# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69357246
_cell_length_b   13.93871026
_cell_length_c   53.08882234
_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   'Al72 Ni120'
_cell_volume   4213.18504836
_cell_formula_units_Z   24
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  1.013683  0.973184  0.243353  1
  Al  Al2  1  1.047548  0.441370  0.329821  1
  Al  Al3  1  0.062606  0.209330  0.288469  1
  Al  Al4  1  0.054087  0.640920  0.317000  1
  Al  Al5  1  0.052392  0.407882  0.276165  1
  Al  Al6  1  1.048591  0.175523  0.233121  1
  Al  Al7  1  1.045958  0.777990  0.259838  1
  Al  Al8  1  1.048689  0.244839  0.342370  1
  Al  Al9  1  0.055620  0.011893  0.300832  1
  Al  Al10  1  0.536247  0.828864  0.308565  1
  Al  Al11  1  0.553885  0.592277  0.267589  1
  Al  Al12  1  0.555834  0.356078  0.224370  1
  Al  Al13  1  0.571534  0.793074  0.254757  1
  Al  Al14  1  0.552839  0.255806  0.338270  1
  Al  Al15  1  0.543447  0.024304  0.296329  1
  Al  Al16  1  0.550253  0.629052  0.321690  1
  Al  Al17  1  0.550444  0.397198  0.279539  1
  Al  Al18  1  0.552128  0.160060  0.237960  1
  Al  Al19  1  1.047169  0.675368  0.371188  1
  Al  Al20  1  1.044005  0.139135  0.454775  1
  Al  Al21  1  0.057683  0.906758  0.413188  1
  Al  Al22  1  1.049925  0.337088  0.442073  1
  Al  Al23  1  0.052632  0.104420  0.400692  1
  Al  Al24  1  1.048267  0.872497  0.358897  1
  Al  Al25  1  0.051754  0.477489  0.383980  1
  Al  Al26  1  1.050262  0.941453  0.467387  1
  Al  Al27  1  0.051334  0.709481  0.425577  1
  Al  Al28  1  0.554183  0.523664  0.433764  1
  Al  Al29  1  0.543680  0.290834  0.392371  1
  Al  Al30  1  0.562609  0.058712  0.350865  1
  Al  Al31  1  0.550858  0.488756  0.379564  1
  Al  Al32  1  0.551970  0.952727  0.463089  1
  Al  Al33  1  0.550391  0.720848  0.421322  1
  Al  Al34  1  0.552240  0.325873  0.446435  1
  Al  Al35  1  0.549289  0.093205  0.404963  1
  Al  Al36  1  0.553155  0.861062  0.363192  1
  Al  Al37  1  0.058220  0.371942  0.496201  1
  Al  Al38  1  0.054636  0.835649  0.579714  1
  Al  Al39  1  1.044446  0.603375  0.538122  1
  Al  Al40  1  1.050193  0.033694  0.566862  1
  Al  Al41  1  1.050813  0.801139  0.525550  1
  Al  Al42  1  0.051835  0.569316  0.483777  1
  Al  Al43  1  0.052212  0.174145  0.508859  1
  Al  Al44  1  0.053599  0.637950  0.592323  1
  Al  Al45  1  1.049055  0.406363  0.550406  1
  Al  Al46  1  0.559129  0.220526  0.558607  1
  Al  Al47  1  0.547608  0.987468  0.517217  1
  Al  Al48  1  0.551157  0.755198  0.475637  1
  Al  Al49  1  0.549747  0.185313  0.504479  1
  Al  Al50  1  0.549155  0.649491  0.587942  1
  Al  Al51  1  0.553058  0.417735  0.546223  1
  Al  Al52  1  0.551394  0.022650  0.571342  1
  Al  Al53  1  0.551576  0.789788  0.529853  1
  Al  Al54  1  0.550002  0.557974  0.488026  1
  Al  Al55  1  0.055678  0.069750  0.621023  1
  Al  Al56  1  0.089611  0.539641  0.707361  1
  Al  Al57  1  1.036601  0.299089  0.663467  1
  Al  Al58  1  0.055651  0.733700  0.690818  1
  Al  Al59  1  1.047373  0.498827  0.650138  1
  Al  Al60  1  0.053998  0.266615  0.608852  1
  Al  Al61  1  1.048099  0.870635  0.633921  1
  Al  Al62  1  0.053923  0.340713  0.717806  1
  Al  Al63  1  1.049774  0.101666  0.673805  1
  Al  Al64  1  0.547055  0.921307  0.683587  1
  Al  Al65  1  0.566064  0.683288  0.642407  1
  Al  Al66  1  0.538998  0.451193  0.600698  1
  Al  Al67  1  0.551795  0.881803  0.629010  1
  Al  Al68  1  0.551740  0.348809  0.712556  1
  Al  Al69  1  0.552741  0.114801  0.671571  1
  Al  Al70  1  0.530282  0.718495  0.696061  1
  Al  Al71  1  0.558224  0.486309  0.654862  1
  Al  Al72  1  0.548702  0.255049  0.612712  1
  Ni  Ni73  1  0.559832  0.979040  0.244229  1
  Ni  Ni74  1  0.554520  0.441679  0.330055  1
  Ni  Ni75  1  0.540429  0.207546  0.288149  1
  Ni  Ni76  1  0.296346  0.904192  0.275418  1
  Ni  Ni77  1  0.303882  0.668120  0.236058  1
  Ni  Ni78  1  0.301545  0.133467  0.320466  1
  Ni  Ni79  1  0.300428  0.750965  0.340449  1
  Ni  Ni80  1  0.303117  0.517762  0.299041  1
  Ni  Ni81  1  0.301706  0.286078  0.257064  1
  Ni  Ni82  1  0.283293  0.853281  0.226778  1
  Ni  Ni83  1  0.287617  0.326951  0.309283  1
  Ni  Ni84  1  0.275019  0.088950  0.266321  1
  Ni  Ni85  1  0.818478  0.558649  0.350451  1
  Ni  Ni86  1  0.815142  0.324415  0.308532  1
  Ni  Ni87  1  0.819962  0.094633  0.268435  1
  Ni  Ni88  1  0.062552  0.827749  0.308551  1
  Ni  Ni89  1  0.051591  0.595319  0.268409  1
  Ni  Ni90  1  1.048433  0.359457  0.224885  1
  Ni  Ni91  1  0.800399  0.752059  0.339352  1
  Ni  Ni92  1  0.800355  0.518163  0.298945  1
  Ni  Ni93  1  0.801583  0.284647  0.258071  1
  Ni  Ni94  1  0.799198  0.904506  0.278795  1
  Ni  Ni95  1  0.806047  0.661833  0.235191  1
  Ni  Ni96  1  0.801390  0.134479  0.318819  1
  Ni  Ni97  1  0.781027  0.711431  0.289153  1
  Ni  Ni98  1  0.794143  0.478823  0.245987  1
  Ni  Ni99  1  0.784000  0.941028  0.329171  1
  Ni  Ni100  1  0.322968  0.710159  0.287679  1
  Ni  Ni101  1  0.309940  0.479309  0.245654  1
  Ni  Ni102  1  0.317394  0.944831  0.330808  1
  Ni  Ni103  1  0.554342  0.675143  0.371130  1
  Ni  Ni104  1  0.556693  0.139126  0.454804  1
  Ni  Ni105  1  0.545539  0.906745  0.413196  1
  Ni  Ni106  1  0.301282  0.599457  0.402453  1
  Ni  Ni107  1  0.300122  0.366813  0.360827  1
  Ni  Ni108  1  0.301217  0.830761  0.444626  1
  Ni  Ni109  1  0.301215  0.448138  0.464648  1
  Ni  Ni110  1  0.300563  0.214527  0.424034  1
  Ni  Ni111  1  0.301709  0.983281  0.381457  1
  Ni  Ni112  1  0.283548  0.558578  0.350517  1
  Ni  Ni113  1  0.284617  0.023992  0.434367  1
  Ni  Ni114  1  0.284912  0.790081  0.391936  1
  Ni  Ni115  1  0.817597  0.256734  0.475803  1
  Ni  Ni116  1  0.817253  0.021806  0.433680  1
  Ni  Ni117  1  0.817467  0.791686  0.392546  1
  Ni  Ni118  1  1.048512  0.523656  0.433722  1
  Ni  Ni119  1  0.056989  0.290869  0.392435  1
  Ni  Ni120  1  1.041035  0.058555  0.350838  1
  Ni  Ni121  1  0.801756  0.447426  0.465287  1
  Ni  Ni122  1  0.800200  0.215553  0.423160  1
  Ni  Ni123  1  0.801656  0.982074  0.382609  1
  Ni  Ni124  1  0.800818  0.599395  0.402489  1
  Ni  Ni125  1  0.801118  0.366088  0.361536  1
  Ni  Ni126  1  0.801402  0.831228  0.444203  1
  Ni  Ni127  1  0.784292  0.406499  0.412778  1
  Ni  Ni128  1  0.785074  0.176295  0.372109  1
  Ni  Ni129  1  0.784972  0.639684  0.454759  1
  Ni  Ni130  1  0.317529  0.408215  0.413278  1
  Ni  Ni131  1  0.316873  0.173275  0.371139  1
  Ni  Ni132  1  0.317424  0.639198  0.454610  1
  Ni  Ni133  1  0.545221  0.371975  0.496139  1
  Ni  Ni134  1  0.548028  0.835824  0.579802  1
  Ni  Ni135  1  0.556468  0.603378  0.538158  1
  Ni  Ni136  1  0.302271  0.295650  0.527824  1
  Ni  Ni137  1  0.300365  0.063667  0.485688  1
  Ni  Ni138  1  0.300056  0.527995  0.568828  1
  Ni  Ni139  1  0.299957  0.145368  0.589261  1
  Ni  Ni140  1  0.301412  0.911655  0.548490  1
  Ni  Ni141  1  0.300847  0.679151  0.507085  1
  Ni  Ni142  1  0.284457  0.254431  0.475119  1
  Ni  Ni143  1  0.284500  0.718821  0.558623  1
  Ni  Ni144  1  0.284975  0.488871  0.517464  1
  Ni  Ni145  1  0.818897  0.952682  0.600330  1
  Ni  Ni146  1  0.817298  0.720427  0.559184  1
  Ni  Ni147  1  0.817309  0.486732  0.516725  1
  Ni  Ni148  1  1.044485  0.220584  0.558440  1
  Ni  Ni149  1  0.053787  0.987492  0.517266  1
  Ni  Ni150  1  1.050929  0.755193  0.475652  1
  Ni  Ni151  1  0.803215  0.144593  0.590100  1
  Ni  Ni152  1  0.800615  0.911612  0.548485  1
  Ni  Ni153  1  0.800681  0.679584  0.506685  1
  Ni  Ni154  1  0.801170  0.296666  0.526874  1
  Ni  Ni155  1  0.800773  0.062930  0.486327  1
  Ni  Ni156  1  0.800694  0.526817  0.569994  1
  Ni  Ni157  1  0.784384  0.103031  0.537620  1
  Ni  Ni158  1  0.784572  0.871575  0.496550  1
  Ni  Ni159  1  0.785588  0.337781  0.580073  1
  Ni  Ni160  1  0.317958  0.104904  0.538168  1
  Ni  Ni161  1  0.317173  0.870995  0.496383  1
  Ni  Ni162  1  0.316675  0.334707  0.578933  1
  Ni  Ni163  1  0.546804  0.069764  0.620547  1
  Ni  Ni164  1  0.542310  0.531989  0.706628  1
  Ni  Ni165  1  0.564281  0.299454  0.664420  1
  Ni  Ni166  1  0.304980  -0.007094  0.651688  1
  Ni  Ni167  1  0.301170  0.759033  0.611541  1
  Ni  Ni168  1  0.295173  0.222142  0.694742  1
  Ni  Ni169  1  0.294975  0.849320  0.715363  1
  Ni  Ni170  1  0.303554  0.607055  0.672013  1
  Ni  Ni171  1  0.302355  0.374587  0.633096  1
  Ni  Ni172  1  0.283377  0.952394  0.600337  1
  Ni  Ni173  1  0.282227  0.416232  0.682458  1
  Ni  Ni174  1  0.287976  0.186868  0.642510  1
  Ni  Ni175  1  0.818418  0.658365  0.723998  1
  Ni  Ni176  1  0.827631  0.423289  0.684487  1
  Ni  Ni177  1  0.813764  0.183814  0.641405  1
  Ni  Ni178  1  0.051322  0.918146  0.682447  1
  Ni  Ni179  1  1.039515  0.684314  0.642469  1
  Ni  Ni180  1  0.061404  0.451328  0.600885  1
  Ni  Ni181  1  0.798773  0.843141  0.714482  1
  Ni  Ni182  1  0.805287  0.607258  0.675366  1
  Ni  Ni183  1  0.798947  0.375935  0.631368  1
  Ni  Ni184  1  0.795980  -0.006795  0.651590  1
  Ni  Ni185  1  0.802261  0.760143  0.610451  1
  Ni  Ni186  1  0.806964  0.219067  0.696498  1
  Ni  Ni187  1  0.778293  0.802649  0.663336  1
  Ni  Ni188  1  0.784252  0.566073  0.620477  1
  Ni  Ni189  1  0.795030  0.034486  0.705756  1
  Ni  Ni190  1  0.321674  0.801140  0.661867  1
  Ni  Ni191  1  0.318727  0.570192  0.622002  1
  Ni  Ni192  1  0.305379  0.036710  0.705702  1
