# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.56649207
_cell_length_b   8.40242662
_cell_length_c   49.11193415
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.40603459
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5336.36708237
_cell_formula_units_Z   28
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  0.837483  0.274346  0.331884  1
  Al  Al2  1  0.313289  0.652047  0.295360  1
  Al  Al3  1  0.822375  0.941239  0.317766  1
  Al  Al4  1  0.285238  0.313930  0.283480  1
  Al  Al5  1  0.786640  0.352149  0.279279  1
  Al  Al6  1  0.318354  0.980525  0.313871  1
  Al  Al7  1  0.572820  0.464175  0.314939  1
  Al  Al8  1  0.038081  0.834130  0.277598  1
  Al  Al9  1  0.559185  0.134815  0.299113  1
  Al  Al10  1  0.013157  0.492578  0.267172  1
  Al  Al11  1  0.588155  0.794372  0.329868  1
  Al  Al12  1  0.051446  0.162160  0.296408  1
  Al  Al13  1  0.906488  0.529691  0.398228  1
  Al  Al14  1  0.370947  0.901804  0.364553  1
  Al  Al15  1  0.890944  0.198441  0.383060  1
  Al  Al16  1  0.357097  0.571392  0.349003  1
  Al  Al17  1  0.854466  0.606910  0.346896  1
  Al  Al18  1  0.388132  0.232147  0.379507  1
  Al  Al19  1  0.638520  0.715218  0.381438  1
  Al  Al20  1  0.103390  0.088466  0.348593  1
  Al  Al21  1  0.623969  0.384559  0.366060  1
  Al  Al22  1  0.089710  0.754237  0.332943  1
  Al  Al23  1  0.654854  0.046148  0.396486  1
  Al  Al24  1  0.121271  0.419697  0.363099  1
  Al  Al25  1  0.975098  0.784620  0.464828  1
  Al  Al26  1  0.441372  0.157298  0.431232  1
  Al  Al27  1  0.959408  0.454101  0.449672  1
  Al  Al28  1  0.425572  0.826976  0.416071  1
  Al  Al29  1  0.922393  0.859748  0.413293  1
  Al  Al30  1  0.456780  0.487996  0.446475  1
  Al  Al31  1  0.708189  0.971010  0.448052  1
  Al  Al32  1  0.174339  0.343927  0.414696  1
  Al  Al33  1  0.692218  0.640240  0.432937  1
  Al  Al34  1  0.158458  0.013294  0.399763  1
  Al  Al35  1  0.723565  0.301659  0.463255  1
  Al  Al36  1  0.189737  0.673943  0.429851  1
  Al  Al37  1  0.043172  0.039937  0.531608  1
  Al  Al38  1  0.509660  0.412727  0.497937  1
  Al  Al39  1  0.027790  0.709228  0.516384  1
  Al  Al40  1  0.494096  0.082010  0.482783  1
  Al  Al41  1  0.990465  0.115398  0.480063  1
  Al  Al42  1  0.525236  0.743466  0.513093  1
  Al  Al43  1  0.776273  0.226284  0.514862  1
  Al  Al44  1  0.242377  0.598667  0.481354  1
  Al  Al45  1  0.760900  0.895626  0.499636  1
  Al  Al46  1  0.226821  0.268065  0.466192  1
  Al  Al47  1  0.791746  0.556832  0.530069  1
  Al  Al48  1  0.257868  0.929366  0.496538  1
  Al  Al49  1  0.111549  0.294563  0.597975  1
  Al  Al50  1  0.578099  0.668202  0.564706  1
  Al  Al51  1  0.095834  0.964622  0.583043  1
  Al  Al52  1  0.562536  0.337510  0.549464  1
  Al  Al53  1  0.058850  0.370458  0.546720  1
  Al  Al54  1  0.593814  0.998588  0.579924  1
  Al  Al55  1  0.843517  0.480350  0.581807  1
  Al  Al56  1  0.311167  0.854399  0.547928  1
  Al  Al57  1  0.828303  0.150537  0.566565  1
  Al  Al58  1  0.295546  0.523645  0.532788  1
  Al  Al59  1  0.859333  0.810805  0.596767  1
  Al  Al60  1  0.327257  0.185233  0.563002  1
  Al  Al61  1  0.180298  0.550838  0.663305  1
  Al  Al62  1  0.647956  0.924013  0.631933  1
  Al  Al63  1  0.164295  0.217732  0.648659  1
  Al  Al64  1  0.631596  0.593621  0.616778  1
  Al  Al65  1  0.127122  0.626083  0.612988  1
  Al  Al66  1  0.661783  0.253748  0.647868  1
  Al  Al67  1  0.913063  0.735560  0.648461  1
  Al  Al68  1  0.381516  0.111085  0.614394  1
  Al  Al69  1  0.896475  0.404548  0.633501  1
  Al  Al70  1  0.365196  0.779902  0.599269  1
  Al  Al71  1  0.928780  0.070039  0.664021  1
  Al  Al72  1  0.395621  0.440725  0.629752  1
  Al  Al73  1  0.276955  0.818648  0.733561  1
  Al  Al74  1  0.706786  0.175070  0.701042  1
  Al  Al75  1  0.232952  0.471285  0.716588  1
  Al  Al76  1  0.700588  0.843155  0.682678  1
  Al  Al77  1  0.197600  0.883104  0.678461  1
  Al  Al78  1  0.733044  0.516477  0.713471  1
  Al  Al79  1  1.000272  0.009728  0.717868  1
  Al  Al80  1  0.445933  0.362793  0.680405  1
  Al  Al81  1  0.969981  0.664670  0.700455  1
  Al  Al82  1  0.432116  0.031651  0.665666  1
  Al  Al83  1  0.007285  0.335754  0.728861  1
  Al  Al84  1  0.457834  0.687781  0.696642  1
  Ni  Ni85  1  0.532655  0.837582  0.282105  1
  Ni  Ni86  1  0.067298  0.455493  0.315243  1
  Ni  Ni87  1  0.399127  0.940068  0.273152  1
  Ni  Ni88  1  0.937247  0.555571  0.307065  1
  Ni  Ni89  1  0.440854  0.552518  0.306180  1
  Ni  Ni90  1  0.893266  0.926191  0.273883  1
  Ni  Ni91  1  0.444041  0.861967  0.323977  1
  Ni  Ni92  1  0.903006  0.219675  0.291015  1
  Ni  Ni93  1  0.701792  0.061632  0.304500  1
  Ni  Ni94  1  0.161669  0.435997  0.273005  1
  Ni  Ni95  1  0.803863  0.647061  0.298688  1
  Ni  Ni96  1  0.255281  0.020497  0.266472  1
  Ni  Ni97  1  0.673808  0.747427  0.288852  1
  Ni  Ni98  1  0.204435  0.368838  0.322914  1
  Ni  Ni99  1  0.705810  0.368449  0.323018  1
  Ni  Ni100  1  0.171490  0.735140  0.290021  1
  Ni  Ni101  1  0.641553  0.427732  0.273822  1
  Ni  Ni102  1  0.172061  0.039863  0.308559  1
  Ni  Ni103  1  0.434087  0.252267  0.287878  1
  Ni  Ni104  1  0.967342  0.874299  0.321443  1
  Ni  Ni105  1  0.607324  0.089284  0.347641  1
  Ni  Ni106  1  0.140918  0.715119  0.381304  1
  Ni  Ni107  1  0.473338  0.181955  0.339295  1
  Ni  Ni108  1  0.007598  0.808670  0.373167  1
  Ni  Ni109  1  0.505582  0.809671  0.372736  1
  Ni  Ni110  1  0.971039  0.179816  0.340015  1
  Ni  Ni111  1  0.512991  0.114293  0.390114  1
  Ni  Ni112  1  0.978299  0.486345  0.357438  1
  Ni  Ni113  1  0.766069  0.317391  0.372510  1
  Ni  Ni114  1  0.233524  0.687469  0.337810  1
  Ni  Ni115  1  0.874288  0.901610  0.364964  1
  Ni  Ni116  1  0.338584  0.274040  0.331333  1
  Ni  Ni117  1  0.739180  0.994625  0.356792  1
  Ni  Ni118  1  0.274060  0.622723  0.389485  1
  Ni  Ni119  1  0.772447  0.622339  0.389878  1
  Ni  Ni120  1  0.236864  0.994273  0.356556  1
  Ni  Ni121  1  0.711563  0.672421  0.340949  1
  Ni  Ni122  1  0.246332  0.301593  0.373630  1
  Ni  Ni123  1  0.499129  0.503633  0.355519  1
  Ni  Ni124  1  0.033192  0.131407  0.389355  1
  Ni  Ni125  1  0.673401  0.343012  0.414711  1
  Ni  Ni126  1  0.208089  0.971199  0.448082  1
  Ni  Ni127  1  0.540088  0.436001  0.406267  1
  Ni  Ni128  1  0.074216  0.064173  0.439861  1
  Ni  Ni129  1  0.574680  0.064097  0.439650  1
  Ni  Ni130  1  0.040276  0.436468  0.406462  1
  Ni  Ni131  1  0.581589  0.369867  0.457060  1
  Ni  Ni132  1  0.047643  0.742138  0.423826  1
  Ni  Ni133  1  0.834308  0.572007  0.439105  1
  Ni  Ni134  1  0.300455  0.944757  0.405646  1
  Ni  Ni135  1  0.940448  0.157015  0.431546  1
  Ni  Ni136  1  0.407327  0.530073  0.397845  1
  Ni  Ni137  1  0.806967  0.250089  0.423137  1
  Ni  Ni138  1  0.341798  0.878153  0.456313  1
  Ni  Ni139  1  0.841565  0.877717  0.456474  1
  Ni  Ni140  1  0.308118  0.250884  0.422923  1
  Ni  Ni141  1  0.780030  0.927788  0.407147  1
  Ni  Ni142  1  0.314863  0.556441  0.440349  1
  Ni  Ni143  1  0.567372  0.758511  0.422321  1
  Ni  Ni144  1  0.101561  0.385768  0.455716  1
  Ni  Ni145  1  0.742201  0.598705  0.481451  1
  Ni  Ni146  1  0.276769  0.226453  0.514657  1
  Ni  Ni147  1  0.608850  0.691979  0.473024  1
  Ni  Ni148  1  0.142893  0.319316  0.506459  1
  Ni  Ni149  1  0.643091  0.319654  0.506366  1
  Ni  Ni150  1  0.108675  0.691577  0.473123  1
  Ni  Ni151  1  0.649912  0.625250  0.523783  1
  Ni  Ni152  1  0.115629  0.997597  0.490560  1
  Ni  Ni153  1  0.902818  0.827202  0.505829  1
  Ni  Ni154  1  0.369017  0.199813  0.472227  1
  Ni  Ni155  1  0.009062  0.412207  0.498222  1
  Ni  Ni156  1  0.475328  0.785067  0.464643  1
  Ni  Ni157  1  0.875547  0.505419  0.489877  1
  Ni  Ni158  1  0.410579  0.133572  0.522887  1
  Ni  Ni159  1  0.909446  0.132866  0.523304  1
  Ni  Ni160  1  0.376093  0.505753  0.489619  1
  Ni  Ni161  1  0.848412  0.183661  0.473913  1
  Ni  Ni162  1  0.383127  0.811658  0.506999  1
  Ni  Ni163  1  0.636180  0.013835  0.488954  1
  Ni  Ni164  1  0.170043  0.641059  0.522371  1
  Ni  Ni165  1  0.810086  0.853384  0.548260  1
  Ni  Ni166  1  0.346506  0.482849  0.581118  1
  Ni  Ni167  1  0.677110  0.947050  0.539767  1
  Ni  Ni168  1  0.211988  0.575018  0.572941  1
  Ni  Ni169  1  0.710585  0.574151  0.573305  1
  Ni  Ni170  1  0.177124  0.947162  0.539782  1
  Ni  Ni171  1  0.717862  0.880040  0.590722  1
  Ni  Ni172  1  0.184627  0.253090  0.557087  1
  Ni  Ni173  1  0.970164  0.081885  0.572614  1
  Ni  Ni174  1  0.437844  0.455665  0.538829  1
  Ni  Ni175  1  0.077604  0.667470  0.564814  1
  Ni  Ni176  1  0.544112  0.040642  0.531256  1
  Ni  Ni177  1  0.943591  0.760065  0.556628  1
  Ni  Ni178  1  0.479965  0.390117  0.589652  1
  Ni  Ni179  1  0.977252  0.387563  0.589965  1
  Ni  Ni180  1  0.445155  0.761790  0.556191  1
  Ni  Ni181  1  0.916520  0.438710  0.540726  1
  Ni  Ni182  1  0.452337  0.067340  0.573561  1
  Ni  Ni183  1  0.704082  0.268865  0.555807  1
  Ni  Ni184  1  0.239089  0.897322  0.588835  1
  Ni  Ni185  1  0.876713  0.108768  0.615224  1
  Ni  Ni186  1  0.413565  0.735765  0.647741  1
  Ni  Ni187  1  0.743976  0.201830  0.607054  1
  Ni  Ni188  1  0.280766  0.831160  0.638840  1
  Ni  Ni189  1  0.781507  0.830455  0.640137  1
  Ni  Ni190  1  0.246991  0.202974  0.605945  1
  Ni  Ni191  1  0.785341  0.137016  0.658894  1
  Ni  Ni192  1  0.253516  0.508144  0.623090  1
  Ni  Ni193  1  0.038606  0.336756  0.638742  1
  Ni  Ni194  1  0.507232  0.711571  0.605747  1
  Ni  Ni195  1  0.144853  0.922593  0.631009  1
  Ni  Ni196  1  0.612247  0.295850  0.598262  1
  Ni  Ni197  1  0.009699  0.014388  0.623322  1
  Ni  Ni198  1  0.547019  0.644082  0.656660  1
  Ni  Ni199  1  0.046300  0.644141  0.656406  1
  Ni  Ni200  1  0.514890  0.016980  0.623152  1
  Ni  Ni201  1  0.984350  0.693035  0.607271  1
  Ni  Ni202  1  0.521178  0.322577  0.640464  1
  Ni  Ni203  1  0.772017  0.522768  0.623015  1
  Ni  Ni204  1  0.306902  0.151837  0.654862  1
  Ni  Ni205  1  0.949992  0.365987  0.681566  1
  Ni  Ni206  1  0.477105  0.975436  0.715067  1
  Ni  Ni207  1  0.815411  0.457480  0.674006  1
  Ni  Ni208  1  0.349058  0.086703  0.705597  1
  Ni  Ni209  1  0.845340  0.079883  0.708172  1
  Ni  Ni210  1  0.311116  0.454671  0.672621  1
  Ni  Ni211  1  0.857465  0.389506  0.723545  1
  Ni  Ni212  1  0.318250  0.760058  0.688973  1
  Ni  Ni213  1  0.118665  0.605609  0.704886  1
  Ni  Ni214  1  0.574015  0.962818  0.672814  1
  Ni  Ni215  1  0.213131  0.175856  0.697478  1
  Ni  Ni216  1  0.680852  0.550180  0.665595  1
  Ni  Ni217  1  0.084954  0.276222  0.688246  1
  Ni  Ni218  1  0.617753  0.883616  0.722645  1
  Ni  Ni219  1  0.131637  0.897256  0.723163  1
  Ni  Ni220  1  0.574462  0.267377  0.691046  1
  Ni  Ni221  1  0.053150  0.950024  0.674103  1
  Ni  Ni222  1  0.581430  0.570096  0.708068  1
  Ni  Ni223  1  0.848762  0.789990  0.689952  1
  Ni  Ni224  1  0.377037  0.396787  0.722073  1
