# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72503047
_cell_length_b   18.12633449
_cell_length_c   49.19460311
_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   6888.54741137
_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  0.282005  1
  Al  Al2  1  0.487897  0.515168  0.313656  1
  Al  Al3  1  0.487897  0.135768  0.259450  1
  Al  Al4  1  0.759550  0.852807  0.327884  1
  Al  Al5  1  0.763004  0.490568  0.274152  1
  Al  Al6  1  0.760599  0.169792  0.299671  1
  Al  Al7  1  0.216245  0.852807  0.327884  1
  Al  Al8  1  0.212791  0.490568  0.274152  1
  Al  Al9  1  0.215195  0.169792  0.299671  1
  Al  Al10  1  0.987897  0.680672  0.298221  1
  Al  Al11  1  0.987897  0.353540  0.325925  1
  Al  Al12  1  0.987897  0.977524  0.271612  1
  Al  Al13  1  0.275034  0.656612  0.262593  1
  Al  Al14  1  0.263437  0.328834  0.286053  1
  Al  Al15  1  0.260929  1.009074  0.314653  1
  Al  Al16  1  0.700760  0.656612  0.262593  1
  Al  Al17  1  0.712357  0.328834  0.286053  1
  Al  Al18  1  0.714866  1.009074  0.314653  1
  Al  Al19  1  0.487897  0.872930  0.365106  1
  Al  Al20  1  0.487897  0.553067  0.390188  1
  Al  Al21  1  0.487897  0.193268  0.338607  1
  Al  Al22  1  0.759689  0.897114  0.403490  1
  Al  Al23  1  0.760044  0.534056  0.351011  1
  Al  Al24  1  0.758359  0.215804  0.376724  1
  Al  Al25  1  0.216106  0.897114  0.403490  1
  Al  Al26  1  0.215750  0.534056  0.351011  1
  Al  Al27  1  0.217435  0.215804  0.376724  1
  Al  Al28  1  0.987897  0.711403  0.377882  1
  Al  Al29  1  0.987897  0.395494  0.402630  1
  Al  Al30  1  0.987897  0.033507  0.351949  1
  Al  Al31  1  0.259869  0.693187  0.339559  1
  Al  Al32  1  0.258414  0.374284  0.363852  1
  Al  Al33  1  0.259184  0.057291  0.390071  1
  Al  Al34  1  0.715925  0.693187  0.339559  1
  Al  Al35  1  0.717380  0.374284  0.363852  1
  Al  Al36  1  0.716611  0.057291  0.390071  1
  Al  Al37  1  0.487897  0.921326  0.441423  1
  Al  Al38  1  0.487897  0.601603  0.467150  1
  Al  Al39  1  0.487897  0.238605  0.415433  1
  Al  Al40  1  0.759132  0.942966  0.479702  1
  Al  Al41  1  0.758646  0.578022  0.428610  1
  Al  Al42  1  0.758603  0.261078  0.454083  1
  Al  Al43  1  0.216663  0.942966  0.479702  1
  Al  Al44  1  0.217149  0.578022  0.428610  1
  Al  Al45  1  0.217191  0.261078  0.454083  1
  Al  Al46  1  0.987897  0.760964  0.454449  1
  Al  Al47  1  0.987897  0.442730  0.479739  1
  Al  Al48  1  0.987897  0.081156  0.428374  1
  Al  Al49  1  0.259340  0.737065  0.416227  1
  Al  Al50  1  0.258318  0.419602  0.441144  1
  Al  Al51  1  0.258852  0.102338  0.466879  1
  Al  Al52  1  0.716454  0.737065  0.416227  1
  Al  Al53  1  0.717476  0.419602  0.441144  1
  Al  Al54  1  0.716942  0.102338  0.466879  1
  Al  Al55  1  0.487897  0.964350  0.518237  1
  Al  Al56  1  0.487897  0.644479  0.544132  1
  Al  Al57  1  0.487897  0.283149  0.492700  1
  Al  Al58  1  0.758632  0.988272  0.556712  1
  Al  Al59  1  0.758917  0.623312  0.505742  1
  Al  Al60  1  0.758427  0.305697  0.531221  1
  Al  Al61  1  0.217162  0.988272  0.556712  1
  Al  Al62  1  0.216877  0.623312  0.505742  1
  Al  Al63  1  0.217367  0.305697  0.531221  1
  Al  Al64  1  0.987897  0.804763  0.531062  1
  Al  Al65  1  0.987897  0.485679  0.557055  1
  Al  Al66  1  0.987897  0.123515  0.505677  1
  Al  Al67  1  0.259125  0.783024  0.492741  1
  Al  Al68  1  0.258576  0.464344  0.518478  1
  Al  Al69  1  0.258206  0.146923  0.544195  1
  Al  Al70  1  0.716669  0.783024  0.492741  1
  Al  Al71  1  0.717218  0.464344  0.518478  1
  Al  Al72  1  0.717588  0.146923  0.544195  1
  Al  Al73  1  0.487897  1.014176  0.594900  1
  Al  Al74  1  0.487897  0.694890  0.619973  1
  Al  Al75  1  0.487897  0.328691  0.569717  1
  Al  Al76  1  0.760255  0.031833  0.634462  1
  Al  Al77  1  0.759724  0.669203  0.582134  1
  Al  Al78  1  0.758701  0.350864  0.608507  1
  Al  Al79  1  0.215540  0.031833  0.634462  1
  Al  Al80  1  0.216071  0.669203  0.582134  1
  Al  Al81  1  0.217093  0.350864  0.608507  1
  Al  Al82  1  0.987897  0.856184  0.607524  1
  Al  Al83  1  0.987897  0.532705  0.633904  1
  Al  Al84  1  0.987897  0.171749  0.582528  1
  Al  Al85  1  0.259176  0.829223  0.569150  1
  Al  Al86  1  0.259146  0.509224  0.595496  1
  Al  Al87  1  0.259192  0.192191  0.621163  1
  Al  Al88  1  0.716618  0.829223  0.569150  1
  Al  Al89  1  0.716649  0.509224  0.595496  1
  Al  Al90  1  0.716602  0.192191  0.621163  1
  Al  Al91  1  0.487897  0.048660  0.671759  1
  Al  Al92  1  0.487897  0.738615  0.701833  1
  Al  Al93  1  0.487897  0.374339  0.646940  1
  Al  Al94  1  0.757991  0.078413  0.710550  1
  Al  Al95  1  0.759705  0.714728  0.657630  1
  Al  Al96  1  0.763359  0.395875  0.685603  1
  Al  Al97  1  0.217803  0.078413  0.710550  1
  Al  Al98  1  0.216090  0.714728  0.657630  1
  Al  Al99  1  0.212436  0.395875  0.685603  1
  Al  Al100  1  0.987897  0.885241  0.688059  1
  Al  Al101  1  0.987897  0.590913  0.713934  1
  Al  Al102  1  0.987897  0.212149  0.659263  1
  Al  Al103  1  0.258602  0.873398  0.645994  1
  Al  Al104  1  0.261526  0.556324  0.670837  1
  Al  Al105  1  0.263491  0.237361  0.698750  1
  Al  Al106  1  0.717192  0.873398  0.645994  1
  Al  Al107  1  0.714268  0.556324  0.670837  1
  Al  Al108  1  0.712303  0.237361  0.698750  1
  Ni  Ni109  1  0.487897  0.671279  0.301379  1
  Ni  Ni110  1  0.487897  0.350160  0.325213  1
  Ni  Ni111  1  0.487897  0.986444  0.276077  1
  Ni  Ni112  1  0.232376  0.593711  0.306454  1
  Ni  Ni113  1  0.236556  0.272236  0.331520  1
  Ni  Ni114  1  0.242061  0.905491  0.282829  1
  Ni  Ni115  1  0.743418  0.593711  0.306454  1
  Ni  Ni116  1  0.739239  0.272236  0.331520  1
  Ni  Ni117  1  0.733733  0.905491  0.282829  1
  Ni  Ni118  1  0.487897  0.560499  0.269260  1
  Ni  Ni119  1  0.487897  0.238436  0.293777  1
  Ni  Ni120  1  0.487897  0.919603  0.319990  1
  Ni  Ni121  1  0.487897  0.780790  0.331265  1
  Ni  Ni122  1  0.487897  0.420827  0.280550  1
  Ni  Ni123  1  0.487897  0.097223  0.306199  1
  Ni  Ni124  1  0.987897  0.829670  0.289025  1
  Ni  Ni125  1  0.987897  0.509507  0.312666  1
  Ni  Ni126  1  0.987897  0.146966  0.263709  1
  Ni  Ni127  1  0.734894  0.754478  0.296016  1
  Ni  Ni128  1  0.735395  0.431302  0.318951  1
  Ni  Ni129  1  0.743901  0.060678  0.270044  1
  Ni  Ni130  1  0.240901  0.754478  0.296016  1
  Ni  Ni131  1  0.240400  0.431302  0.318951  1
  Ni  Ni132  1  0.231893  0.060678  0.270044  1
  Ni  Ni133  1  0.987897  0.766052  0.334392  1
  Ni  Ni134  1  0.987897  0.399114  0.281142  1
  Ni  Ni135  1  0.987897  0.078109  0.307039  1
  Ni  Ni136  1  0.987897  0.582232  0.267868  1
  Ni  Ni137  1  0.987897  0.259822  0.292717  1
  Ni  Ni138  1  0.987897  0.938610  0.319244  1
  Ni  Ni139  1  0.487897  0.717361  0.377448  1
  Ni  Ni140  1  0.487897  0.398118  0.402489  1
  Ni  Ni141  1  0.487897  0.033165  0.351615  1
  Ni  Ni142  1  0.241714  0.634884  0.383915  1
  Ni  Ni143  1  0.238822  0.317623  0.408974  1
  Ni  Ni144  1  0.238965  0.954227  0.359075  1
  Ni  Ni145  1  0.734080  0.634884  0.383915  1
  Ni  Ni146  1  0.736972  0.317623  0.408974  1
  Ni  Ni147  1  0.736829  0.954227  0.359075  1
  Ni  Ni148  1  0.487897  0.607290  0.346512  1
  Ni  Ni149  1  0.487897  0.289011  0.371001  1
  Ni  Ni150  1  0.487897  0.970301  0.397114  1
  Ni  Ni151  1  0.487897  0.824174  0.409526  1
  Ni  Ni152  1  0.487897  0.459806  0.356810  1
  Ni  Ni153  1  0.487897  0.143028  0.382873  1
  Ni  Ni154  1  0.987897  0.876048  0.365241  1
  Ni  Ni155  1  0.987897  0.558196  0.389346  1
  Ni  Ni156  1  0.987897  0.191596  0.337916  1
  Ni  Ni157  1  0.740848  0.794310  0.371846  1
  Ni  Ni158  1  0.740748  0.476404  0.396089  1
  Ni  Ni159  1  0.737654  0.113511  0.344875  1
  Ni  Ni160  1  0.234946  0.794310  0.371846  1
  Ni  Ni161  1  0.235046  0.476404  0.396089  1
  Ni  Ni162  1  0.238140  0.113511  0.344875  1
  Ni  Ni163  1  0.987897  0.809496  0.410061  1
  Ni  Ni164  1  0.987897  0.447807  0.358496  1
  Ni  Ni165  1  0.987897  0.130404  0.383856  1
  Ni  Ni166  1  0.987897  0.621242  0.342995  1
  Ni  Ni167  1  0.987897  0.300739  0.369697  1
  Ni  Ni168  1  0.987897  0.984553  0.396434  1
  Ni  Ni169  1  0.487897  0.758716  0.454543  1
  Ni  Ni170  1  0.487897  0.441512  0.479932  1
  Ni  Ni171  1  0.487897  0.079363  0.428435  1
  Ni  Ni172  1  0.236520  0.680013  0.460917  1
  Ni  Ni173  1  0.237624  0.362820  0.486216  1
  Ni  Ni174  1  0.236552  1.000371  0.434948  1
  Ni  Ni175  1  0.739274  0.680013  0.460917  1
  Ni  Ni176  1  0.738170  0.362820  0.486216  1
  Ni  Ni177  1  0.739242  1.000371  0.434948  1
  Ni  Ni178  1  0.487897  0.650419  0.422560  1
  Ni  Ni179  1  0.487897  0.333956  0.448125  1
  Ni  Ni180  1  0.487897  1.016276  0.474051  1
  Ni  Ni181  1  0.487897  0.869565  0.485413  1
  Ni  Ni182  1  0.487897  0.505247  0.434700  1
  Ni  Ni183  1  0.487897  0.188335  0.459849  1
  Ni  Ni184  1  0.987897  0.919038  0.441541  1
  Ni  Ni185  1  0.987897  0.599520  0.467325  1
  Ni  Ni186  1  0.987897  0.238649  0.415477  1
  Ni  Ni187  1  0.736457  0.839879  0.448051  1
  Ni  Ni188  1  0.736812  0.521264  0.473534  1
  Ni  Ni189  1  0.737293  0.159588  0.421910  1
  Ni  Ni190  1  0.239337  0.839879  0.448051  1
  Ni  Ni191  1  0.238982  0.521264  0.473534  1
  Ni  Ni192  1  0.238501  0.159588  0.421910  1
  Ni  Ni193  1  0.987897  0.856510  0.487010  1
  Ni  Ni194  1  0.987897  0.492332  0.435006  1
  Ni  Ni195  1  0.987897  0.175340  0.461244  1
  Ni  Ni196  1  0.987897  0.663967  0.422264  1
  Ni  Ni197  1  0.987897  0.346840  0.447197  1
  Ni  Ni198  1  0.987897  1.029382  0.472549  1
  Ni  Ni199  1  0.487897  0.807650  0.530810  1
  Ni  Ni200  1  0.487897  0.487235  0.557015  1
  Ni  Ni201  1  0.487897  0.125481  0.505302  1
  Ni  Ni202  1  0.239685  0.726106  0.537462  1
  Ni  Ni203  1  0.238110  0.407305  0.563424  1
  Ni  Ni204  1  0.239488  0.045220  0.511805  1
  Ni  Ni205  1  0.736109  0.726106  0.537462  1
  Ni  Ni206  1  0.737684  0.407305  0.563424  1
  Ni  Ni207  1  0.736306  0.045220  0.511805  1
  Ni  Ni208  1  0.487897  0.696507  0.500028  1
  Ni  Ni209  1  0.487897  0.378602  0.525349  1
  Ni  Ni210  1  0.487897  0.061266  0.550434  1
  Ni  Ni211  1  0.487897  0.915865  0.562851  1
  Ni  Ni212  1  0.487897  0.550032  0.511376  1
  Ni  Ni213  1  0.487897  0.232601  0.537293  1
  Ni  Ni214  1  0.987897  0.967129  0.518017  1
  Ni  Ni215  1  0.987897  0.647290  0.544064  1
  Ni  Ni216  1  0.987897  0.283577  0.492633  1
  Ni  Ni217  1  0.739765  0.886161  0.524478  1
  Ni  Ni218  1  0.739370  0.566045  0.550573  1
  Ni  Ni219  1  0.738742  0.203874  0.499109  1
  Ni  Ni220  1  0.236030  0.886161  0.524478  1
  Ni  Ni221  1  0.236425  0.566045  0.550573  1
  Ni  Ni222  1  0.237052  0.203874  0.499109  1
  Ni  Ni223  1  0.987897  0.902277  0.562998  1
  Ni  Ni224  1  0.987897  0.537241  0.512822  1
  Ni  Ni225  1  0.987897  0.219960  0.537995  1
  Ni  Ni226  1  0.987897  0.709460  0.498505  1
  Ni  Ni227  1  0.987897  0.391359  0.524189  1
  Ni  Ni228  1  0.987897  0.074065  0.550450  1
  Ni  Ni229  1  0.487897  0.848254  0.607850  1
  Ni  Ni230  1  0.487897  0.531167  0.634339  1
  Ni  Ni231  1  0.487897  0.167834  0.582926  1
  Ni  Ni232  1  0.233601  0.772643  0.613619  1
  Ni  Ni233  1  0.237347  0.452523  0.640488  1
  Ni  Ni234  1  0.233899  0.089799  0.589231  1
  Ni  Ni235  1  0.742194  0.772643  0.613619  1
  Ni  Ni236  1  0.738447  0.452523  0.640488  1
  Ni  Ni237  1  0.741896  0.089799  0.589231  1
  Ni  Ni238  1  0.487897  0.742174  0.575659  1
  Ni  Ni239  1  0.487897  0.423457  0.602513  1
  Ni  Ni240  1  0.487897  0.105985  0.628728  1
  Ni  Ni241  1  0.487897  0.958761  0.638176  1
  Ni  Ni242  1  0.487897  0.595874  0.588637  1
  Ni  Ni243  1  0.487897  0.278428  0.614129  1
  Ni  Ni244  1  0.987897  1.007229  0.596117  1
  Ni  Ni245  1  0.987897  0.690029  0.620387  1
  Ni  Ni246  1  0.987897  0.327917  0.569888  1
  Ni  Ni247  1  0.732864  0.931449  0.601451  1
  Ni  Ni248  1  0.735579  0.612102  0.626638  1
  Ni  Ni249  1  0.736170  0.249187  0.576234  1
  Ni  Ni250  1  0.242931  0.931449  0.601451  1
  Ni  Ni251  1  0.240216  0.612102  0.626638  1
  Ni  Ni252  1  0.239624  0.249187  0.576234  1
  Ni  Ni253  1  0.987897  0.945076  0.642826  1
  Ni  Ni254  1  0.987897  0.581744  0.589246  1
  Ni  Ni255  1  0.987897  0.265827  0.615645  1
  Ni  Ni256  1  0.987897  0.756968  0.575566  1
  Ni  Ni257  1  0.987897  0.436400  0.601609  1
  Ni  Ni258  1  0.987897  0.118515  0.626458  1
  Ni  Ni259  1  0.487897  0.895685  0.683033  1
  Ni  Ni260  1  0.487897  0.583555  0.708661  1
  Ni  Ni261  1  0.487897  0.217434  0.659635  1
  Ni  Ni262  1  0.244652  0.814482  0.690581  1
  Ni  Ni263  1  0.234820  0.503600  0.715312  1
  Ni  Ni264  1  0.242473  0.135356  0.665840  1
  Ni  Ni265  1  0.731142  0.814482  0.690581  1
  Ni  Ni266  1  0.740974  0.503600  0.715312  1
  Ni  Ni267  1  0.733321  0.135356  0.665840  1
  Ni  Ni268  1  0.487897  0.785899  0.653963  1
  Ni  Ni269  1  0.487897  0.467525  0.681294  1
  Ni  Ni270  1  0.487897  0.145298  0.703971  1
  Ni  Ni271  1  0.487897  0.998566  0.715778  1
  Ni  Ni272  1  0.487897  0.646040  0.664387  1
  Ni  Ni273  1  0.487897  0.327998  0.691572  1
  Ni  Ni274  1  0.987897  0.058191  0.672076  1
  Ni  Ni275  1  0.987897  0.738802  0.695962  1
  Ni  Ni276  1  0.987897  0.375033  0.647559  1
  Ni  Ni277  1  0.745011  0.971285  0.679918  1
  Ni  Ni278  1  0.737582  0.660432  0.702099  1
  Ni  Ni279  1  0.739602  0.294152  0.653390  1
  Ni  Ni280  1  0.230783  0.971285  0.679918  1
  Ni  Ni281  1  0.238212  0.660432  0.702099  1
  Ni  Ni282  1  0.236192  0.294152  0.653390  1
  Ni  Ni283  1  0.987897  0.990098  0.716073  1
  Ni  Ni284  1  0.987897  0.627969  0.666278  1
  Ni  Ni285  1  0.987897  0.306420  0.692680  1
  Ni  Ni286  1  0.987897  0.801224  0.650936  1
  Ni  Ni287  1  0.987897  0.487781  0.679411  1
  Ni  Ni288  1  0.987897  0.166729  0.704028  1
