# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.04717751
_cell_length_b   11.04367239
_cell_length_c   48.00288058
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al63 Ni189'
_cell_volume   5827.0634087
_cell_formula_units_Z   63
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  0.984299  0.320839  0.263861  1
  Al  Al2  1  0.316748  0.980671  0.264320  1
  Al  Al3  1  0.285369  0.281750  0.283748  1
  Al  Al4  1  0.646066  0.649698  0.263986  1
  Al  Al5  1  0.617006  0.949264  0.283993  1
  Al  Al6  1  0.586674  0.254660  0.304900  1
  Al  Al7  1  0.953083  0.618657  0.284206  1
  Al  Al8  1  0.919820  0.921666  0.305032  1
  Al  Al9  1  0.251908  0.593085  0.307849  1
  Al  Al10  1  0.892324  0.226474  0.328986  1
  Al  Al11  1  0.225531  0.892257  0.329644  1
  Al  Al12  1  0.193630  0.193732  0.350179  1
  Al  Al13  1  0.557457  0.559060  0.328993  1
  Al  Al14  1  0.526934  0.861322  0.350582  1
  Al  Al15  1  0.496846  0.163236  0.372396  1
  Al  Al16  1  0.859555  0.527096  0.350177  1
  Al  Al17  1  0.829115  0.831007  0.372409  1
  Al  Al18  1  0.163551  0.496882  0.372355  1
  Al  Al19  1  0.798051  0.132565  0.394748  1
  Al  Al20  1  0.130947  0.800103  0.395273  1
  Al  Al21  1  0.100722  0.101737  0.417981  1
  Al  Al22  1  0.465404  0.465132  0.395139  1
  Al  Al23  1  0.434486  0.768373  0.418188  1
  Al  Al24  1  0.403094  0.070498  0.440456  1
  Al  Al25  1  0.767367  0.434669  0.417823  1
  Al  Al26  1  0.736137  0.737103  0.440303  1
  Al  Al27  1  0.069584  0.403518  0.440212  1
  Al  Al28  1  0.704854  0.039250  0.462752  1
  Al  Al29  1  0.038122  0.705670  0.462625  1
  Al  Al30  1  0.006630  0.007994  0.485108  1
  Al  Al31  1  0.371773  0.372192  0.462766  1
  Al  Al32  1  0.340498  0.674084  0.485194  1
  Al  Al33  1  0.309259  0.976480  0.507720  1
  Al  Al34  1  0.673682  0.341050  0.485201  1
  Al  Al35  1  0.642581  0.642888  0.507687  1
  Al  Al36  1  0.975375  0.310134  0.507588  1
  Al  Al37  1  0.611442  0.945249  0.530330  1
  Al  Al38  1  0.944413  0.612023  0.530139  1
  Al  Al39  1  0.913159  0.913843  0.552583  1
  Al  Al40  1  0.278061  0.278900  0.530319  1
  Al  Al41  1  0.246575  0.580762  0.552667  1
  Al  Al42  1  0.214950  0.882348  0.574815  1
  Al  Al43  1  0.580163  0.247361  0.552887  1
  Al  Al44  1  0.549302  0.549456  0.575279  1
  Al  Al45  1  0.881757  0.216006  0.575016  1
  Al  Al46  1  0.518074  0.850507  0.597532  1
  Al  Al47  1  0.849864  0.518842  0.597586  1
  Al  Al48  1  0.820749  0.820529  0.620881  1
  Al  Al49  1  0.183236  0.185044  0.596929  1
  Al  Al50  1  0.153100  0.488117  0.620667  1
  Al  Al51  1  0.122149  0.789517  0.642841  1
  Al  Al52  1  0.487390  0.153792  0.620857  1
  Al  Al53  1  0.456859  0.458064  0.643346  1
  Al  Al54  1  0.789754  0.122116  0.643053  1
  Al  Al55  1  0.425147  0.760491  0.663695  1
  Al  Al56  1  0.760201  0.425742  0.664616  1
  Al  Al57  1  0.726029  0.732045  0.686657  1
  Al  Al58  1  0.092427  0.093590  0.663807  1
  Al  Al59  1  0.060550  0.393623  0.683762  1
  Al  Al60  1  0.037134  0.698978  0.708864  1
  Al  Al61  1  0.392220  0.064199  0.682950  1
  Al  Al62  1  0.367084  0.366281  0.708717  1
  Al  Al63  1  0.698091  0.028976  0.709179  1
  Ni  Ni64  1  0.089584  0.256522  0.306556  1
  Ni  Ni65  1  0.421283  0.920772  0.307005  1
  Ni  Ni66  1  0.390650  0.225388  0.327988  1
  Ni  Ni67  1  0.753560  0.589821  0.306825  1
  Ni  Ni68  1  0.723403  0.892673  0.327754  1
  Ni  Ni69  1  0.789386  0.289964  0.286206  1
  Ni  Ni70  1  0.056186  0.560290  0.328295  1
  Ni  Ni71  1  0.122914  0.955579  0.287136  1
  Ni  Ni72  1  0.450016  0.622134  0.286588  1
  Ni  Ni73  1  0.121315  0.450950  0.286871  1
  Ni  Ni74  1  0.446887  0.111227  0.288229  1
  Ni  Ni75  1  0.420493  0.422801  0.307445  1
  Ni  Ni76  1  0.779688  0.778472  0.287829  1
  Ni  Ni77  1  0.755878  0.089882  0.306677  1
  Ni  Ni78  1  0.809490  0.479401  0.267730  1
  Ni  Ni79  1  0.088226  0.758867  0.307528  1
  Ni  Ni80  1  0.056323  0.056795  0.328803  1
  Ni  Ni81  1  0.390337  0.724898  0.329559  1
  Ni  Ni82  1  0.925397  0.422311  0.306721  1
  Ni  Ni83  1  0.254673  0.087268  0.306817  1
  Ni  Ni84  1  0.320484  0.486137  0.267714  1
  Ni  Ni85  1  0.586388  0.755405  0.306844  1
  Ni  Ni86  1  0.560432  0.056944  0.327872  1
  Ni  Ni87  1  0.618566  0.456136  0.285993  1
  Ni  Ni88  1  0.892439  0.724966  0.328119  1
  Ni  Ni89  1  0.958665  0.123640  0.286757  1
  Ni  Ni90  1  0.288989  0.788018  0.287159  1
  Ni  Ni91  1  0.996524  0.163586  0.373159  1
  Ni  Ni92  1  0.330099  0.830753  0.373758  1
  Ni  Ni93  1  0.298894  0.132684  0.395396  1
  Ni  Ni94  1  0.663012  0.496396  0.373076  1
  Ni  Ni95  1  0.631985  0.799872  0.395498  1
  Ni  Ni96  1  0.693268  0.194205  0.349491  1
  Ni  Ni97  1  0.965372  0.465844  0.395200  1
  Ni  Ni98  1  0.025478  0.861852  0.350021  1
  Ni  Ni99  1  0.360732  0.527177  0.350708  1
  Ni  Ni100  1  0.028262  0.361142  0.350655  1
  Ni  Ni101  1  0.361472  0.028247  0.350417  1
  Ni  Ni102  1  0.329679  0.329401  0.372707  1
  Ni  Ni103  1  0.693388  0.695143  0.350625  1
  Ni  Ni104  1  0.662809  0.996964  0.372711  1
  Ni  Ni105  1  0.723535  0.391283  0.327698  1
  Ni  Ni106  1  0.995100  0.663345  0.373065  1
  Ni  Ni107  1  0.964666  0.966624  0.394979  1
  Ni  Ni108  1  0.298509  0.632757  0.395407  1
  Ni  Ni109  1  0.829028  0.330668  0.372985  1
  Ni  Ni110  1  0.162728  0.997626  0.373416  1
  Ni  Ni111  1  0.226277  0.390825  0.327492  1
  Ni  Ni112  1  0.496456  0.663897  0.373530  1
  Ni  Ni113  1  0.465574  0.966361  0.395567  1
  Ni  Ni114  1  0.527866  0.359730  0.349933  1
  Ni  Ni115  1  0.798303  0.632732  0.395295  1
  Ni  Ni116  1  0.859294  0.027543  0.349589  1
  Ni  Ni117  1  0.191612  0.696153  0.351095  1
  Ni  Ni118  1  0.902369  0.070499  0.440005  1
  Ni  Ni119  1  0.236061  0.736949  0.440215  1
  Ni  Ni120  1  0.204933  0.039285  0.462881  1
  Ni  Ni121  1  0.569592  0.403171  0.440158  1
  Ni  Ni122  1  0.538570  0.705503  0.462871  1
  Ni  Ni123  1  0.600795  0.101655  0.417673  1
  Ni  Ni124  1  0.871597  0.372546  0.462620  1
  Ni  Ni125  1  0.933430  0.768734  0.417637  1
  Ni  Ni126  1  0.267549  0.434542  0.417621  1
  Ni  Ni127  1  0.933823  0.268060  0.417654  1
  Ni  Ni128  1  0.267217  0.934852  0.418204  1
  Ni  Ni129  1  0.236337  0.236930  0.440442  1
  Ni  Ni130  1  0.600782  0.601194  0.417882  1
  Ni  Ni131  1  0.569576  0.903798  0.440572  1
  Ni  Ni132  1  0.632062  0.298986  0.394908  1
  Ni  Ni133  1  0.903069  0.570493  0.440058  1
  Ni  Ni134  1  0.871399  0.872574  0.462681  1
  Ni  Ni135  1  0.205228  0.539073  0.462511  1
  Ni  Ni136  1  0.736063  0.236760  0.440045  1
  Ni  Ni137  1  0.068918  0.903863  0.440209  1
  Ni  Ni138  1  0.132455  0.299105  0.395295  1
  Ni  Ni139  1  0.403081  0.569910  0.440159  1
  Ni  Ni140  1  0.371807  0.872433  0.462947  1
  Ni  Ni141  1  0.434366  0.267730  0.417652  1
  Ni  Ni142  1  0.705143  0.538991  0.462681  1
  Ni  Ni143  1  0.767297  0.935154  0.417654  1
  Ni  Ni144  1  0.100861  0.601412  0.417564  1
  Ni  Ni145  1  0.808919  0.976703  0.507702  1
  Ni  Ni146  1  0.142446  0.642943  0.507587  1
  Ni  Ni147  1  0.110963  0.945186  0.529909  1
  Ni  Ni148  1  0.475908  0.309881  0.507892  1
  Ni  Ni149  1  0.444747  0.611403  0.530213  1
  Ni  Ni150  1  0.507195  0.008009  0.485454  1
  Ni  Ni151  1  0.777587  0.278610  0.530173  1
  Ni  Ni152  1  0.840409  0.674414  0.485152  1
  Ni  Ni153  1  0.173687  0.341397  0.485304  1
  Ni  Ni154  1  0.840259  0.174781  0.484988  1
  Ni  Ni155  1  0.173766  0.841219  0.484996  1
  Ni  Ni156  1  0.142336  0.143425  0.507660  1
  Ni  Ni157  1  0.507304  0.507637  0.485091  1
  Ni  Ni158  1  0.475988  0.809617  0.507772  1
  Ni  Ni159  1  0.538367  0.205758  0.462831  1
  Ni  Ni160  1  0.809094  0.476639  0.507569  1
  Ni  Ni161  1  0.777888  0.778481  0.530198  1
  Ni  Ni162  1  0.110780  0.445268  0.530374  1
  Ni  Ni163  1  0.642385  0.143258  0.507848  1
  Ni  Ni164  1  0.975692  0.809862  0.507571  1
  Ni  Ni165  1  0.038110  0.205953  0.462736  1
  Ni  Ni166  1  0.309203  0.476415  0.507761  1
  Ni  Ni167  1  0.277918  0.778320  0.530003  1
  Ni  Ni168  1  0.340573  0.174570  0.485439  1
  Ni  Ni169  1  0.611172  0.445094  0.530268  1
  Ni  Ni170  1  0.673788  0.841164  0.485324  1
  Ni  Ni171  1  0.007160  0.507860  0.485147  1
  Ni  Ni172  1  0.716059  0.882423  0.575376  1
  Ni  Ni173  1  0.048411  0.550006  0.575301  1
  Ni  Ni174  1  0.017316  0.851120  0.597647  1
  Ni  Ni175  1  0.382587  0.216099  0.575494  1
  Ni  Ni176  1  0.351149  0.518773  0.597937  1
  Ni  Ni177  1  0.413472  0.913440  0.552636  1
  Ni  Ni178  1  0.684514  0.184446  0.597955  1
  Ni  Ni179  1  0.746618  0.580699  0.552593  1
  Ni  Ni180  1  0.079407  0.247651  0.552304  1
  Ni  Ni181  1  0.746413  0.080329  0.552904  1
  Ni  Ni182  1  0.079784  0.747243  0.552464  1
  Ni  Ni183  1  0.048252  0.049293  0.574693  1
  Ni  Ni184  1  0.413254  0.413870  0.553100  1
  Ni  Ni185  1  0.382149  0.715622  0.575067  1
  Ni  Ni186  1  0.444422  0.111646  0.530626  1
  Ni  Ni187  1  0.715096  0.382494  0.575428  1
  Ni  Ni188  1  0.684824  0.685388  0.597801  1
  Ni  Ni189  1  0.017301  0.352675  0.597095  1
  Ni  Ni190  1  0.548979  0.049274  0.575507  1
  Ni  Ni191  1  0.882080  0.716437  0.575287  1
  Ni  Ni192  1  0.943960  0.112025  0.530007  1
  Ni  Ni193  1  0.215301  0.383633  0.575319  1
  Ni  Ni194  1  0.183615  0.684867  0.597681  1
  Ni  Ni195  1  0.246545  0.080460  0.552444  1
  Ni  Ni196  1  0.517987  0.351845  0.598117  1
  Ni  Ni197  1  0.580335  0.747029  0.552579  1
  Ni  Ni198  1  0.912527  0.414315  0.552556  1
  Ni  Ni199  1  0.622690  0.789562  0.642574  1
  Ni  Ni200  1  0.953927  0.456542  0.641487  1
  Ni  Ni201  1  0.926724  0.759359  0.665633  1
  Ni  Ni202  1  0.286850  0.124184  0.640756  1
  Ni  Ni203  1  0.260662  0.426234  0.664910  1
  Ni  Ni204  1  0.319009  0.820063  0.619508  1
  Ni  Ni205  1  0.594487  0.091647  0.665371  1
  Ni  Ni206  1  0.653355  0.487658  0.620451  1
  Ni  Ni207  1  0.985655  0.153582  0.619745  1
  Ni  Ni208  1  0.654188  0.986839  0.620203  1
  Ni  Ni209  1  0.986061  0.653978  0.620425  1
  Ni  Ni210  1  0.956876  0.955705  0.642963  1
  Ni  Ni211  1  0.320642  0.321761  0.620001  1
  Ni  Ni212  1  0.289076  0.624155  0.642670  1
  Ni  Ni213  1  0.351266  0.018232  0.597172  1
  Ni  Ni214  1  0.623831  0.289957  0.642738  1
  Ni  Ni215  1  0.590375  0.591542  0.666475  1
  Ni  Ni216  1  0.922308  0.255278  0.665584  1
  Ni  Ni217  1  0.456991  0.954622  0.641394  1
  Ni  Ni218  1  0.787491  0.623820  0.642801  1
  Ni  Ni219  1  0.851164  0.017727  0.597803  1
  Ni  Ni220  1  0.121499  0.288830  0.641088  1
  Ni  Ni221  1  0.093474  0.594403  0.665268  1
  Ni  Ni222  1  0.151998  0.986785  0.619430  1
  Ni  Ni223  1  0.427026  0.262149  0.664970  1
  Ni  Ni224  1  0.487426  0.653434  0.620119  1
  Ni  Ni225  1  0.819922  0.319741  0.620060  1
  Ni  Ni226  1  0.526602  0.702763  0.706798  1
  Ni  Ni227  1  0.867700  0.365203  0.707477  1
  Ni  Ni228  1  0.841601  0.655060  0.725978  1
  Ni  Ni229  1  0.200182  0.033065  0.706112  1
  Ni  Ni230  1  0.164030  0.330308  0.725500  1
  Ni  Ni231  1  0.231255  0.729239  0.686730  1
  Ni  Ni232  1  0.487326  1.004581  0.725030  1
  Ni  Ni233  1  0.565850  0.391567  0.686916  1
  Ni  Ni234  1  0.898681  0.056446  0.686723  1
  Ni  Ni235  1  0.559097  0.898165  0.685418  1
  Ni  Ni236  1  0.897581  0.563553  0.685113  1
  Ni  Ni237  1  0.869908  0.863560  0.706166  1
  Ni  Ni238  1  0.229095  0.230862  0.684703  1
  Ni  Ni239  1  0.196856  0.527668  0.706330  1
  Ni  Ni240  1  0.257194  0.925864  0.663425  1
  Ni  Ni241  1  0.528720  0.195001  0.706526  1
  Ni  Ni242  1  0.509415  0.512273  0.723802  1
  Ni  Ni243  1  0.843889  0.172883  0.724087  1
  Ni  Ni244  1  0.361470  0.870537  0.705698  1
  Ni  Ni245  1  0.701194  0.532495  0.707418  1
  Ni  Ni246  1  0.759137  0.926786  0.665191  1
  Ni  Ni247  1  0.033868  0.198126  0.707032  1
  Ni  Ni248  1  1.001095  0.495458  0.725634  1
  Ni  Ni249  1  0.063456  0.897416  0.686880  1
  Ni  Ni250  1  0.327926  0.164791  0.725231  1
  Ni  Ni251  1  0.390281  0.567152  0.686752  1
  Ni  Ni252  1  0.725238  0.229040  0.686972  1
