al  Al15  1  0.269080  0.749697  0.350112  1
  Al  Al16  1  0.731359  0.270523  0.275136  1
  Al  Al17  1  0.740277  0.512288  0.312318  1
  Al  Al18  1  0.738285  0.749697  0.350112  1
  Al  Al19  1  0.503683  0.955449  0.460853  1
  Al  Al20  1  0.503683  0.190949  0.497935  1
  Al  Al21  1  0.503683  0.720034  0.424003  1
  Al  Al22  1  0.768111  0.837827  0.442426  1
  Al  Al23  1  0.768067  0.073163  0.479358  1
  Al  Al24  1  0.767909  0.602053  0.405370  1
  Al  Al25  1  0.239255  0.837827  0.442426  1
  Al  Al26  1  0.239298  0.073163  0.479358  1
  Al  Al27  1  0.239457  0.602053  0.405370  1
  Al  Al28  1  0.003683  0.102010  0.405241  1
  Al  Al29  1  0.003683  0.337726  0.442401  1
  Al  Al30  1  0.003683  0.573208  0.479486  1
  Al  Al31  1  0.268937  0.984315  0.386419  1
  Al  Al32  1  0.268152  0.219957  0.423880  1
  Al  Al33  1  0.268094  0.455465  0.460929  1
  Al  Al34  1  0.738428  0.984315  0.386419  1
  Al  Al35  1  0.739213  0.219957  0.423880  1
  Al  Al36  1  0.739272  0.455465  0.460929  1
  Al  Al37  1  0.503683  0.661983  0.572193  1
  Al  Al38  1  0.503683  0.897338  0.609304  1
  Al  Al39  1  0.503683  0.426557  0.535151  1
  Al  Al40  1  0.768152  0.544227  0.553690  1
  Al  Al41  1  0.768079  0.779776  0.590791  1
  Al  Al42  1  0.768112  0.308777  0.516552  1
  Al  Al43  1  0.239214  0.544227  0.553690  1
  Al  Al44  1  0.239286  0.779776  0.590791  1
  Al  Al45  1  0.239254  0.308777  0.516552  1
  Al  Al46  1  0.003683  0.808691  0.516581  1
  Al  Al47  1  0.003683  0.044035  0.553464  1
  Al  Al48  1  0.003683  0.279889  0.590618  1
  Al  Al49  1  0.268059  0.690953  0.498052  1
  Al  Al50  1  0.268077  0.926371  0.535051  1
  Al  Al51  1  0.268197  0.161875  0.571918  1
  Al  Al52  1  0.739307  0.690953  0.498052  1
  Al  Al53  1  0.739289  0.926371  0.535051  1
  Al  Al54  1  0.739169  0.161875  0.571918  1
  Al  Al55  1  0.503683  0.370134  0.684723  1
  Al  Al56  1  0.503683  0.618263  0.721740  1
  Al  Al57  1  0.503683  0.131775  0.645974  1
  Al  Al58  1  0.765784  0.250129  0.663363  1
  Al  Al59  1  0.776819  0.484731  0.704293  1
  Al  Al60  1  0.768733  0.014965  0.627791  1
  Al  Al61  1  0.241582  0.250129  0.663363  1
  Al  Al62  1  0.230547  0.484731  0.704293  1
  Al  Al63  1  0.238632  0.014965  0.627791  1
  Al  Al64  1  0.003683  0.515035  0.628069  1
  Al  Al65  1  0.003683  0.749856  0.664322  1
  Al  Al66  1  0.003683  0.998473  0.705606  1
  Al  Al67  1  0.268754  0.397736  0.609520  1
  Al  Al68  1  0.269260  0.632519  0.646376  1
  Al  Al69  1  0.263657  0.872680  0.683664  1
  Al  Al70  1  0.738612  0.397736  0.609520  1
  Al  Al71  1  0.738106  0.632519  0.646376  1
  Al  Al72  1  0.743709  0.872680  0.683664  1
  Ni  Ni73  1  0.503683  0.393288  0.295685  1
  Ni  Ni74  1  0.503683  0.631282  0.332148  1
  Ni  Ni75  1  0.503683  0.866842  0.367911  1
  Ni  Ni76  1  0.753029  0.175751  0.377728  1
  Ni  Ni77  1  0.753351  0.703794  0.304575  1
  Ni  Ni78  1  0.751889  0.938628  0.339506  1
  Ni  Ni79  1  0.254336  0.175751  0.377728  1
  Ni  Ni80  1  0.254014  0.703794  0.304575  1
  Ni  Ni81  1  0.255476  0.938628  0.339506  1
  Ni  Ni82  1  0.503683  0.199729  0.305226  1
  Ni  Ni83  1  0.503683  0.438397  0.341058  1
  Ni  Ni84  1  0.503683  0.674019  0.378512  1
  Ni  Ni85  1  0.503683  0.058600  0.357424  1
  Ni  Ni86  1  0.503683  0.596089  0.287157  1
  Ni  Ni87  1  0.503683  0.820475  0.319973  1
  Ni  Ni88  1  0.003683  0.249049  0.349835  1
  Ni  Ni89  1  0.003683  0.484642  0.386561  1
  Ni  Ni90  1  0.003683  0.011345  0.313412  1
  Ni  Ni91  1  0.251187  0.321117  0.321568  1
  Ni  Ni92  1  0.254043  0.557489  0.358838  1
  Ni  Ni93  1  0.244454  0.087030  0.287460  1
  Ni  Ni94  1  0.756178  0.321117  0.321568  1
  Ni  Ni95  1  0.753323  0.557489  0.358838  1
  Ni  Ni96  1  0.762912  0.087030  0.287460  1
  Ni  Ni97  1  0.003683  0.055141  0.359683  1
  Ni  Ni98  1  0.003683  0.593252  0.288314  1
  Ni  Ni99  1  0.003683  0.819655  0.322527  1
  Ni  Ni100  1  0.003683  0.206230  0.302842  1
  Ni  Ni101  1  0.003683  0.440792  0.338824  1
  Ni  Ni102  1  0.003683  0.678093  0.377370  1
  Ni  Ni103  1  0.503683  0.102018  0.405177  1
  Ni  Ni104  1  0.503683  0.337778  0.442390  1
  Ni  Ni105  1  0.503683  0.573209  0.479497  1
  Ni  Ni106  1  0.753687  0.882091  0.488730  1
  Ni  Ni107  1  0.753920  0.411034  0.414516  1
  Ni  Ni108  1  0.753659  0.646583  0.451711  1
  Ni  Ni109  1  0.253679  0.882091  0.488730  1
  Ni  Ni110  1  0.253445  0.411034  0.414516  1
  Ni  Ni111  1  0.253707  0.646583  0.451711  1
  Ni  Ni112  1  0.503683  0.909509  0.415168  1
  Ni  Ni113  1  0.503683  0.144852  0.452266  1
  Ni  Ni114  1  0.503683  0.380525  0.489449  1
  Ni  Ni115  1  0.503683  0.766021  0.469586  1
  Ni  Ni116  1  0.503683  0.295300  0.395432  1
  Ni  Ni117  1  0.503683  0.530355  0.432426  1
  Ni  Ni118  1  0.003683  0.955499  0.460844  1
  Ni  Ni119  1  0.003683  0.190957  0.497941  1
  Ni  Ni120  1  0.003683  0.720008  0.424021  1
  Ni  Ni121  1  0.253725  0.028695  0.432954  1
  Ni  Ni122  1  0.253695  0.264371  0.470197  1
  Ni  Ni123  1  0.253874  0.793723  0.396213  1
  Ni  Ni124  1  0.753640  0.028695  0.432954  1
  Ni  Ni125  1  0.753671  0.264371  0.470197  1
  Ni  Ni126  1  0.753492  0.793723  0.396213  1
  Ni  Ni127  1  0.003683  0.762767  0.470937  1
  Ni  Ni128  1  0.003683  0.291825  0.396753  1
  Ni  Ni129  1  0.003683  0.527132  0.433783  1
  Ni  Ni130  1  0.003683  0.912706  0.413791  1
  Ni  Ni131  1  0.003683  0.148166  0.450900  1
  Ni  Ni132  1  0.003683  0.383757  0.488073  1
  Ni  Ni133  1  0.503683  0.808674  0.516574  1
  Ni  Ni134  1  0.503683  0.044052  0.553492  1
  Ni  Ni135  1  0.503683  0.280014  0.590595  1
  Ni  Ni136  1  0.753545  0.588481  0.600054  1
  Ni  Ni137  1  0.753691  0.117489  0.525673  1
  Ni  Ni138  1  0.753741  0.353284  0.562972  1
  Ni  Ni139  1  0.253820  0.588481  0.600054  1
  Ni  Ni140  1  0.253675  0.117489  0.525673  1
  Ni  Ni141  1  0.253625  0.353284  0.562972  1
  Ni  Ni142  1  0.503683  0.615969  0.526538  1
  Ni  Ni143  1  0.503683  0.851470  0.563601  1
  Ni  Ni144  1  0.503683  0.086420  0.600385  1
  Ni  Ni145  1  0.503683  0.472612  0.580881  1
  Ni  Ni146  1  0.503683  1.001372  0.506514  1
  Ni  Ni147  1  0.503683  0.237086  0.543582  1
  Ni  Ni148  1  0.003683  0.661958  0.572201  1
  Ni  Ni149  1  0.003683  0.897379  0.609339  1
  Ni  Ni150  1  0.003683  0.426503  0.535145  1
  Ni  Ni151  1  0.253658  0.735344  0.544410  1
  Ni  Ni152  1  0.253628  0.970740  0.581389  1
  Ni  Ni153  1  0.253677  0.499857  0.507310  1
  Ni  Ni154  1  0.753708  0.735344  0.544410  1
  Ni  Ni155  1  0.753737  0.970740  0.581389  1
  Ni  Ni156  1  0.753689  0.499857  0.507310  1
  Ni  Ni157  1  0.003683  0.469353  0.582274  1
  Ni  Ni158  1  0.003683  0.998127  0.507850  1
  Ni  Ni159  1  0.003683  0.233700  0.544981  1
  Ni  Ni160  1  0.003683  0.619191  0.525169  1
  Ni  Ni161  1  0.003683  0.854668  0.562256  1
  Ni  Ni162  1  0.003683  0.089910  0.598980  1
  Ni  Ni163  1  0.503683  0.515248  0.628219  1
  Ni  Ni164  1  0.503683  0.752352  0.664145  1
  Ni  Ni165  1  0.503683  0.991711  0.699620  1
  Ni  Ni166  1  0.757826  0.285066  0.708063  1
  Ni  Ni167  1  0.754718  0.824674  0.637324  1
  Ni  Ni168  1  0.756684  0.062378  0.674473  1
  Ni  Ni169  1  0.249540  0.285066  0.708063  1
  Ni  Ni170  1  0.252648  0.824674  0.637324  1
  Ni  Ni171  1  0.250681  0.062378  0.674473  1
  Ni  Ni172  1  0.503683  0.323156  0.638207  1
  Ni  Ni173  1  0.503683  0.558992  0.675997  1
  Ni  Ni174  1  0.503683  0.797829  0.709228  1
  Ni  Ni175  1  0.503683  0.176963  0.691282  1
  Ni  Ni176  1  0.503683  0.708054  0.617779  1
  Ni  Ni177  1  0.503683  0.943536  0.654751  1
  Ni  Ni178  1  0.003683  0.367482  0.682450  1
  Ni  Ni179  1  0.003683  0.619667  0.716810  1
  Ni  Ni180  1  0.003683  0.133187  0.645517  1
  Ni  Ni181  1  0.255422  0.442725  0.656524  1
  Ni  Ni182  1  0.257824  0.680078  0.692013  1
  Ni  Ni183  1  0.254822  0.205926  0.617924  1
  Ni  Ni184  1  0.751944  0.442725  0.656524  1
  Ni  Ni185  1  0.749542  0.680078  0.692013  1
  Ni  Ni186  1  0.752543  0.205926  0.617924  1
  Ni  Ni187  1  0.003683  0.177649  0.691683  1
  Ni  Ni188  1  0.003683  0.704241  0.619099  1
  Ni  Ni189  1  0.003683  0.942155  0.657141  1
  Ni  Ni190  1  0.003683  0.326366  0.636195  1
  Ni  Ni191  1  0.003683  0.560587  0.673358  1
  Ni  Ni192  1  0.003683  0.798731  0.708456  1
