# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.50434628
_cell_length_b   16.90160381
_cell_length_c   47.75017718
_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   6056.41700939
_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  0.502245  0.247813  0.291281  1
  Al  Al2  1  0.502245  0.667774  0.262662  1
  Al  Al3  1  0.774229  0.325732  0.323353  1
  Al  Al4  1  0.772209  0.749843  0.294333  1
  Al  Al5  1  0.230261  0.325732  0.323353  1
  Al  Al6  1  0.232281  0.749843  0.294333  1
  Al  Al7  1  0.002245  0.965789  0.276039  1
  Al  Al8  1  0.002245  0.537844  0.305456  1
  Al  Al9  1  0.271538  0.036768  0.308022  1
  Al  Al10  1  0.286316  0.465781  0.277793  1
  Al  Al11  1  0.732952  0.036768  0.308022  1
  Al  Al12  1  0.718174  0.465781  0.277793  1
  Al  Al13  1  0.502245  0.400306  0.352004  1
  Al  Al14  1  0.502245  0.826076  0.322904  1
  Al  Al15  1  0.775824  0.474454  0.381087  1
  Al  Al16  1  0.774980  0.899818  0.351988  1
  Al  Al17  1  0.228666  0.474454  0.381087  1
  Al  Al18  1  0.229510  0.899818  0.351988  1
  Al  Al19  1  0.002245  0.113013  0.336759  1
  Al  Al20  1  0.002245  0.687019  0.367479  1
  Al  Al21  1  0.275478  0.187195  0.366185  1
  Al  Al22  1  0.275304  0.612593  0.338272  1
  Al  Al23  1  0.729012  0.187195  0.366185  1
  Al  Al24  1  0.729186  0.612593  0.338272  1
  Al  Al25  1  0.502245  0.549084  0.411078  1
  Al  Al26  1  0.502245  0.974725  0.381426  1
  Al  Al27  1  0.774776  0.623861  0.440608  1
  Al  Al28  1  0.774850  0.049483  0.410659  1
  Al  Al29  1  0.229714  0.623861  0.440608  1
  Al  Al30  1  0.229640  0.049483  0.410659  1
  Al  Al31  1  0.002245  0.261658  0.396150  1
  Al  Al32  1  0.002245  0.836686  0.425809  1
  Al  Al33  1  0.274850  0.336767  0.425476  1
  Al  Al34  1  0.274807  0.761846  0.396537  1
  Al  Al35  1  0.729640  0.336767  0.425476  1
  Al  Al36  1  0.729683  0.761846  0.396537  1
  Al  Al37  1  0.502245  0.698464  0.470043  1
  Al  Al38  1  0.502245  0.123993  0.440063  1
  Al  Al39  1  0.774534  0.773093  0.499352  1
  Al  Al40  1  0.774521  0.198584  0.469464  1
  Al  Al41  1  0.229956  0.773093  0.499352  1
  Al  Al42  1  0.229969  0.198584  0.469464  1
  Al  Al43  1  0.002245  0.411268  0.454849  1
  Al  Al44  1  0.002245  0.985861  0.484444  1
  Al  Al45  1  0.274631  0.485804  0.484357  1
  Al  Al46  1  0.274522  0.911331  0.455072  1
  Al  Al47  1  0.729859  0.485804  0.484357  1
  Al  Al48  1  0.729968  0.911331  0.455072  1
  Al  Al49  1  0.502245  0.847812  0.528709  1
  Al  Al50  1  0.502245  0.273120  0.498940  1
  Al  Al51  1  0.774586  0.922345  0.558134  1
  Al  Al52  1  0.774570  0.347786  0.528363  1
  Al  Al53  1  0.229904  0.922345  0.558134  1
  Al  Al54  1  0.229920  0.347786  0.528363  1
  Al  Al55  1  0.002245  0.560360  0.514006  1
  Al  Al56  1  0.002245  0.135088  0.543142  1
  Al  Al57  1  0.274577  0.634982  0.543535  1
  Al  Al58  1  0.274479  0.060474  0.513792  1
  Al  Al59  1  0.729913  0.634982  0.543535  1
  Al  Al60  1  0.730011  0.060474  0.513792  1
  Al  Al61  1  0.502245  0.996928  0.587422  1
  Al  Al62  1  0.502245  0.422439  0.557815  1
  Al  Al63  1  0.775573  0.071436  0.616953  1
  Al  Al64  1  0.774546  0.497011  0.587448  1
  Al  Al65  1  0.228917  0.071436  0.616953  1
  Al  Al66  1  0.229944  0.497011  0.587448  1
  Al  Al67  1  0.002245  0.709701  0.572813  1
  Al  Al68  1  0.002245  0.284320  0.601787  1
  Al  Al69  1  0.274762  0.784225  0.602190  1
  Al  Al70  1  0.274664  0.209598  0.572511  1
  Al  Al71  1  0.729728  0.784225  0.602190  1
  Al  Al72  1  0.729826  0.209598  0.572511  1
  Al  Al73  1  0.502245  0.146286  0.645960  1
  Al  Al74  1  0.502245  0.571880  0.616978  1
  Al  Al75  1  0.775303  0.221477  0.675092  1
  Al  Al76  1  0.775704  0.646405  0.646675  1
  Al  Al77  1  0.229187  0.221477  0.675092  1
  Al  Al78  1  0.228786  0.646405  0.646675  1
  Al  Al79  1  0.002245  0.859069  0.631572  1
  Al  Al80  1  0.002245  0.434617  0.659607  1
  Al  Al81  1  0.275730  0.933755  0.661020  1
  Al  Al82  1  0.275712  0.359012  0.631228  1
  Al  Al83  1  0.728760  0.933755  0.661020  1
  Al  Al84  1  0.728778  0.359012  0.631228  1
  Al  Al85  1  0.502245  0.297805  0.705854  1
  Al  Al86  1  0.502245  0.721058  0.675325  1
  Al  Al87  1  0.785378  0.371570  0.733850  1
  Al  Al88  1  0.774246  0.796212  0.704370  1
  Al  Al89  1  0.219112  0.371570  0.733850  1
  Al  Al90  1  0.230244  0.796212  0.704370  1
  Al  Al91  1  0.002245  0.010777  0.691894  1
  Al  Al92  1  0.002245  0.580726  0.723203  1
  Al  Al93  1  0.284818  0.081337  0.719913  1
  Al  Al94  1  0.274717  0.508864  0.690681  1
  Al  Al95  1  0.719672  0.081337  0.719913  1
  Al  Al96  1  0.729773  0.508864  0.690681  1
  Ni  Ni97  1  0.502245  0.964128  0.279249  1
  Ni  Ni98  1  0.502245  0.538044  0.308786  1
  Ni  Ni99  1  0.249634  0.893280  0.300155  1
  Ni  Ni100  1  0.250694  0.321148  0.272379  1
  Ni  Ni101  1  0.754856  0.893280  0.300155  1
  Ni  Ni102  1  0.753796  0.321148  0.272379  1
  Ni  Ni103  1  0.502245  0.814761  0.273146  1
  Ni  Ni104  1  0.502245  0.386645  0.302937  1
  Ni  Ni105  1  0.502245  0.110828  0.284147  1
  Ni  Ni106  1  0.502245  0.687335  0.313646  1
  Ni  Ni107  1  0.002245  0.252261  0.294536  1
  Ni  Ni108  1  0.002245  0.677125  0.266019  1
  Ni  Ni109  1  0.750520  0.181724  0.314170  1
  Ni  Ni110  1  0.750627  0.607847  0.287465  1
  Ni  Ni111  1  0.253970  0.181724  0.314170  1
  Ni  Ni112  1  0.253863  0.607847  0.287465  1
  Ni  Ni113  1  0.002245  0.107445  0.286823  1
  Ni  Ni114  1  0.002245  0.674495  0.318440  1
  Ni  Ni115  1  0.002245  0.824807  0.270497  1
  Ni  Ni116  1  0.002245  0.399791  0.297556  1
  Ni  Ni117  1  0.502245  0.112522  0.337067  1
  Ni  Ni118  1  0.502245  0.687002  0.367287  1
  Ni  Ni119  1  0.251679  0.043488  0.359138  1
  Ni  Ni120  1  0.249899  0.469591  0.329476  1
  Ni  Ni121  1  0.752811  0.043488  0.359138  1
  Ni  Ni122  1  0.754591  0.469591  0.329476  1
  Ni  Ni123  1  0.502245  0.963231  0.332098  1
  Ni  Ni124  1  0.502245  0.537241  0.361629  1
  Ni  Ni125  1  0.502245  0.262143  0.341947  1
  Ni  Ni126  1  0.502245  0.836766  0.372449  1
  Ni  Ni127  1  0.002245  0.399741  0.351688  1
  Ni  Ni128  1  0.002245  0.824069  0.323375  1
  Ni  Ni129  1  0.752315  0.330591  0.374194  1
  Ni  Ni130  1  0.751417  0.755989  0.345255  1
  Ni  Ni131  1  0.252175  0.330591  0.374194  1
  Ni  Ni132  1  0.253073  0.755989  0.345255  1
  Ni  Ni133  1  0.002245  0.250122  0.346842  1
  Ni  Ni134  1  0.002245  0.825173  0.376279  1
  Ni  Ni135  1  0.002245  0.973768  0.327488  1
  Ni  Ni136  1  0.002245  0.549392  0.356641  1
  Ni  Ni137  1  0.502245  0.261962  0.395797  1
  Ni  Ni138  1  0.502245  0.836684  0.425756  1
  Ni  Ni139  1  0.252673  0.193135  0.417862  1
  Ni  Ni140  1  0.252288  0.617870  0.389286  1
  Ni  Ni141  1  0.751817  0.193135  0.417862  1
  Ni  Ni142  1  0.752202  0.617870  0.389286  1
  Ni  Ni143  1  0.502245  0.112546  0.390392  1
  Ni  Ni144  1  0.502245  0.686994  0.420494  1
  Ni  Ni145  1  0.502245  0.411581  0.401472  1
  Ni  Ni146  1  0.502245  0.986081  0.431044  1
  Ni  Ni147  1  0.002245  0.549209  0.410725  1
  Ni  Ni148  1  0.002245  0.974622  0.381273  1
  Ni  Ni149  1  0.752640  0.480444  0.432758  1
  Ni  Ni150  1  0.752379  0.905720  0.403551  1
  Ni  Ni151  1  0.251850  0.480444  0.432758  1
  Ni  Ni152  1  0.252111  0.905720  0.403551  1
  Ni  Ni153  1  0.002245  0.399669  0.405228  1
  Ni  Ni154  1  0.002245  0.974739  0.434728  1
  Ni  Ni155  1  0.002245  0.124182  0.386459  1
  Ni  Ni156  1  0.002245  0.698666  0.416814  1
  Ni  Ni157  1  0.502245  0.411494  0.454812  1
  Ni  Ni158  1  0.502245  0.985923  0.484414  1
  Ni  Ni159  1  0.252368  0.342225  0.476908  1
  Ni  Ni160  1  0.252313  0.767558  0.447943  1
  Ni  Ni161  1  0.752122  0.342225  0.476908  1
  Ni  Ni162  1  0.752177  0.767558  0.447943  1
  Ni  Ni163  1  0.502245  0.261865  0.449277  1
  Ni  Ni164  1  0.502245  0.836527  0.479073  1
  Ni  Ni165  1  0.502245  0.560721  0.460628  1
  Ni  Ni166  1  0.502245  0.135219  0.489765  1
  Ni  Ni167  1  0.002245  0.698400  0.470019  1
  Ni  Ni168  1  0.002245  0.124268  0.439956  1
  Ni  Ni169  1  0.752249  0.629324  0.492054  1
  Ni  Ni170  1  0.752421  0.055000  0.462223  1
  Ni  Ni171  1  0.252241  0.629324  0.492054  1
  Ni  Ni172  1  0.252069  0.055000  0.462223  1
  Ni  Ni173  1  0.002245  0.548947  0.464304  1
  Ni  Ni174  1  0.002245  0.123853  0.493439  1
  Ni  Ni175  1  0.002245  0.273444  0.445645  1
  Ni  Ni176  1  0.002245  0.847902  0.475409  1
  Ni  Ni177  1  0.502245  0.560354  0.513980  1
  Ni  Ni178  1  0.502245  0.134993  0.543166  1
  Ni  Ni179  1  0.252274  0.491436  0.535896  1
  Ni  Ni180  1  0.252240  0.916796  0.506601  1
  Ni  Ni181  1  0.752216  0.491436  0.535896  1
  Ni  Ni182  1  0.752250  0.916796  0.506601  1
  Ni  Ni183  1  0.502245  0.411009  0.508208  1
  Ni  Ni184  1  0.502245  0.985722  0.537788  1
  Ni  Ni185  1  0.502245  0.709780  0.519616  1
  Ni  Ni186  1  0.502245  0.284466  0.548591  1
  Ni  Ni187  1  0.002245  0.847711  0.528722  1
  Ni  Ni188  1  0.002245  0.273198  0.498934  1
  Ni  Ni189  1  0.752051  0.778696  0.550776  1
  Ni  Ni190  1  0.752216  0.204137  0.520998  1
  Ni  Ni191  1  0.252439  0.778696  0.550776  1
  Ni  Ni192  1  0.252274  0.204137  0.520998  1
  Ni  Ni193  1  0.002245  0.698248  0.523266  1
  Ni  Ni194  1  0.002245  0.272976  0.552239  1
  Ni  Ni195  1  0.002245  0.422641  0.504479  1
  Ni  Ni196  1  0.002245  0.997086  0.534165  1
  Ni  Ni197  1  0.502245  0.709361  0.572949  1
  Ni  Ni198  1  0.502245  0.284213  0.602005  1
  Ni  Ni199  1  0.251517  0.640380  0.595092  1
  Ni  Ni200  1  0.251923  0.065928  0.565364  1
  Ni  Ni201  1  0.752973  0.640380  0.595092  1
  Ni  Ni202  1  0.752567  0.065928  0.565364  1
  Ni  Ni203  1  0.502245  0.560115  0.567357  1
  Ni  Ni204  1  0.502245  0.134726  0.596497  1
  Ni  Ni205  1  0.502245  0.859009  0.578384  1
  Ni  Ni206  1  0.502245  0.434129  0.607420  1
  Ni  Ni207  1  0.002245  0.996723  0.587719  1
  Ni  Ni208  1  0.002245  0.422435  0.557776  1
  Ni  Ni209  1  0.751972  0.927784  0.609690  1
  Ni  Ni210  1  0.751947  0.353361  0.579797  1
  Ni  Ni211  1  0.252518  0.927784  0.609690  1
  Ni  Ni212  1  0.252543  0.353361  0.579797  1
  Ni  Ni213  1  0.002245  0.847544  0.582019  1
  Ni  Ni214  1  0.002245  0.421995  0.610828  1
  Ni  Ni215  1  0.002245  0.571732  0.563725  1
  Ni  Ni216  1  0.002245  0.146335  0.592846  1
  Ni  Ni217  1  0.502245  0.859001  0.631945  1
  Ni  Ni218  1  0.502245  0.434214  0.660830  1
  Ni  Ni219  1  0.252696  0.790476  0.653377  1
  Ni  Ni220  1  0.252001  0.215277  0.623930  1
  Ni  Ni221  1  0.751794  0.790476  0.653377  1
  Ni  Ni222  1  0.752489  0.215277  0.623930  1
  Ni  Ni223  1  0.502245  0.709482  0.626134  1
  Ni  Ni224  1  0.502245  0.284297  0.655715  1
  Ni  Ni225  1  0.502245  0.008749  0.636868  1
  Ni  Ni226  1  0.502245  0.583567  0.666444  1
  Ni  Ni227  1  0.002245  0.146577  0.646453  1
  Ni  Ni228  1  0.002245  0.570972  0.617438  1
  Ni  Ni229  1  0.753585  0.077871  0.668281  1
  Ni  Ni230  1  0.751088  0.503033  0.639057  1
  Ni  Ni231  1  0.250905  0.077871  0.668281  1
  Ni  Ni232  1  0.253402  0.503033  0.639057  1
  Ni  Ni233  1  0.002245  0.996761  0.641592  1
  Ni  Ni234  1  0.002245  0.571859  0.671506  1
  Ni  Ni235  1  0.002245  0.721052  0.622324  1
  Ni  Ni236  1  0.002245  0.296447  0.651153  1
  Ni  Ni237  1  0.502245  0.008803  0.689566  1
  Ni  Ni238  1  0.502245  0.581399  0.719706  1
  Ni  Ni239  1  0.252691  0.936364  0.712627  1
  Ni  Ni240  1  0.253331  0.365655  0.682340  1
  Ni  Ni241  1  0.751799  0.936364  0.712627  1
  Ni  Ni242  1  0.751159  0.365655  0.682340  1
  Ni  Ni243  1  0.502245  0.859221  0.686430  1
  Ni  Ni244  1  0.502245  0.434042  0.714684  1
  Ni  Ni245  1  0.502245  0.160060  0.695085  1
  Ni  Ni246  1  0.502245  0.731042  0.724722  1
  Ni  Ni247  1  0.002245  0.295784  0.703701  1
  Ni  Ni248  1  0.002245  0.722119  0.675163  1
  Ni  Ni249  1  0.752523  0.224786  0.726613  1
  Ni  Ni250  1  0.754190  0.652277  0.698335  1
  Ni  Ni251  1  0.251967  0.224786  0.726613  1
  Ni  Ni252  1  0.250300  0.652277  0.698335  1
  Ni  Ni253  1  0.002245  0.148043  0.700780  1
  Ni  Ni254  1  0.002245  0.721249  0.727649  1
  Ni  Ni255  1  0.002245  0.872281  0.681015  1
  Ni  Ni256  1  0.002245  0.445639  0.708065  1
