# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.96392350
_cell_length_b   6.93200333
_cell_length_c   48.03234853
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   74.09679859
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5432.13115381
_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  0.558801  0.956219  0.318560  1
  Al  Al2  1  0.080221  0.232155  0.282258  1
  Al  Al3  1  0.705364  0.690853  0.291644  1
  Al  Al4  1  0.187162  0.359548  0.326814  1
  Al  Al5  1  0.450927  0.860945  0.276167  1
  Al  Al6  1  0.936414  0.526060  0.307334  1
  Al  Al7  1  0.300223  0.780735  0.334173  1
  Al  Al8  1  0.818167  0.115158  0.299228  1
  Al  Al9  1  0.445138  0.529688  0.308013  1
  Al  Al10  1  0.971602  0.841336  0.276407  1
  Al  Al11  1  0.672023  0.375374  0.325583  1
  Al  Al12  1  0.188042  0.705334  0.289813  1
  Al  Al13  1  0.518066  0.306982  0.385012  1
  Al  Al14  1  0.039436  0.620292  0.349449  1
  Al  Al15  1  0.663263  0.045644  0.358463  1
  Al  Al16  1  0.143238  0.720824  0.391675  1
  Al  Al17  1  0.411576  0.214204  0.341531  1
  Al  Al18  1  0.894531  0.888651  0.374350  1
  Al  Al19  1  0.258896  0.141797  0.401022  1
  Al  Al20  1  0.778189  0.466821  0.367592  1
  Al  Al21  1  0.403913  0.881668  0.376164  1
  Al  Al22  1  0.923136  0.203293  0.342480  1
  Al  Al23  1  0.634810  0.730011  0.391652  1
  Al  Al24  1  0.154771  0.046140  0.358044  1
  Al  Al25  1  0.479643  0.666310  0.451062  1
  Al  Al26  1  0.999486  0.981597  0.416261  1
  Al  Al27  1  0.623433  0.402460  0.426129  1
  Al  Al28  1  0.103804  0.079497  0.458827  1
  Al  Al29  1  0.375504  0.567831  0.408548  1
  Al  Al30  1  0.855345  0.246014  0.441643  1
  Al  Al31  1  0.219785  0.504334  0.466796  1
  Al  Al32  1  0.739485  0.825037  0.433856  1
  Al  Al33  1  0.363218  0.242198  0.442513  1
  Al  Al34  1  0.883382  0.561768  0.408582  1
  Al  Al35  1  0.595497  0.087299  0.458773  1
  Al  Al36  1  0.115199  0.406321  0.424931  1
  Al  Al37  1  0.439678  0.025390  0.517728  1
  Al  Al38  1  0.960185  0.340606  0.483274  1
  Al  Al39  1  0.583977  0.761370  0.492790  1
  Al  Al40  1  0.064493  0.437933  0.525620  1
  Al  Al41  1  0.335418  0.926980  0.475577  1
  Al  Al42  1  0.815659  0.604297  0.508444  1
  Al  Al43  1  0.180194  0.860520  0.534043  1
  Al  Al44  1  0.699893  0.183594  0.500705  1
  Al  Al45  1  0.324243  0.600198  0.509522  1
  Al  Al46  1  0.844171  0.919389  0.475547  1
  Al  Al47  1  0.555368  0.446320  0.525790  1
  Al  Al48  1  0.075587  0.764690  0.491667  1
  Al  Al49  1  0.400088  0.382281  0.585164  1
  Al  Al50  1  0.920240  0.698748  0.550180  1
  Al  Al51  1  0.544629  0.119394  0.559694  1
  Al  Al52  1  0.024404  0.796980  0.592699  1
  Al  Al53  1  0.295637  0.285659  0.542330  1
  Al  Al54  1  0.775869  0.962846  0.575246  1
  Al  Al55  1  0.140420  0.220390  0.600458  1
  Al  Al56  1  0.659914  0.542247  0.567707  1
  Al  Al57  1  0.284723  0.958640  0.576133  1
  Al  Al58  1  0.804453  0.278056  0.542498  1
  Al  Al59  1  0.515983  0.804221  0.592624  1
  Al  Al60  1  0.036122  0.122961  0.558536  1
  Al  Al61  1  0.359959  0.744786  0.651635  1
  Al  Al62  1  0.881125  0.056221  0.616640  1
  Al  Al63  1  0.504939  0.477212  0.626843  1
  Al  Al64  1  0.986653  0.153401  0.659289  1
  Al  Al65  1  0.256303  0.644218  0.609537  1
  Al  Al66  1  0.736587  0.319823  0.642574  1
  Al  Al67  1  0.100186  0.579309  0.666958  1
  Al  Al68  1  0.620289  0.899207  0.635252  1
  Al  Al69  1  0.244201  0.319493  0.643269  1
  Al  Al70  1  0.764614  0.635969  0.609406  1
  Al  Al71  1  0.477520  0.162048  0.659003  1
  Al  Al72  1  0.996031  0.483122  0.625312  1
  Al  Al73  1  0.321919  0.131350  0.718504  1
  Al  Al74  1  0.840576  0.413723  0.682167  1
  Al  Al75  1  0.460692  0.840144  0.692953  1
  Al  Al76  1  0.950684  0.502580  0.726028  1
  Al  Al77  1  0.214207  0.005619  0.674503  1
  Al  Al78  1  0.698389  0.668751  0.709115  1
  Al  Al79  1  0.060587  0.962084  0.733017  1
  Al  Al80  1  0.582000  0.267095  0.701435  1
  Al  Al81  1  0.209835  0.664254  0.711404  1
  Al  Al82  1  0.727248  0.989254  0.675576  1
  Al  Al83  1  0.429623  0.523477  0.724522  1
  Al  Al84  1  0.955945  0.837498  0.693439  1
  Ni  Ni85  1  0.572436  0.283957  0.287080  1
  Ni  Ni86  1  0.061718  0.936000  0.315284  1
  Ni  Ni87  1  0.446993  0.192556  0.292601  1
  Ni  Ni88  1  0.928789  0.866858  0.324826  1
  Ni  Ni89  1  0.689181  0.033730  0.307466  1
  Ni  Ni90  1  0.209576  0.339441  0.277996  1
  Ni  Ni91  1  0.586152  0.939655  0.270160  1
  Ni  Ni92  1  0.073039  0.577902  0.300724  1
  Ni  Ni93  1  0.570894  0.628144  0.299602  1
  Ni  Ni94  1  0.050709  0.283433  0.331959  1
  Ni  Ni95  1  0.322529  0.099875  0.302668  1
  Ni  Ni96  1  0.836421  0.431240  0.270921  1
  Ni  Ni97  1  0.701968  0.353551  0.276669  1
  Ni  Ni98  1  0.193048  0.025599  0.309147  1
  Ni  Ni99  1  0.430960  0.865405  0.326443  1
  Ni  Ni100  1  0.948569  0.182818  0.293545  1
  Ni  Ni101  1  0.323780  0.767856  0.285148  1
  Ni  Ni102  1  0.807554  0.447500  0.319148  1
  Ni  Ni103  1  0.309625  0.456127  0.313058  1
  Ni  Ni104  1  0.831549  0.779446  0.284279  1
  Ni  Ni105  1  0.540744  0.631691  0.350559  1
  Ni  Ni106  1  0.019203  0.302421  0.382571  1
  Ni  Ni107  1  0.411650  0.546168  0.358483  1
  Ni  Ni108  1  0.889172  0.224394  0.391961  1
  Ni  Ni109  1  0.647976  0.386484  0.375729  1
  Ni  Ni110  1  0.169122  0.704444  0.341131  1
  Ni  Ni111  1  0.545675  0.289625  0.336180  1
  Ni  Ni112  1  0.029349  0.956725  0.366200  1
  Ni  Ni113  1  0.528108  0.975567  0.367154  1
  Ni  Ni114  1  0.009584  0.645901  0.399135  1
  Ni  Ni115  1  0.280350  0.466165  0.365482  1
  Ni  Ni116  1  0.797963  0.793196  0.333615  1
  Ni  Ni117  1  0.670265  0.708677  0.341679  1
  Ni  Ni118  1  0.150070  0.382634  0.375477  1
  Ni  Ni119  1  0.387670  0.226298  0.391995  1
  Ni  Ni120  1  0.908161  0.547055  0.357865  1
  Ni  Ni121  1  0.289321  0.114811  0.352080  1
  Ni  Ni122  1  0.768323  0.803787  0.384065  1
  Ni  Ni123  1  0.269456  0.807075  0.383363  1
  Ni  Ni124  1  0.788735  0.134468  0.349256  1
  Ni  Ni125  1  0.498836  0.988440  0.417504  1
  Ni  Ni126  1  0.979691  0.661104  0.449828  1
  Ni  Ni127  1  0.369648  0.903920  0.425893  1
  Ni  Ni128  1  0.849626  0.582664  0.458567  1
  Ni  Ni129  1  0.609479  0.745452  0.442240  1
  Ni  Ni130  1  0.128787  0.063364  0.408436  1
  Ni  Ni131  1  0.509415  0.643091  0.401384  1
  Ni  Ni132  1  0.989316  0.317471  0.433428  1
  Ni  Ni133  1  0.489137  0.330886  0.434381  1
  Ni  Ni134  1  0.970256  0.004783  0.466095  1
  Ni  Ni135  1  0.239379  0.823540  0.433786  1
  Ni  Ni136  1  0.759139  0.146851  0.400175  1
  Ni  Ni137  1  0.629743  0.065442  0.408766  1
  Ni  Ni138  1  0.109311  0.743398  0.441710  1
  Ni  Ni139  1  0.349898  0.584437  0.459057  1
  Ni  Ni140  1  0.869366  0.904050  0.424963  1
  Ni  Ni141  1  0.249272  0.480342  0.416799  1
  Ni  Ni142  1  0.729385  0.160372  0.450972  1
  Ni  Ni143  1  0.229592  0.167622  0.450358  1
  Ni  Ni144  1  0.749191  0.489797  0.416960  1
  Ni  Ni145  1  0.459233  0.345345  0.484752  1
  Ni  Ni146  1  0.940308  0.019417  0.516682  1
  Ni  Ni147  1  0.329244  0.264335  0.492403  1
  Ni  Ni148  1  0.810058  0.941208  0.525425  1
  Ni  Ni149  1  0.570012  0.103646  0.509262  1
  Ni  Ni150  1  0.090051  0.422208  0.475251  1
  Ni  Ni151  1  0.469091  0.002532  0.468041  1
  Ni  Ni152  1  0.949832  0.675902  0.500477  1
  Ni  Ni153  1  0.449946  0.689442  0.500747  1
  Ni  Ni154  1  0.930706  0.363083  0.532933  1
  Ni  Ni155  1  0.199776  0.182019  0.500635  1
  Ni  Ni156  1  0.719362  0.504095  0.467429  1
  Ni  Ni157  1  0.589356  0.424150  0.475955  1
  Ni  Ni158  1  0.070084  0.100974  0.508718  1
  Ni  Ni159  1  0.309991  0.942891  0.525880  1
  Ni  Ni160  1  0.830054  0.261833  0.492049  1
  Ni  Ni161  1  0.209489  0.838798  0.484337  1
  Ni  Ni162  1  0.689424  0.519188  0.518005  1
  Ni  Ni163  1  0.190410  0.525748  0.516587  1
  Ni  Ni164  1  0.710029  0.847900  0.483622  1
  Ni  Ni165  1  0.419901  0.704021  0.551347  1
  Ni  Ni166  1  0.900767  0.377570  0.583348  1
  Ni  Ni167  1  0.290406  0.621387  0.559506  1
  Ni  Ni168  1  0.770422  0.299619  0.592409  1
  Ni  Ni169  1  0.529959  0.461774  0.576286  1
  Ni  Ni170  1  0.050051  0.780459  0.542155  1
  Ni  Ni171  1  0.429352  0.360272  0.535313  1
  Ni  Ni172  1  0.910326  0.033925  0.567149  1
  Ni  Ni173  1  0.410503  0.047770  0.567488  1
  Ni  Ni174  1  0.890531  0.721160  0.599821  1
  Ni  Ni175  1  0.160420  0.540402  0.567141  1
  Ni  Ni176  1  0.679859  0.862825  0.534344  1
  Ni  Ni177  1  0.549790  0.783229  0.542673  1
  Ni  Ni178  1  0.030354  0.460474  0.575441  1
  Ni  Ni179  1  0.270164  0.301735  0.592770  1
  Ni  Ni180  1  0.790103  0.620335  0.558909  1
  Ni  Ni181  1  0.169946  0.196514  0.550959  1
  Ni  Ni182  1  0.649722  0.877678  0.585170  1
  Ni  Ni183  1  0.150766  0.883469  0.583752  1
  Ni  Ni184  1  0.670344  0.206893  0.550429  1
  Ni  Ni185  1  0.380801  0.063811  0.618170  1
  Ni  Ni186  1  0.860053  0.733557  0.650542  1
  Ni  Ni187  1  0.250600  0.982696  0.625595  1
  Ni  Ni188  1  0.730205  0.656833  0.659126  1
  Ni  Ni189  1  0.490602  0.819260  0.643051  1
  Ni  Ni190  1  0.010814  0.139699  0.608914  1
  Ni  Ni191  1  0.389925  0.718941  0.601986  1
  Ni  Ni192  1  0.871166  0.390583  0.633541  1
  Ni  Ni193  1  0.370221  0.407425  0.635256  1
  Ni  Ni194  1  0.853469  0.076334  0.665693  1
  Ni  Ni195  1  0.120514  0.898429  0.634291  1
  Ni  Ni196  1  0.640627  0.221551  0.601141  1
  Ni  Ni197  1  0.511425  0.140115  0.609480  1
  Ni  Ni198  1  0.989398  0.818872  0.642954  1
  Ni  Ni199  1  0.230470  0.660872  0.660170  1
  Ni  Ni200  1  0.750684  0.978201  0.625630  1
  Ni  Ni201  1  0.130321  0.555614  0.617574  1
  Ni  Ni202  1  0.611111  0.234190  0.651879  1
  Ni  Ni203  1  0.110051  0.245895  0.649781  1
  Ni  Ni204  1  0.630909  0.564391  0.617501  1
  Ni  Ni205  1  0.339077  0.425838  0.686284  1
  Ni  Ni206  1  0.826141  0.077101  0.715121  1
  Ni  Ni207  1  0.206336  0.339301  0.692659  1
  Ni  Ni208  1  0.693482  0.013165  0.723849  1
  Ni  Ni209  1  0.455976  0.176832  0.708250  1
  Ni  Ni210  1  0.970039  0.498938  0.675495  1
  Ni  Ni211  1  0.349285  0.083103  0.668601  1
  Ni  Ni212  1  0.830910  0.738029  0.701527  1
  Ni  Ni213  1  0.326440  0.784495  0.700510  1
  Ni  Ni214  1  0.815856  0.421475  0.730986  1
  Ni  Ni215  1  0.077157  0.255146  0.700096  1
  Ni  Ni216  1  0.601739  0.577745  0.667857  1
  Ni  Ni217  1  0.470312  0.500429  0.675999  1
  Ni  Ni218  1  0.948025  0.180246  0.707559  1
  Ni  Ni219  1  0.194300  0.025255  0.723615  1
  Ni  Ni220  1  0.712583  0.330031  0.693219  1
  Ni  Ni221  1  0.091776  0.907090  0.684702  1
  Ni  Ni222  1  0.567740  0.604735  0.716843  1
  Ni  Ni223  1  0.075804  0.600202  0.716197  1
  Ni  Ni224  1  0.590573  0.922828  0.685459  1
