# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.32235057
_cell_length_b   18.85265234
_cell_length_c   57.00201244
_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   'Al84 Ni140'
_cell_volume   5719.6061501
_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  1.089525  0.861508  0.222672  1
  Al  Al2  1  1.089525  0.415710  0.255642  1
  Al  Al3  1  1.089525  0.005159  0.232002  1
  Al  Al4  1  1.089525  0.559657  0.262735  1
  Al  Al5  1  1.089525  0.715727  0.216557  1
  Al  Al6  1  1.089525  0.273624  0.248553  1
  Al  Al7  1  0.589525  0.582326  0.208164  1
  Al  Al8  1  0.589525  0.140551  0.240753  1
  Al  Al9  1  0.589525  0.729757  0.215799  1
  Al  Al10  1  0.589525  0.283500  0.248497  1
  Al  Al11  1  0.589525  0.994595  0.230790  1
  Al  Al12  1  0.589525  0.549749  0.263146  1
  Al  Al13  1  1.089525  0.972061  0.286361  1
  Al  Al14  1  1.089525  0.527819  0.318050  1
  Al  Al15  1  1.089525  0.114869  0.294064  1
  Al  Al16  1  1.089525  0.670688  0.325521  1
  Al  Al17  1  1.089525  0.828578  0.278957  1
  Al  Al18  1  1.089525  0.384365  0.310858  1
  Al  Al19  1  0.589525  0.694954  0.270938  1
  Al  Al20  1  0.589525  0.249946  0.302842  1
  Al  Al21  1  0.589525  0.838077  0.278750  1
  Al  Al22  1  0.589525  0.393932  0.310253  1
  Al  Al23  1  0.589525  0.105382  0.294617  1
  Al  Al24  1  0.589525  0.661080  0.325859  1
  Al  Al25  1  1.089525  0.082058  0.349288  1
  Al  Al26  1  1.089525  0.637722  0.380838  1
  Al  Al27  1  1.089525  0.225740  0.356826  1
  Al  Al28  1  1.089525  0.780986  0.388351  1
  Al  Al29  1  1.089525  0.938530  0.341744  1
  Al  Al30  1  1.089525  0.494326  0.373312  1
  Al  Al31  1  0.589525  0.804693  0.333592  1
  Al  Al32  1  0.589525  0.360329  0.365208  1
  Al  Al33  1  0.589525  0.948109  0.341266  1
  Al  Al34  1  0.589525  0.503913  0.372888  1
  Al  Al35  1  0.589525  0.216150  0.357332  1
  Al  Al36  1  0.589525  0.771356  0.388791  1
  Al  Al37  1  1.089525  0.192463  0.411932  1
  Al  Al38  1  1.089525  0.747913  0.443570  1
  Al  Al39  1  1.089525  0.336007  0.419599  1
  Al  Al40  1  1.089525  0.891407  0.451082  1
  Al  Al41  1  1.089525  0.048868  0.404373  1
  Al  Al42  1  1.089525  0.604338  0.436013  1
  Al  Al43  1  0.589525  0.914915  0.396390  1
  Al  Al44  1  0.589525  0.470382  0.427914  1
  Al  Al45  1  0.589525  0.058468  0.403919  1
  Al  Al46  1  0.589525  0.613944  0.435557  1
  Al  Al47  1  0.589525  0.326437  0.420046  1
  Al  Al48  1  0.589525  0.881798  0.451519  1
  Al  Al49  1  1.089525  0.302436  0.474607  1
  Al  Al50  1  1.089525  0.858284  0.506278  1
  Al  Al51  1  1.089525  0.446047  0.482225  1
  Al  Al52  1  1.089525  0.001505  0.513845  1
  Al  Al53  1  1.089525  0.158951  0.467069  1
  Al  Al54  1  1.089525  0.714744  0.498660  1
  Al  Al55  1  0.589525  0.025352  0.459133  1
  Al  Al56  1  0.589525  0.580799  0.490691  1
  Al  Al57  1  0.589525  0.168582  0.466639  1
  Al  Al58  1  0.589525  0.724370  0.498227  1
  Al  Al59  1  0.589525  0.436514  0.482717  1
  Al  Al60  1  0.589525  0.991904  0.514272  1
  Al  Al61  1  1.089525  0.412374  0.537159  1
  Al  Al62  1  1.089525  0.968319  0.569002  1
  Al  Al63  1  1.089525  0.556277  0.544463  1
  Al  Al64  1  1.089525  0.111673  0.576336  1
  Al  Al65  1  1.089525  0.269025  0.529785  1
  Al  Al66  1  1.089525  0.824596  0.561512  1
  Al  Al67  1  0.589525  0.135669  0.522024  1
  Al  Al68  1  0.589525  0.691675  0.553522  1
  Al  Al69  1  0.589525  0.278700  0.529339  1
  Al  Al70  1  0.589525  0.834496  0.561025  1
  Al  Al71  1  0.589525  0.546867  0.544977  1
  Al  Al72  1  0.589525  0.102021  0.576771  1
  Al  Al73  1  1.089525  0.523348  0.599528  1
  Al  Al74  1  1.089525  0.078935  0.632424  1
  Al  Al75  1  1.089525  0.665122  0.606167  1
  Al  Al76  1  1.089525  0.223990  0.638111  1
  Al  Al77  1  1.089525  0.380873  0.591704  1
  Al  Al78  1  1.089525  0.931317  0.624460  1
  Al  Al79  1  0.589525  0.246758  0.584893  1
  Al  Al80  1  0.589525  0.804274  0.617264  1
  Al  Al81  1  0.589525  0.390846  0.591511  1
  Al  Al82  1  0.589525  0.947606  0.624285  1
  Al  Al83  1  0.589525  0.655461  0.606492  1
  Al  Al84  1  0.589525  0.212734  0.638991  1
  Ni  Ni85  1  0.589525  0.864168  0.222492  1
  Ni  Ni86  1  0.589525  0.416286  0.255813  1
  Ni  Ni87  1  0.340380  0.778978  0.247527  1
  Ni  Ni88  1  0.342494  0.224786  0.216094  1
  Ni  Ni89  1  0.341261  0.055280  0.262812  1
  Ni  Ni90  1  0.336811  0.497964  0.231388  1
  Ni  Ni91  1  0.333289  0.916246  0.255204  1
  Ni  Ni92  1  0.336479  0.361941  0.223294  1
  Ni  Ni93  1  0.845762  0.916246  0.255204  1
  Ni  Ni94  1  0.842572  0.361941  0.223294  1
  Ni  Ni95  1  1.089525  0.585405  0.208439  1
  Ni  Ni96  1  1.089525  0.142050  0.240757  1
  Ni  Ni97  1  0.837789  0.055280  0.262812  1
  Ni  Ni98  1  0.842240  0.497964  0.231388  1
  Ni  Ni99  1  0.838671  0.778978  0.247527  1
  Ni  Ni100  1  0.836557  0.224786  0.216094  1
  Ni  Ni101  1  0.829808  0.638688  0.240183  1
  Ni  Ni102  1  0.837090  0.088839  0.208911  1
  Ni  Ni103  1  0.349243  0.638688  0.240183  1
  Ni  Ni104  1  0.341961  0.088839  0.208911  1
  Ni  Ni105  1  0.589525  0.971785  0.286514  1
  Ni  Ni106  1  0.589525  0.527783  0.318024  1
  Ni  Ni107  1  0.338993  0.888449  0.310120  1
  Ni  Ni108  1  0.338875  0.333558  0.279603  1
  Ni  Ni109  1  0.339560  0.165459  0.325731  1
  Ni  Ni110  1  0.339372  0.610894  0.294116  1
  Ni  Ni111  1  0.332123  0.026771  0.317924  1
  Ni  Ni112  1  0.331885  0.472174  0.286828  1
  Ni  Ni113  1  0.846928  0.026771  0.317924  1
  Ni  Ni114  1  0.847166  0.472174  0.286828  1
  Ni  Ni115  1  1.089525  0.694971  0.270689  1
  Ni  Ni116  1  1.089525  0.249881  0.302898  1
  Ni  Ni117  1  0.839491  0.165459  0.325731  1
  Ni  Ni118  1  0.839679  0.610894  0.294116  1
  Ni  Ni119  1  0.840058  0.888449  0.310120  1
  Ni  Ni120  1  0.840176  0.333558  0.279603  1
  Ni  Ni121  1  0.832872  0.749586  0.302246  1
  Ni  Ni122  1  0.831961  0.195022  0.271835  1
  Ni  Ni123  1  0.346179  0.749586  0.302246  1
  Ni  Ni124  1  0.347090  0.195022  0.271835  1
  Ni  Ni125  1  0.589525  0.082005  0.349280  1
  Ni  Ni126  1  0.589525  0.637700  0.380865  1
  Ni  Ni127  1  0.339553  0.998472  0.372831  1
  Ni  Ni128  1  0.339726  0.444297  0.341761  1
  Ni  Ni129  1  0.339448  0.276190  0.388426  1
  Ni  Ni130  1  0.339700  0.721048  0.357138  1
  Ni  Ni131  1  0.332310  0.137296  0.380602  1
  Ni  Ni132  1  0.332519  0.582668  0.349480  1
  Ni  Ni133  1  0.846741  0.137296  0.380602  1
  Ni  Ni134  1  0.846532  0.582668  0.349480  1
  Ni  Ni135  1  1.089525  0.804680  0.333645  1
  Ni  Ni136  1  1.089525  0.360382  0.365186  1
  Ni  Ni137  1  0.839603  0.276190  0.388426  1
  Ni  Ni138  1  0.839351  0.721048  0.357138  1
  Ni  Ni139  1  0.839498  0.998472  0.372831  1
  Ni  Ni140  1  0.839325  0.444297  0.341761  1
  Ni  Ni141  1  0.832243  0.859706  0.365022  1
  Ni  Ni142  1  0.832084  0.305247  0.333954  1
  Ni  Ni143  1  0.346808  0.859706  0.365022  1
  Ni  Ni144  1  0.346967  0.305247  0.333954  1
  Ni  Ni145  1  0.589525  0.192457  0.411922  1
  Ni  Ni146  1  0.589525  0.747909  0.443573  1
  Ni  Ni147  1  0.339556  0.108800  0.435472  1
  Ni  Ni148  1  0.339445  0.554115  0.404437  1
  Ni  Ni149  1  0.339603  0.386260  0.451162  1
  Ni  Ni150  1  0.339526  0.831372  0.419947  1
  Ni  Ni151  1  0.332363  0.247410  0.443286  1
  Ni  Ni152  1  0.332318  0.692752  0.412230  1
  Ni  Ni153  1  0.846688  0.247410  0.443286  1
  Ni  Ni154  1  0.846733  0.692752  0.412230  1
  Ni  Ni155  1  1.089525  0.914917  0.396383  1
  Ni  Ni156  1  1.089525  0.470387  0.427933  1
  Ni  Ni157  1  0.839448  0.386260  0.451162  1
  Ni  Ni158  1  0.839525  0.831372  0.419947  1
  Ni  Ni159  1  0.839495  0.108800  0.435472  1
  Ni  Ni160  1  0.839606  0.554115  0.404437  1
  Ni  Ni161  1  0.832353  0.970155  0.427745  1
  Ni  Ni162  1  0.832372  0.415304  0.396558  1
  Ni  Ni163  1  0.346698  0.970155  0.427745  1
  Ni  Ni164  1  0.346679  0.415304  0.396558  1
  Ni  Ni165  1  0.589525  0.302417  0.474609  1
  Ni  Ni166  1  0.589525  0.858267  0.506283  1
  Ni  Ni167  1  0.339492  0.218819  0.498197  1
  Ni  Ni168  1  0.339511  0.664302  0.467119  1
  Ni  Ni169  1  0.339588  0.496234  0.513694  1
  Ni  Ni170  1  0.339538  0.941746  0.482660  1
  Ni  Ni171  1  0.332332  0.357365  0.505907  1
  Ni  Ni172  1  0.332345  0.803127  0.474909  1
  Ni  Ni173  1  0.846719  0.357365  0.505907  1
  Ni  Ni174  1  0.846706  0.803127  0.474909  1
  Ni  Ni175  1  1.089525  0.025361  0.459132  1
  Ni  Ni176  1  1.089525  0.580802  0.490720  1
  Ni  Ni177  1  0.839463  0.496234  0.513694  1
  Ni  Ni178  1  0.839513  0.941746  0.482660  1
  Ni  Ni179  1  0.839559  0.218819  0.498197  1
  Ni  Ni180  1  0.839540  0.664302  0.467119  1
  Ni  Ni181  1  0.832389  0.080430  0.490589  1
  Ni  Ni182  1  0.832295  0.525513  0.459324  1
  Ni  Ni183  1  0.346662  0.080430  0.490589  1
  Ni  Ni184  1  0.346756  0.525513  0.459324  1
  Ni  Ni185  1  0.589525  0.412436  0.537169  1
  Ni  Ni186  1  0.589525  0.968563  0.569136  1
  Ni  Ni187  1  0.339716  0.329071  0.560852  1
  Ni  Ni188  1  0.339347  0.774713  0.529817  1
  Ni  Ni189  1  0.339845  0.605863  0.575714  1
  Ni  Ni190  1  0.339576  0.051722  0.545363  1
  Ni  Ni191  1  0.331983  0.468352  0.568099  1
  Ni  Ni192  1  0.332441  0.913185  0.537724  1
  Ni  Ni193  1  0.847068  0.468352  0.568099  1
  Ni  Ni194  1  0.846610  0.913185  0.537724  1
  Ni  Ni195  1  1.089525  0.135680  0.522041  1
  Ni  Ni196  1  1.089525  0.691688  0.553669  1
  Ni  Ni197  1  0.839206  0.605863  0.575714  1
  Ni  Ni198  1  0.839475  0.051722  0.545363  1
  Ni  Ni199  1  0.839335  0.329071  0.560852  1
  Ni  Ni200  1  0.839704  0.774713  0.529817  1
  Ni  Ni201  1  0.832464  0.191040  0.553542  1
  Ni  Ni202  1  0.832348  0.636335  0.522111  1
  Ni  Ni203  1  0.346587  0.191040  0.553542  1
  Ni  Ni204  1  0.346703  0.636335  0.522111  1
  Ni  Ni205  1  0.589525  0.521942  0.599641  1
  Ni  Ni206  1  0.589525  0.078322  0.632523  1
  Ni  Ni207  1  0.336737  0.439405  0.624412  1
  Ni  Ni208  1  0.339841  0.884988  0.592386  1
  Ni  Ni209  1  0.342832  0.711951  0.638435  1
  Ni  Ni210  1  0.340302  0.161585  0.607442  1
  Ni  Ni211  1  0.336101  0.577220  0.631634  1
  Ni  Ni212  1  0.330670  0.023810  0.600233  1
  Ni  Ni213  1  0.842950  0.577220  0.631634  1
  Ni  Ni214  1  0.848381  0.023810  0.600233  1
  Ni  Ni215  1  1.089525  0.246696  0.585092  1
  Ni  Ni216  1  1.089525  0.800203  0.616726  1
  Ni  Ni217  1  0.836219  0.711951  0.638435  1
  Ni  Ni218  1  0.838749  0.161585  0.607442  1
  Ni  Ni219  1  0.842314  0.439405  0.624412  1
  Ni  Ni220  1  0.839210  0.884988  0.592386  1
  Ni  Ni221  1  0.830925  0.304745  0.616125  1
  Ni  Ni222  1  0.830471  0.747058  0.585192  1
  Ni  Ni223  1  0.348126  0.304745  0.616125  1
  Ni  Ni224  1  0.348580  0.747058  0.585192  1
