# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96841705
_cell_length_b   22.13809538
_cell_length_c   47.15662092
_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   7274.73313066
_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  0.504505  0.272432  0.288102  1
  Al  Al2  1  0.504505  0.590796  0.266770  1
  Al  Al3  1  0.504505  0.950541  0.321095  1
  Al  Al4  1  0.504505  0.372048  0.327563  1
  Al  Al5  1  0.504505  0.697618  0.297441  1
  Al  Al6  1  0.504505  0.020066  0.273253  1
  Al  Al7  1  0.504505  0.202751  0.340303  1
  Al  Al8  1  0.504505  0.524904  0.315865  1
  Al  Al9  1  0.504505  0.851787  0.285682  1
  Al  Al10  1  0.004505  0.115792  0.306705  1
  Al  Al11  1  0.004505  0.432157  0.276753  1
  Al  Al12  1  0.004505  0.787585  0.333334  1
  Al  Al13  1  0.004505  0.211736  0.339894  1
  Al  Al14  1  0.004505  0.532360  0.315504  1
  Al  Al15  1  0.004505  0.858676  0.285051  1
  Al  Al16  1  0.004505  0.363469  0.328150  1
  Al  Al17  1  0.004505  0.689745  0.297829  1
  Al  Al18  1  0.004505  0.015750  0.273697  1
  Al  Al19  1  0.504505  0.300669  0.372161  1
  Al  Al20  1  0.504505  0.625622  0.345602  1
  Al  Al21  1  0.504505  0.976436  0.397234  1
  Al  Al22  1  0.504505  0.400024  0.403807  1
  Al  Al23  1  0.504505  0.724362  0.376974  1
  Al  Al24  1  0.504505  0.048972  0.352533  1
  Al  Al25  1  0.504505  0.228564  0.417261  1
  Al  Al26  1  0.504505  0.552968  0.391382  1
  Al  Al27  1  0.504505  0.877301  0.365315  1
  Al  Al28  1  0.004505  0.138974  0.384736  1
  Al  Al29  1  0.004505  0.462321  0.359663  1
  Al  Al30  1  0.004505  0.814117  0.409721  1
  Al  Al31  1  0.004505  0.238034  0.416499  1
  Al  Al32  1  0.004505  0.562805  0.390322  1
  Al  Al33  1  0.004505  0.886604  0.364592  1
  Al  Al34  1  0.004505  0.390577  0.404570  1
  Al  Al35  1  0.004505  0.714737  0.377788  1
  Al  Al36  1  0.004505  0.040330  0.352679  1
  Al  Al37  1  0.504505  0.327932  0.449044  1
  Al  Al38  1  0.504505  0.652373  0.422685  1
  Al  Al39  1  0.504505  1.003427  0.474261  1
  Al  Al40  1  0.504505  0.427400  0.480659  1
  Al  Al41  1  0.504505  0.751549  0.454428  1
  Al  Al42  1  0.504505  0.075836  0.429078  1
  Al  Al43  1  0.504505  0.255653  0.494237  1
  Al  Al44  1  0.504505  0.580111  0.468336  1
  Al  Al45  1  0.504505  0.904000  0.442422  1
  Al  Al46  1  0.004505  0.165714  0.461679  1
  Al  Al47  1  0.004505  0.490271  0.436021  1
  Al  Al48  1  0.004505  0.841263  0.486999  1
  Al  Al49  1  0.004505  0.265124  0.493496  1
  Al  Al50  1  0.004505  0.589638  0.467510  1
  Al  Al51  1  0.004505  0.913553  0.441668  1
  Al  Al52  1  0.004505  0.417909  0.481449  1
  Al  Al53  1  0.004505  0.742019  0.455232  1
  Al  Al54  1  0.004505  0.066354  0.429863  1
  Al  Al55  1  0.504505  0.355053  0.526000  1
  Al  Al56  1  0.504505  0.679308  0.499952  1
  Al  Al57  1  0.504505  0.030631  0.551255  1
  Al  Al58  1  0.504505  0.454450  0.557672  1
  Al  Al59  1  0.504505  0.778502  0.531624  1
  Al  Al60  1  0.504505  0.102894  0.506096  1
  Al  Al61  1  0.504505  0.282642  0.571325  1
  Al  Al62  1  0.504505  0.607062  0.545468  1
  Al  Al63  1  0.504505  0.931135  0.519500  1
  Al  Al64  1  0.004505  0.192836  0.538672  1
  Al  Al65  1  0.004505  0.517286  0.513026  1
  Al  Al66  1  0.004505  0.868331  0.564052  1
  Al  Al67  1  0.004505  0.292133  0.570507  1
  Al  Al68  1  0.004505  0.616546  0.544664  1
  Al  Al69  1  0.004505  0.940641  0.518742  1
  Al  Al70  1  0.004505  0.444939  0.558443  1
  Al  Al71  1  0.004505  0.768991  0.532431  1
  Al  Al72  1  0.004505  0.093408  0.506822  1
  Al  Al73  1  0.504505  0.381909  0.603098  1
  Al  Al74  1  0.504505  0.706278  0.577172  1
  Al  Al75  1  0.504505  0.057898  0.628022  1
  Al  Al76  1  0.504505  0.481618  0.634608  1
  Al  Al77  1  0.504505  0.805619  0.608671  1
  Al  Al78  1  0.504505  0.130128  0.583122  1
  Al  Al79  1  0.504505  0.308727  0.648091  1
  Al  Al80  1  0.504505  0.634317  0.622777  1
  Al  Al81  1  0.504505  0.958322  0.596448  1
  Al  Al82  1  0.004505  0.219754  0.615792  1
  Al  Al83  1  0.004505  0.544416  0.590173  1
  Al  Al84  1  0.004505  0.895395  0.640707  1
  Al  Al85  1  0.004505  0.318150  0.647783  1
  Al  Al86  1  0.004505  0.643725  0.621915  1
  Al  Al87  1  0.004505  0.967916  0.595645  1
  Al  Al88  1  0.004505  0.472221  0.635295  1
  Al  Al89  1  0.004505  0.795885  0.609499  1
  Al  Al90  1  0.004505  0.120586  0.583861  1
  Al  Al91  1  0.504505  0.408385  0.678363  1
  Al  Al92  1  0.504505  0.732792  0.653888  1
  Al  Al93  1  0.504505  0.085340  0.711105  1
  Al  Al94  1  0.504505  0.508520  0.714155  1
  Al  Al95  1  0.504505  0.831573  0.684543  1
  Al  Al96  1  0.504505  0.156384  0.659670  1
  Al  Al97  1  0.504505  0.333665  0.724770  1
  Al  Al98  1  0.504505  0.663708  0.702912  1
  Al  Al99  1  0.504505  0.986180  0.672328  1
  Al  Al100  1  0.004505  0.242763  0.698147  1
  Al  Al101  1  0.004505  0.571480  0.666472  1
  Al  Al102  1  0.004505  0.925909  0.722666  1
  Al  Al103  1  0.004505  0.348876  0.725339  1
  Al  Al104  1  0.004505  0.672204  0.702109  1
  Al  Al105  1  0.004505  0.994422  0.671816  1
  Al  Al106  1  0.004505  0.500068  0.714719  1
  Al  Al107  1  0.004505  0.822889  0.686681  1
  Al  Al108  1  0.004505  0.147240  0.660336  1
  Ni  Ni109  1  0.004505  0.274145  0.296766  1
  Ni  Ni110  1  0.004505  0.591914  0.273034  1
  Ni  Ni111  1  0.004505  0.950199  0.320573  1
  Ni  Ni112  1  0.254276  0.355080  0.290933  1
  Ni  Ni113  1  0.254998  0.705870  0.338342  1
  Ni  Ni114  1  0.253106  0.031629  0.314229  1
  Ni  Ni115  1  0.257727  0.194761  0.301967  1
  Ni  Ni116  1  0.254513  0.514069  0.278980  1
  Ni  Ni117  1  0.254169  0.868862  0.326340  1
  Ni  Ni118  1  0.741919  0.287285  0.333055  1
  Ni  Ni119  1  0.745000  0.610554  0.307477  1
  Ni  Ni120  1  0.750751  0.938480  0.284838  1
  Ni  Ni121  1  0.267092  0.287285  0.333055  1
  Ni  Ni122  1  0.264011  0.610554  0.307477  1
  Ni  Ni123  1  0.258259  0.938480  0.284838  1
  Ni  Ni124  1  0.504505  0.112563  0.309482  1
  Ni  Ni125  1  0.504505  0.435200  0.284856  1
  Ni  Ni126  1  0.504505  0.788040  0.332795  1
  Ni  Ni127  1  0.751284  0.194761  0.301967  1
  Ni  Ni128  1  0.754498  0.514069  0.278980  1
  Ni  Ni129  1  0.754842  0.868862  0.326340  1
  Ni  Ni130  1  0.754734  0.355080  0.290933  1
  Ni  Ni131  1  0.754013  0.705870  0.338342  1
  Ni  Ni132  1  0.755905  0.031629  0.314229  1
  Ni  Ni133  1  0.265467  0.102705  0.273299  1
  Ni  Ni134  1  0.242810  0.447831  0.320919  1
  Ni  Ni135  1  0.248591  0.775665  0.296773  1
  Ni  Ni136  1  0.743544  0.102705  0.273299  1
  Ni  Ni137  1  0.766200  0.447831  0.320919  1
  Ni  Ni138  1  0.760420  0.775665  0.296773  1
  Ni  Ni139  1  0.004505  0.300623  0.371977  1
  Ni  Ni140  1  0.004505  0.626127  0.344671  1
  Ni  Ni141  1  0.004505  0.976552  0.397211  1
  Ni  Ni142  1  0.254517  0.381365  0.365716  1
  Ni  Ni143  1  0.254576  0.733261  0.416159  1
  Ni  Ni144  1  0.253951  0.057775  0.390983  1
  Ni  Ni145  1  0.254805  0.219958  0.378298  1
  Ni  Ni146  1  0.254593  0.544076  0.352617  1
  Ni  Ni147  1  0.254419  0.895278  0.403487  1
  Ni  Ni148  1  0.747896  0.314300  0.410595  1
  Ni  Ni149  1  0.748049  0.638895  0.384007  1
  Ni  Ni150  1  0.749421  0.963304  0.358748  1
  Ni  Ni151  1  0.261115  0.314300  0.410595  1
  Ni  Ni152  1  0.260962  0.638895  0.384007  1
  Ni  Ni153  1  0.259590  0.963304  0.358748  1
  Ni  Ni154  1  0.504505  0.138848  0.384647  1
  Ni  Ni155  1  0.504505  0.462399  0.359300  1
  Ni  Ni156  1  0.504505  0.814181  0.409769  1
  Ni  Ni157  1  0.754206  0.219958  0.378298  1
  Ni  Ni158  1  0.754418  0.544076  0.352617  1
  Ni  Ni159  1  0.754592  0.895278  0.403487  1
  Ni  Ni160  1  0.754494  0.381365  0.365716  1
  Ni  Ni161  1  0.754435  0.733261  0.416159  1
  Ni  Ni162  1  0.755060  0.057775  0.390983  1
  Ni  Ni163  1  0.246442  0.125880  0.346150  1
  Ni  Ni164  1  0.248336  0.476523  0.397704  1
  Ni  Ni165  1  0.248640  0.800625  0.371100  1
  Ni  Ni166  1  0.762569  0.125880  0.346150  1
  Ni  Ni167  1  0.760675  0.476523  0.397704  1
  Ni  Ni168  1  0.760371  0.800625  0.371100  1
  Ni  Ni169  1  0.004505  0.327915  0.449042  1
  Ni  Ni170  1  0.004505  0.652413  0.422737  1
  Ni  Ni171  1  0.004505  1.003442  0.474271  1
  Ni  Ni172  1  0.254443  0.409065  0.442604  1
  Ni  Ni173  1  0.254505  0.760272  0.493449  1
  Ni  Ni174  1  0.254570  0.084582  0.467967  1
  Ni  Ni175  1  0.254494  0.246820  0.455384  1
  Ni  Ni176  1  0.254379  0.571381  0.429381  1
  Ni  Ni177  1  0.254501  0.922322  0.480602  1
  Ni  Ni178  1  0.747842  0.341515  0.487503  1
  Ni  Ni179  1  0.747542  0.665852  0.461343  1
  Ni  Ni180  1  0.747804  0.989924  0.435746  1
  Ni  Ni181  1  0.261169  0.341515  0.487503  1
  Ni  Ni182  1  0.261468  0.665852  0.461343  1
  Ni  Ni183  1  0.261207  0.989924  0.435746  1
  Ni  Ni184  1  0.504505  0.165720  0.461682  1
  Ni  Ni185  1  0.504505  0.490203  0.436073  1
  Ni  Ni186  1  0.504505  0.841266  0.486992  1
  Ni  Ni187  1  0.754517  0.246820  0.455384  1
  Ni  Ni188  1  0.754631  0.571381  0.429381  1
  Ni  Ni189  1  0.754510  0.922322  0.480602  1
  Ni  Ni190  1  0.754567  0.409065  0.442604  1
  Ni  Ni191  1  0.754505  0.760272  0.493449  1
  Ni  Ni192  1  0.754441  0.084582  0.467967  1
  Ni  Ni193  1  0.247888  0.152264  0.423187  1
  Ni  Ni194  1  0.247779  0.503788  0.474510  1
  Ni  Ni195  1  0.247518  0.827730  0.448393  1
  Ni  Ni196  1  0.761123  0.152264  0.423187  1
  Ni  Ni197  1  0.761232  0.503788  0.474510  1
  Ni  Ni198  1  0.761493  0.827730  0.448393  1
  Ni  Ni199  1  0.004505  0.355040  0.525996  1
  Ni  Ni200  1  0.004505  0.679309  0.499956  1
  Ni  Ni201  1  0.004505  0.030650  0.551230  1
  Ni  Ni202  1  0.254515  0.436178  0.519545  1
  Ni  Ni203  1  0.254501  0.787243  0.570572  1
  Ni  Ni204  1  0.254510  0.111753  0.544953  1
  Ni  Ni205  1  0.254572  0.273938  0.532369  1
  Ni  Ni206  1  0.254498  0.598320  0.506490  1
  Ni  Ni207  1  0.254521  0.949485  0.557599  1
  Ni  Ni208  1  0.747693  0.368508  0.564529  1
  Ni  Ni209  1  0.747583  0.692770  0.538549  1
  Ni  Ni210  1  0.747776  0.017018  0.512767  1
  Ni  Ni211  1  0.261318  0.368508  0.564529  1
  Ni  Ni212  1  0.261428  0.692770  0.538549  1
  Ni  Ni213  1  0.261235  0.017018  0.512767  1
  Ni  Ni214  1  0.504505  0.192843  0.538677  1
  Ni  Ni215  1  0.504505  0.517285  0.513033  1
  Ni  Ni216  1  0.504505  0.868343  0.564029  1
  Ni  Ni217  1  0.754439  0.273938  0.532369  1
  Ni  Ni218  1  0.754513  0.598320  0.506490  1
  Ni  Ni219  1  0.754490  0.949485  0.557599  1
  Ni  Ni220  1  0.754496  0.436178  0.519545  1
  Ni  Ni221  1  0.754510  0.787243  0.570572  1
  Ni  Ni222  1  0.754501  0.111753  0.544953  1
  Ni  Ni223  1  0.247810  0.179273  0.500172  1
  Ni  Ni224  1  0.247678  0.530798  0.551580  1
  Ni  Ni225  1  0.247736  0.854793  0.525545  1
  Ni  Ni226  1  0.761201  0.179273  0.500172  1
  Ni  Ni227  1  0.761333  0.530798  0.551580  1
  Ni  Ni228  1  0.761275  0.854793  0.525545  1
  Ni  Ni229  1  0.004505  0.381974  0.602945  1
  Ni  Ni230  1  0.004505  0.706216  0.577114  1
  Ni  Ni231  1  0.004505  0.057915  0.628344  1
  Ni  Ni232  1  0.254613  0.463219  0.596559  1
  Ni  Ni233  1  0.252792  0.814366  0.647452  1
  Ni  Ni234  1  0.254478  0.138872  0.622107  1
  Ni  Ni235  1  0.253929  0.300639  0.609521  1
  Ni  Ni236  1  0.254583  0.625350  0.583670  1
  Ni  Ni237  1  0.254379  0.976812  0.634424  1
  Ni  Ni238  1  0.750154  0.395107  0.641398  1
  Ni  Ni239  1  0.748270  0.719750  0.615763  1
  Ni  Ni240  1  0.748021  0.044278  0.589690  1
  Ni  Ni241  1  0.258857  0.395107  0.641398  1
  Ni  Ni242  1  0.260741  0.719750  0.615763  1
  Ni  Ni243  1  0.260989  0.044278  0.589690  1
  Ni  Ni244  1  0.504505  0.219857  0.615886  1
  Ni  Ni245  1  0.504505  0.544434  0.590124  1
  Ni  Ni246  1  0.504505  0.895460  0.641068  1
  Ni  Ni247  1  0.755082  0.300639  0.609521  1
  Ni  Ni248  1  0.754427  0.625350  0.583670  1
  Ni  Ni249  1  0.754632  0.976812  0.634424  1
  Ni  Ni250  1  0.754398  0.463219  0.596559  1
  Ni  Ni251  1  0.756218  0.814366  0.647452  1
  Ni  Ni252  1  0.754532  0.138872  0.622107  1
  Ni  Ni253  1  0.247690  0.206335  0.577214  1
  Ni  Ni254  1  0.248783  0.558147  0.628750  1
  Ni  Ni255  1  0.248089  0.881933  0.602460  1
  Ni  Ni256  1  0.761321  0.206335  0.577214  1
  Ni  Ni257  1  0.760228  0.558147  0.628750  1
  Ni  Ni258  1  0.760922  0.881933  0.602460  1
  Ni  Ni259  1  0.004505  0.409738  0.679250  1
  Ni  Ni260  1  0.004505  0.732446  0.654515  1
  Ni  Ni261  1  0.004505  0.083504  0.702898  1
  Ni  Ni262  1  0.255018  0.490507  0.673478  1
  Ni  Ni263  1  0.262409  0.843365  0.720903  1
  Ni  Ni264  1  0.257689  0.163568  0.697219  1
  Ni  Ni265  1  0.251517  0.326606  0.686034  1
  Ni  Ni266  1  0.254801  0.652871  0.661277  1
  Ni  Ni267  1  0.254310  1.002885  0.708955  1
  Ni  Ni268  1  0.743280  0.421462  0.714836  1
  Ni  Ni269  1  0.743969  0.747894  0.691810  1
  Ni  Ni270  1  0.741990  0.071274  0.666990  1
  Ni  Ni271  1  0.265730  0.421462  0.714836  1
  Ni  Ni272  1  0.265042  0.747894  0.691810  1
  Ni  Ni273  1  0.267021  0.071274  0.666990  1
  Ni  Ni274  1  0.504505  0.244986  0.691716  1
  Ni  Ni275  1  0.504505  0.571668  0.667185  1
  Ni  Ni276  1  0.504505  0.923249  0.714708  1
  Ni  Ni277  1  0.757494  0.326606  0.686034  1
  Ni  Ni278  1  0.754210  0.652871  0.661277  1
  Ni  Ni279  1  0.754701  1.002885  0.708955  1
  Ni  Ni280  1  0.753992  0.490507  0.673478  1
  Ni  Ni281  1  0.746602  0.843365  0.720903  1
  Ni  Ni282  1  0.751322  0.163568  0.697219  1
  Ni  Ni283  1  0.242483  0.232941  0.654969  1
  Ni  Ni284  1  0.247506  0.584015  0.702866  1
  Ni  Ni285  1  0.242554  0.909832  0.679056  1
  Ni  Ni286  1  0.766528  0.232941  0.654969  1
  Ni  Ni287  1  0.761505  0.584015  0.702866  1
  Ni  Ni288  1  0.766457  0.909832  0.679056  1
