# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50394251
_cell_length_b   16.90229320
_cell_length_c   47.75266537
_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   'Al96 Ni160'
_cell_volume   6056.65375451
_cell_formula_units_Z   32
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  0.502272  0.258092  0.295931  1
  Al  Al2  1  0.502272  0.677116  0.266161  1
  Al  Al3  1  0.785418  0.184248  0.267963  1
  Al  Al4  1  0.772078  0.759055  0.297796  1
  Al  Al5  1  0.219126  0.184248  0.267963  1
  Al  Al6  1  0.232466  0.759055  0.297796  1
  Al  Al7  1  0.002272  0.973960  0.278710  1
  Al  Al8  1  0.002272  0.546846  0.309055  1
  Al  Al9  1  0.274617  0.046701  0.311143  1
  Al  Al10  1  0.285695  0.474684  0.281362  1
  Al  Al11  1  0.729927  0.046701  0.311143  1
  Al  Al12  1  0.718849  0.474684  0.281362  1
  Al  Al13  1  0.502272  0.409889  0.355599  1
  Al  Al14  1  0.502272  0.835238  0.326328  1
  Al  Al15  1  0.775315  0.334638  0.326655  1
  Al  Al16  1  0.775644  0.909489  0.355254  1
  Al  Al17  1  0.229229  0.334638  0.326655  1
  Al  Al18  1  0.228900  0.909489  0.355254  1
  Al  Al19  1  0.002272  0.121244  0.342156  1
  Al  Al20  1  0.002272  0.696539  0.370967  1
  Al  Al21  1  0.275712  0.196785  0.370542  1
  Al  Al22  1  0.275236  0.621939  0.341800  1
  Al  Al23  1  0.728832  0.196785  0.370542  1
  Al  Al24  1  0.729308  0.621939  0.341800  1
  Al  Al25  1  0.502272  0.558618  0.414677  1
  Al  Al26  1  0.502272  0.983921  0.384966  1
  Al  Al27  1  0.775832  0.484107  0.384766  1
  Al  Al28  1  0.774533  0.058759  0.414418  1
  Al  Al29  1  0.228712  0.484107  0.384766  1
  Al  Al30  1  0.230011  0.058759  0.414418  1
  Al  Al31  1  0.002272  0.271435  0.399964  1
  Al  Al32  1  0.002272  0.846106  0.429257  1
  Al  Al33  1  0.274810  0.346238  0.429252  1
  Al  Al34  1  0.274759  0.771504  0.399970  1
  Al  Al35  1  0.729734  0.346238  0.429252  1
  Al  Al36  1  0.729785  0.771504  0.399970  1
  Al  Al37  1  0.502272  0.707941  0.473501  1
  Al  Al38  1  0.502272  0.133378  0.443985  1
  Al  Al39  1  0.774677  0.633359  0.444121  1
  Al  Al40  1  0.774569  0.208022  0.473412  1
  Al  Al41  1  0.229867  0.633359  0.444121  1
  Al  Al42  1  0.229975  0.208022  0.473412  1
  Al  Al43  1  0.002272  0.420698  0.458639  1
  Al  Al44  1  0.002272  0.995349  0.487992  1
  Al  Al45  1  0.274570  0.495231  0.488082  1
  Al  Al46  1  0.274564  0.920780  0.458526  1
  Al  Al47  1  0.729974  0.495231  0.488082  1
  Al  Al48  1  0.729980  0.920780  0.458526  1
  Al  Al49  1  0.502272  0.857263  0.532170  1
  Al  Al50  1  0.502272  0.282602  0.502843  1
  Al  Al51  1  0.774562  0.782621  0.502802  1
  Al  Al52  1  0.774577  0.357208  0.532313  1
  Al  Al53  1  0.229982  0.782621  0.502802  1
  Al  Al54  1  0.229967  0.357208  0.532313  1
  Al  Al55  1  0.002272  0.569849  0.517551  1
  Al  Al56  1  0.002272  0.144501  0.546919  1
  Al  Al57  1  0.274600  0.644404  0.546986  1
  Al  Al58  1  0.274595  0.069892  0.517509  1
  Al  Al59  1  0.729944  0.644404  0.546986  1
  Al  Al60  1  0.729949  0.069892  0.517509  1
  Al  Al61  1  0.502272  0.006416  0.591010  1
  Al  Al62  1  0.502272  0.431792  0.561740  1
  Al  Al63  1  0.774738  0.931811  0.561644  1
  Al  Al64  1  0.774939  0.506239  0.591211  1
  Al  Al65  1  0.229806  0.931811  0.561644  1
  Al  Al66  1  0.229605  0.506239  0.591211  1
  Al  Al67  1  0.002272  0.719076  0.576262  1
  Al  Al68  1  0.002272  0.294050  0.605585  1
  Al  Al69  1  0.274867  0.793830  0.605623  1
  Al  Al70  1  0.274763  0.219029  0.576275  1
  Al  Al71  1  0.729677  0.793830  0.605623  1
  Al  Al72  1  0.729781  0.219029  0.576275  1
  Al  Al73  1  0.502272  0.155775  0.649546  1
  Al  Al74  1  0.502272  0.580994  0.620523  1
  Al  Al75  1  0.775631  0.081022  0.620616  1
  Al  Al76  1  0.775078  0.655999  0.649929  1
  Al  Al77  1  0.228913  0.081022  0.620616  1
  Al  Al78  1  0.229466  0.655999  0.649929  1
  Al  Al79  1  0.002272  0.868510  0.635047  1
  Al  Al80  1  0.002272  0.442709  0.665056  1
  Al  Al81  1  0.275868  0.943017  0.664544  1
  Al  Al82  1  0.275540  0.368538  0.635579  1
  Al  Al83  1  0.728676  0.943017  0.664544  1
  Al  Al84  1  0.729004  0.368538  0.635579  1
  Al  Al85  1  0.502272  0.307972  0.710489  1
  Al  Al86  1  0.502272  0.730161  0.678743  1
  Al  Al87  1  0.774266  0.230295  0.678368  1
  Al  Al88  1  0.774724  0.805355  0.707847  1
  Al  Al89  1  0.230278  0.230295  0.678368  1
  Al  Al90  1  0.229820  0.805355  0.707847  1
  Al  Al91  1  0.002272  0.019624  0.695509  1
  Al  Al92  1  0.002272  0.588789  0.725808  1
  Al  Al93  1  0.285435  0.090219  0.723455  1
  Al  Al94  1  0.271700  0.518667  0.693800  1
  Al  Al95  1  0.719109  0.090219  0.723455  1
  Al  Al96  1  0.732844  0.518667  0.693800  1
  Ni  Ni97  1  0.502272  0.974085  0.282205  1
  Ni  Ni98  1  0.502272  0.547127  0.312359  1
  Ni  Ni99  1  0.250124  0.902798  0.303394  1
  Ni  Ni100  1  0.251791  0.331088  0.275149  1
  Ni  Ni101  1  0.754420  0.902798  0.303394  1
  Ni  Ni102  1  0.752753  0.331088  0.275149  1
  Ni  Ni103  1  0.502272  0.824183  0.276538  1
  Ni  Ni104  1  0.502272  0.396086  0.306520  1
  Ni  Ni105  1  0.502272  0.121661  0.287159  1
  Ni  Ni106  1  0.502272  0.696492  0.317142  1
  Ni  Ni107  1  0.002272  0.260127  0.298081  1
  Ni  Ni108  1  0.002272  0.685907  0.269529  1
  Ni  Ni109  1  0.751238  0.190190  0.319433  1
  Ni  Ni110  1  0.750536  0.616894  0.291000  1
  Ni  Ni111  1  0.253306  0.190190  0.319433  1
  Ni  Ni112  1  0.254008  0.616894  0.291000  1
  Ni  Ni113  1  0.002272  0.109793  0.293671  1
  Ni  Ni114  1  0.002272  0.683823  0.321920  1
  Ni  Ni115  1  0.002272  0.833356  0.273876  1
  Ni  Ni116  1  0.002272  0.408301  0.300942  1
  Ni  Ni117  1  0.502272  0.121680  0.340969  1
  Ni  Ni118  1  0.502272  0.696602  0.370739  1
  Ni  Ni119  1  0.253391  0.052806  0.362783  1
  Ni  Ni120  1  0.249805  0.478777  0.333113  1
  Ni  Ni121  1  0.751153  0.052806  0.362783  1
  Ni  Ni122  1  0.754739  0.478777  0.333113  1
  Ni  Ni123  1  0.502272  0.972391  0.335471  1
  Ni  Ni124  1  0.502272  0.546781  0.365210  1
  Ni  Ni125  1  0.502272  0.271657  0.346060  1
  Ni  Ni126  1  0.502272  0.846295  0.375824  1
  Ni  Ni127  1  0.002272  0.409130  0.355294  1
  Ni  Ni128  1  0.002272  0.833726  0.326699  1
  Ni  Ni129  1  0.752269  0.340409  0.377832  1
  Ni  Ni130  1  0.751697  0.765464  0.348700  1
  Ni  Ni131  1  0.252276  0.340409  0.377832  1
  Ni  Ni132  1  0.252847  0.765464  0.348700  1
  Ni  Ni133  1  0.002272  0.259445  0.350588  1
  Ni  Ni134  1  0.002272  0.834852  0.379680  1
  Ni  Ni135  1  0.002272  0.983856  0.330389  1
  Ni  Ni136  1  0.002272  0.558789  0.360223  1
  Ni  Ni137  1  0.502272  0.271506  0.399791  1
  Ni  Ni138  1  0.502272  0.846402  0.429131  1
  Ni  Ni139  1  0.252531  0.202452  0.421980  1
  Ni  Ni140  1  0.252377  0.627505  0.392802  1
  Ni  Ni141  1  0.752013  0.202452  0.421980  1
  Ni  Ni142  1  0.752167  0.627505  0.392802  1
  Ni  Ni143  1  0.502272  0.121699  0.394380  1
  Ni  Ni144  1  0.502272  0.696649  0.423942  1
  Ni  Ni145  1  0.502272  0.421077  0.405170  1
  Ni  Ni146  1  0.502272  0.995591  0.434614  1
  Ni  Ni147  1  0.002272  0.558779  0.414313  1
  Ni  Ni148  1  0.002272  0.984799  0.384490  1
  Ni  Ni149  1  0.752655  0.489894  0.436452  1
  Ni  Ni150  1  0.752950  0.915367  0.406905  1
  Ni  Ni151  1  0.251889  0.489894  0.436452  1
  Ni  Ni152  1  0.251594  0.915367  0.406905  1
  Ni  Ni153  1  0.002272  0.409327  0.408932  1
  Ni  Ni154  1  0.002272  0.984096  0.438230  1
  Ni  Ni155  1  0.002272  0.133739  0.390974  1
  Ni  Ni156  1  0.002272  0.708143  0.420305  1
  Ni  Ni157  1  0.502272  0.420905  0.458586  1
  Ni  Ni158  1  0.502272  0.995336  0.488019  1
  Ni  Ni159  1  0.252389  0.351664  0.480770  1
  Ni  Ni160  1  0.252466  0.777075  0.451388  1
  Ni  Ni161  1  0.752155  0.351664  0.480770  1
  Ni  Ni162  1  0.752078  0.777075  0.451388  1
  Ni  Ni163  1  0.502272  0.271361  0.453190  1
  Ni  Ni164  1  0.502272  0.846009  0.482522  1
  Ni  Ni165  1  0.502272  0.570082  0.464250  1
  Ni  Ni166  1  0.502272  0.144696  0.493599  1
  Ni  Ni167  1  0.002272  0.707959  0.473484  1
  Ni  Ni168  1  0.002272  0.133386  0.444029  1
  Ni  Ni169  1  0.752238  0.638850  0.495542  1
  Ni  Ni170  1  0.752236  0.064352  0.465976  1
  Ni  Ni171  1  0.252306  0.638850  0.495542  1
  Ni  Ni172  1  0.252308  0.064352  0.465976  1
  Ni  Ni173  1  0.002272  0.558495  0.467871  1
  Ni  Ni174  1  0.002272  0.133178  0.497309  1
  Ni  Ni175  1  0.002272  0.282843  0.449519  1
  Ni  Ni176  1  0.002272  0.857445  0.478861  1
  Ni  Ni177  1  0.502272  0.569752  0.517592  1
  Ni  Ni178  1  0.502272  0.144382  0.546931  1
  Ni  Ni179  1  0.252074  0.500763  0.539655  1
  Ni  Ni180  1  0.252242  0.926313  0.510089  1
  Ni  Ni181  1  0.752470  0.500763  0.539655  1
  Ni  Ni182  1  0.752302  0.926313  0.510089  1
  Ni  Ni183  1  0.502272  0.420479  0.512049  1
  Ni  Ni184  1  0.502272  0.995063  0.541403  1
  Ni  Ni185  1  0.502272  0.719248  0.523062  1
  Ni  Ni186  1  0.502272  0.293937  0.552500  1
  Ni  Ni187  1  0.002272  0.857256  0.532183  1
  Ni  Ni188  1  0.002272  0.282642  0.502820  1
  Ni  Ni189  1  0.752218  0.788182  0.554221  1
  Ni  Ni190  1  0.752235  0.213567  0.524853  1
  Ni  Ni191  1  0.252326  0.788182  0.554221  1
  Ni  Ni192  1  0.252309  0.213567  0.524853  1
  Ni  Ni193  1  0.002272  0.707782  0.526719  1
  Ni  Ni194  1  0.002272  0.282346  0.556107  1
  Ni  Ni195  1  0.002272  0.431963  0.508357  1
  Ni  Ni196  1  0.002272  0.006614  0.537729  1
  Ni  Ni197  1  0.502272  0.719053  0.576317  1
  Ni  Ni198  1  0.502272  0.293707  0.605988  1
  Ni  Ni199  1  0.252122  0.649985  0.598438  1
  Ni  Ni200  1  0.251932  0.075345  0.569045  1
  Ni  Ni201  1  0.752422  0.649985  0.598438  1
  Ni  Ni202  1  0.752612  0.075345  0.569045  1
  Ni  Ni203  1  0.502272  0.569588  0.570931  1
  Ni  Ni204  1  0.502272  0.144171  0.600184  1
  Ni  Ni205  1  0.502272  0.868621  0.581831  1
  Ni  Ni206  1  0.502272  0.443222  0.611406  1
  Ni  Ni207  1  0.002272  0.006236  0.591302  1
  Ni  Ni208  1  0.002272  0.431511  0.561861  1
  Ni  Ni209  1  0.752049  0.937353  0.613200  1
  Ni  Ni210  1  0.751801  0.362634  0.583914  1
  Ni  Ni211  1  0.252496  0.937353  0.613200  1
  Ni  Ni212  1  0.252744  0.362634  0.583914  1
  Ni  Ni213  1  0.002272  0.856976  0.585504  1
  Ni  Ni214  1  0.002272  0.431497  0.615365  1
  Ni  Ni215  1  0.002272  0.581057  0.567220  1
  Ni  Ni216  1  0.002272  0.155942  0.596533  1
  Ni  Ni217  1  0.502272  0.868513  0.635395  1
  Ni  Ni218  1  0.502272  0.443289  0.664724  1
  Ni  Ni219  1  0.252967  0.799867  0.656829  1
  Ni  Ni220  1  0.251973  0.225032  0.627547  1
  Ni  Ni221  1  0.751577  0.799867  0.656829  1
  Ni  Ni222  1  0.752571  0.225032  0.627547  1
  Ni  Ni223  1  0.502272  0.718942  0.629504  1
  Ni  Ni224  1  0.502272  0.293725  0.659811  1
  Ni  Ni225  1  0.502272  0.018208  0.640432  1
  Ni  Ni226  1  0.502272  0.592642  0.669815  1
  Ni  Ni227  1  0.002272  0.155902  0.650029  1
  Ni  Ni228  1  0.002272  0.581115  0.620639  1
  Ni  Ni229  1  0.753578  0.086976  0.671900  1
  Ni  Ni230  1  0.752873  0.512261  0.642706  1
  Ni  Ni231  1  0.250966  0.086976  0.671900  1
  Ni  Ni232  1  0.251671  0.512261  0.642706  1
  Ni  Ni233  1  0.002272  0.006081  0.645172  1
  Ni  Ni234  1  0.002272  0.581868  0.674380  1
  Ni  Ni235  1  0.002272  0.730663  0.625726  1
  Ni  Ni236  1  0.002272  0.305686  0.654872  1
  Ni  Ni237  1  0.502272  0.017866  0.693104  1
  Ni  Ni238  1  0.502272  0.591248  0.722655  1
  Ni  Ni239  1  0.252926  0.945334  0.716165  1
  Ni  Ni240  1  0.254104  0.374001  0.687588  1
  Ni  Ni241  1  0.751618  0.945334  0.716165  1
  Ni  Ni242  1  0.750440  0.374001  0.687588  1
  Ni  Ni243  1  0.502272  0.868276  0.689917  1
  Ni  Ni244  1  0.502272  0.444738  0.717695  1
  Ni  Ni245  1  0.502272  0.169442  0.698650  1
  Ni  Ni246  1  0.502272  0.740404  0.728098  1
  Ni  Ni247  1  0.002272  0.303530  0.707194  1
  Ni  Ni248  1  0.002272  0.731673  0.678489  1
  Ni  Ni249  1  0.753702  0.234703  0.729355  1
  Ni  Ni250  1  0.754599  0.661713  0.701550  1
  Ni  Ni251  1  0.250842  0.234703  0.729355  1
  Ni  Ni252  1  0.249945  0.661713  0.701550  1
  Ni  Ni253  1  0.002272  0.156459  0.704130  1
  Ni  Ni254  1  0.002272  0.729500  0.731032  1
  Ni  Ni255  1  0.002272  0.881546  0.684465  1
  Ni  Ni256  1  0.002272  0.447823  0.714992  1
