# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.22451576
_cell_length_b   11.22342922
_cell_length_c   48.53055500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al63 Ni189'
_cell_volume   6083.11520506
_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  0.064918  0.398589  0.321661  1
  Al  Al2  1  0.398251  0.065256  0.321661  1
  Al  Al3  1  0.456861  0.457208  0.274856  1
  Al  Al4  1  0.731585  0.731923  0.321661  1
  Al  Al5  1  0.790195  0.123875  0.274856  1
  Al  Al6  1  0.760410  0.427413  0.296489  1
  Al  Al7  1  0.123528  0.790542  0.274856  1
  Al  Al8  1  0.093743  0.094080  0.296489  1
  Al  Al9  1  0.427076  0.760746  0.296489  1
  Al  Al10  1  0.972926  0.306584  0.387169  1
  Al  Al11  1  0.306259  0.973251  0.387169  1
  Al  Al12  1  0.367418  0.367750  0.343182  1
  Al  Al13  1  0.639593  0.639918  0.387169  1
  Al  Al14  1  0.700751  0.034416  0.343182  1
  Al  Al15  1  0.670371  0.337366  0.365081  1
  Al  Al16  1  0.034084  0.701083  0.343182  1
  Al  Al17  1  0.003704  0.004033  0.365081  1
  Al  Al18  1  0.337037  0.670700  0.365081  1
  Al  Al19  1  0.881552  0.215201  0.454182  1
  Al  Al20  1  0.214885  0.881867  0.454182  1
  Al  Al21  1  0.275915  0.276238  0.409755  1
  Al  Al22  1  0.548218  0.548534  0.454182  1
  Al  Al23  1  0.609248  0.942904  0.409755  1
  Al  Al24  1  0.578776  0.245762  0.431976  1
  Al  Al25  1  0.942581  0.609571  0.409755  1
  Al  Al26  1  0.912109  0.912428  0.431976  1
  Al  Al27  1  0.245442  0.579095  0.431976  1
  Al  Al28  1  0.789992  0.123632  0.521026  1
  Al  Al29  1  0.123326  0.790298  0.521026  1
  Al  Al30  1  0.184297  0.184609  0.476407  1
  Al  Al31  1  0.456659  0.456965  0.521026  1
  Al  Al32  1  0.517630  0.851276  0.476407  1
  Al  Al33  1  0.487145  0.154120  0.498716  1
  Al  Al34  1  0.850964  0.517943  0.476407  1
  Al  Al35  1  0.820478  0.820787  0.498716  1
  Al  Al36  1  0.153811  0.487454  0.498716  1
  Al  Al37  1  0.698375  0.032003  0.587677  1
  Al  Al38  1  0.031708  0.698670  0.587677  1
  Al  Al39  1  0.092738  0.093040  0.543250  1
  Al  Al40  1  0.365041  0.365337  0.587677  1
  Al  Al41  1  0.426071  0.759707  0.543250  1
  Al  Al42  1  0.395514  0.062479  0.565456  1
  Al  Al43  1  0.759404  0.426374  0.543250  1
  Al  Al44  1  0.728847  0.729146  0.565456  1
  Al  Al45  1  0.062180  0.395813  0.565456  1
  Al  Al46  1  0.606872  0.940491  0.654251  1
  Al  Al47  1  0.940205  0.607158  0.654251  1
  Al  Al48  1  1.001363  1.001656  0.610264  1
  Al  Al49  1  0.273538  0.273825  0.654251  1
  Al  Al50  1  0.334696  0.668323  0.610264  1
  Al  Al51  1  0.303919  0.970874  0.632352  1
  Al  Al52  1  0.668030  0.334990  0.610264  1
  Al  Al53  1  0.637252  0.637541  0.632352  1
  Al  Al54  1  0.970585  0.304208  0.632352  1
  Al  Al55  1  0.517428  0.851032  0.722576  1
  Al  Al56  1  0.850761  0.517699  0.722576  1
  Al  Al57  1  0.909371  0.909652  0.675772  1
  Al  Al58  1  0.184095  0.184366  0.722576  1
  Al  Al59  1  0.242705  0.576318  0.675772  1
  Al  Al60  1  0.213879  0.880828  0.700944  1
  Al  Al61  1  0.576038  0.242985  0.675772  1
  Al  Al62  1  0.547213  0.547495  0.700944  1
  Al  Al63  1  0.880546  0.214161  0.700944  1
  Ni  Ni64  1  0.962055  0.461520  0.278318  1
  Ni  Ni65  1  0.295388  0.128186  0.278318  1
  Ni  Ni66  1  0.260560  0.426525  0.298444  1
  Ni  Ni67  1  0.628721  0.794853  0.278318  1
  Ni  Ni68  1  0.593894  0.093192  0.298444  1
  Ni  Ni69  1  0.563602  0.399005  0.320876  1
  Ni  Ni70  1  0.927227  0.759859  0.298444  1
  Ni  Ni71  1  0.896935  0.065672  0.320876  1
  Ni  Ni72  1  0.230268  0.732339  0.320876  1
  Ni  Ni73  1  0.127836  0.295738  0.278318  1
  Ni  Ni74  1  0.461169  0.962405  0.278318  1
  Ni  Ni75  1  0.426192  0.260896  0.298444  1
  Ni  Ni76  1  0.794502  0.629072  0.278318  1
  Ni  Ni77  1  0.759525  0.927563  0.298444  1
  Ni  Ni78  1  0.732001  0.230606  0.320875  1
  Ni  Ni79  1  0.092859  0.594229  0.298444  1
  Ni  Ni80  1  0.065334  0.897272  0.320875  1
  Ni  Ni81  1  0.398668  0.563939  0.320875  1
  Ni  Ni82  1  0.927959  0.261629  0.297898  1
  Ni  Ni83  1  0.261292  0.928295  0.297898  1
  Ni  Ni84  1  0.230426  0.230764  0.321511  1
  Ni  Ni85  1  0.594626  0.594962  0.297898  1
  Ni  Ni86  1  0.563759  0.897430  0.321511  1
  Ni  Ni87  1  0.620367  0.287381  0.278946  1
  Ni  Ni88  1  0.897092  0.564097  0.321511  1
  Ni  Ni89  1  0.953700  0.954048  0.278946  1
  Ni  Ni90  1  0.287034  0.620715  0.278946  1
  Ni  Ni91  1  0.866674  0.367438  0.342227  1
  Ni  Ni92  1  0.200007  0.034105  0.342227  1
  Ni  Ni93  1  0.170377  0.337393  0.365426  1
  Ni  Ni94  1  0.533340  0.700771  0.342227  1
  Ni  Ni95  1  0.503710  0.004060  0.365426  1
  Ni  Ni96  1  0.473360  0.306727  0.387456  1
  Ni  Ni97  1  0.837043  0.670726  0.365426  1
  Ni  Ni98  1  0.806694  0.973394  0.387456  1
  Ni  Ni99  1  0.140027  0.640060  0.387456  1
  Ni  Ni100  1  0.033774  0.200338  0.342226  1
  Ni  Ni101  1  0.367108  0.867005  0.342226  1
  Ni  Ni102  1  0.337062  0.170707  0.365426  1
  Ni  Ni103  1  0.700441  0.533671  0.342226  1
  Ni  Ni104  1  0.670395  0.837374  0.365426  1
  Ni  Ni105  1  0.639735  0.140353  0.387456  1
  Ni  Ni106  1  0.003729  0.504040  0.365426  1
  Ni  Ni107  1  0.973068  0.807019  0.387456  1
  Ni  Ni108  1  0.306401  0.473686  0.387456  1
  Ni  Ni109  1  0.837166  0.170829  0.365212  1
  Ni  Ni110  1  0.170499  0.837495  0.365212  1
  Ni  Ni111  1  0.139602  0.139927  0.387138  1
  Ni  Ni112  1  0.503832  0.504162  0.365212  1
  Ni  Ni113  1  0.472935  0.806593  0.387138  1
  Ni  Ni114  1  0.534595  0.201593  0.342645  1
  Ni  Ni115  1  0.806268  0.473260  0.387138  1
  Ni  Ni116  1  0.867928  0.868260  0.342645  1
  Ni  Ni117  1  0.201262  0.534927  0.342645  1
  Ni  Ni118  1  0.775919  0.276334  0.409664  1
  Ni  Ni119  1  0.109253  0.943001  0.409664  1
  Ni  Ni120  1  0.078641  0.245609  0.431821  1
  Ni  Ni121  1  0.442586  0.609667  0.409664  1
  Ni  Ni122  1  0.411974  0.912276  0.431821  1
  Ni  Ni123  1  0.381527  0.215192  0.454224  1
  Ni  Ni124  1  0.745307  0.578943  0.431821  1
  Ni  Ni125  1  0.714860  0.881859  0.454224  1
  Ni  Ni126  1  0.048193  0.548525  0.454224  1
  Ni  Ni127  1  0.942678  0.109575  0.409664  1
  Ni  Ni128  1  0.276011  0.776242  0.409664  1
  Ni  Ni129  1  0.245290  0.078959  0.431821  1
  Ni  Ni130  1  0.609345  0.442908  0.409664  1
  Ni  Ni131  1  0.578624  0.745626  0.431821  1
  Ni  Ni132  1  0.548209  0.048509  0.454224  1
  Ni  Ni133  1  0.911957  0.412293  0.431821  1
  Ni  Ni134  1  0.881543  0.715176  0.454224  1
  Ni  Ni135  1  0.214876  0.381843  0.454224  1
  Ni  Ni136  1  0.745436  0.079089  0.431950  1
  Ni  Ni137  1  0.078770  0.745756  0.431950  1
  Ni  Ni138  1  0.048214  0.048529  0.454193  1
  Ni  Ni139  1  0.412103  0.412422  0.431950  1
  Ni  Ni140  1  0.381547  0.715196  0.454193  1
  Ni  Ni141  1  0.442554  0.109544  0.409792  1
  Ni  Ni142  1  0.714880  0.381863  0.454193  1
  Ni  Ni143  1  0.775887  0.776211  0.409792  1
  Ni  Ni144  1  0.109221  0.442877  0.409792  1
  Ni  Ni145  1  0.684380  0.184675  0.476488  1
  Ni  Ni146  1  0.017713  0.851342  0.476488  1
  Ni  Ni147  1  0.987145  0.154120  0.498716  1
  Ni  Ni148  1  0.351046  0.518008  0.476488  1
  Ni  Ni149  1  0.320478  0.820787  0.498716  1
  Ni  Ni150  1  0.289909  0.123566  0.520944  1
  Ni  Ni151  1  0.653811  0.487454  0.498716  1
  Ni  Ni152  1  0.623243  0.790232  0.520944  1
  Ni  Ni153  1  0.956576  0.456899  0.520944  1
  Ni  Ni154  1  0.851029  0.018026  0.476488  1
  Ni  Ni155  1  0.184363  0.684692  0.476488  1
  Ni  Ni156  1  0.153811  0.987454  0.498716  1
  Ni  Ni157  1  0.517696  0.351359  0.476488  1
  Ni  Ni158  1  0.487145  0.654120  0.498716  1
  Ni  Ni159  1  0.456593  0.956882  0.520944  1
  Ni  Ni160  1  0.820478  0.320787  0.498716  1
  Ni  Ni161  1  0.789927  0.623549  0.520944  1
  Ni  Ni162  1  0.123260  0.290215  0.520944  1
  Ni  Ni163  1  0.653811  0.987454  0.498716  1
  Ni  Ni164  1  0.987145  0.654120  0.498716  1
  Ni  Ni165  1  0.956648  0.956954  0.521032  1
  Ni  Ni166  1  0.320478  0.320787  0.498716  1
  Ni  Ni167  1  0.289982  0.623621  0.521032  1
  Ni  Ni168  1  0.350974  0.017953  0.476401  1
  Ni  Ni169  1  0.623315  0.290288  0.521032  1
  Ni  Ni170  1  0.684307  0.684620  0.476401  1
  Ni  Ni171  1  0.017641  0.351286  0.476401  1
  Ni  Ni172  1  0.592763  0.093049  0.543209  1
  Ni  Ni173  1  0.926096  0.759715  0.543209  1
  Ni  Ni174  1  0.895649  0.062632  0.565612  1
  Ni  Ni175  1  0.259429  0.426382  0.543209  1
  Ni  Ni176  1  0.228982  0.729298  0.565612  1
  Ni  Ni177  1  0.198370  0.031907  0.587769  1
  Ni  Ni178  1  0.562315  0.395965  0.565612  1
  Ni  Ni179  1  0.531703  0.698574  0.587769  1
  Ni  Ni180  1  0.865037  0.365240  0.587769  1
  Ni  Ni181  1  0.759413  0.926398  0.543209  1
  Ni  Ni182  1  0.092747  0.593065  0.543209  1
  Ni  Ni183  1  0.062332  0.895948  0.565612  1
  Ni  Ni184  1  0.426080  0.259731  0.543209  1
  Ni  Ni185  1  0.395665  0.562615  0.565612  1
  Ni  Ni186  1  0.364945  0.865333  0.587769  1
  Ni  Ni187  1  0.728999  0.229281  0.565612  1
  Ni  Ni188  1  0.698278  0.531999  0.587769  1
  Ni  Ni189  1  0.031611  0.198666  0.587769  1
  Ni  Ni190  1  0.562186  0.895819  0.565482  1
  Ni  Ni191  1  0.895520  0.562485  0.565482  1
  Ni  Ni192  1  0.865069  0.865364  0.587640  1
  Ni  Ni193  1  0.228853  0.229152  0.565482  1
  Ni  Ni194  1  0.198402  0.532030  0.587640  1
  Ni  Ni195  1  0.259409  0.926378  0.543240  1
  Ni  Ni196  1  0.531735  0.198697  0.587640  1
  Ni  Ni197  1  0.592742  0.593045  0.543240  1
  Ni  Ni198  1  0.926076  0.259711  0.543240  1
  Ni  Ni199  1  0.500929  1.001514  0.609977  1
  Ni  Ni200  1  0.834262  0.668181  0.609977  1
  Ni  Ni201  1  0.803913  0.970848  0.632006  1
  Ni  Ni202  1  0.167596  0.334847  0.609977  1
  Ni  Ni203  1  0.137246  0.637515  0.632006  1
  Ni  Ni204  1  0.107615  0.940803  0.655206  1
  Ni  Ni205  1  0.470579  0.304181  0.632006  1
  Ni  Ni206  1  0.440949  0.607470  0.655206  1
  Ni  Ni207  1  0.774282  0.274136  0.655206  1
  Ni  Ni208  1  0.667888  0.834555  0.609977  1
  Ni  Ni209  1  1.001221  0.501221  0.609977  1
  Ni  Ni210  1  0.970561  0.804201  0.632006  1
  Ni  Ni211  1  0.334555  0.167888  0.609977  1
  Ni  Ni212  1  0.303894  0.470867  0.632006  1
  Ni  Ni213  1  0.273848  0.774570  0.655206  1
  Ni  Ni214  1  0.637227  0.137534  0.632006  1
  Ni  Ni215  1  0.607182  0.441236  0.655206  1
  Ni  Ni216  1  0.940515  0.107903  0.655206  1
  Ni  Ni217  1  0.470457  0.804079  0.632221  1
  Ni  Ni218  1  0.803790  0.470746  0.632221  1
  Ni  Ni219  1  0.773028  0.773314  0.654787  1
  Ni  Ni220  1  0.137124  0.137412  0.632221  1
  Ni  Ni221  1  0.106361  0.439981  0.654787  1
  Ni  Ni222  1  0.168021  0.834981  0.610294  1
  Ni  Ni223  1  0.439694  0.106648  0.654787  1
  Ni  Ni224  1  0.501354  0.501648  0.610294  1
  Ni  Ni225  1  0.834688  0.168314  0.610294  1
  Ni  Ni226  1  0.410688  0.909235  0.676557  1
  Ni  Ni227  1  0.744021  0.575902  0.676557  1
  Ni  Ni228  1  0.713729  0.881716  0.698989  1
  Ni  Ni229  1  0.077354  0.242569  0.676557  1
  Ni  Ni230  1  0.047062  0.548382  0.698989  1
  Ni  Ni231  1  0.012234  0.846721  0.719114  1
  Ni  Ni232  1  0.380396  0.215049  0.698989  1
  Ni  Ni233  1  0.345568  0.513388  0.719114  1
  Ni  Ni234  1  0.678901  0.180055  0.719114  1
  Ni  Ni235  1  0.575622  0.744302  0.676557  1
  Ni  Ni236  1  0.908955  0.410969  0.676557  1
  Ni  Ni237  1  0.881430  0.714012  0.698989  1
  Ni  Ni238  1  0.242288  0.077635  0.676557  1
  Ni  Ni239  1  0.214764  0.380678  0.698989  1
  Ni  Ni240  1  0.179787  0.679169  0.719115  1
  Ni  Ni241  1  0.548097  0.047345  0.698989  1
  Ni  Ni242  1  0.513120  0.345836  0.719115  1
  Ni  Ni243  1  0.846454  0.012503  0.719115  1
  Ni  Ni244  1  0.379664  0.713279  0.699535  1
  Ni  Ni245  1  0.712997  0.379946  0.699535  1
  Ni  Ni246  1  0.687256  0.687526  0.718486  1
  Ni  Ni247  1  0.046330  0.046612  0.699535  1
  Ni  Ni248  1  0.020589  0.354193  0.718486  1
  Ni  Ni249  1  0.077197  0.744144  0.675922  1
  Ni  Ni250  1  0.353922  0.020859  0.718486  1
  Ni  Ni251  1  0.410530  0.410811  0.675922  1
  Ni  Ni252  1  0.743864  0.077477  0.675922  1
