# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.48641908
_cell_length_b   12.46657107
_cell_length_c   50.53001594
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al80 Ni240'
_cell_volume   7706.72701865
_cell_formula_units_Z   80
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  0.086809  0.088600  0.336403  1
  Al  Al2  1  0.586809  0.588600  0.336403  1
  Al  Al3  1  0.650204  0.152059  0.291947  1
  Al  Al4  1  0.150204  0.652059  0.291947  1
  Al  Al5  1  0.900204  0.902059  0.291947  1
  Al  Al6  1  0.400204  0.402059  0.291947  1
  Al  Al7  1  0.336809  0.838600  0.336403  1
  Al  Al8  1  0.836809  0.338600  0.336403  1
  Al  Al9  1  0.023959  0.775750  0.350780  1
  Al  Al10  1  0.523959  0.275750  0.350780  1
  Al  Al11  1  0.586049  0.837876  0.307213  1
  Al  Al12  1  0.086049  0.337876  0.307213  1
  Al  Al13  1  0.773959  0.025750  0.350780  1
  Al  Al14  1  0.273959  0.525750  0.350780  1
  Al  Al15  1  0.336049  0.087876  0.307213  1
  Al  Al16  1  0.836049  0.587876  0.307213  1
  Al  Al17  1  0.961413  0.963121  0.424310  1
  Al  Al18  1  0.461413  0.463121  0.424310  1
  Al  Al19  1  0.524875  0.026630  0.378537  1
  Al  Al20  1  0.024875  0.526630  0.378537  1
  Al  Al21  1  0.774875  0.776630  0.378537  1
  Al  Al22  1  0.274875  0.276630  0.378537  1
  Al  Al23  1  0.211413  0.713121  0.424310  1
  Al  Al24  1  0.711413  0.213121  0.424310  1
  Al  Al25  1  0.898214  0.649933  0.440367  1
  Al  Al26  1  0.398214  0.149933  0.440367  1
  Al  Al27  1  0.461369  0.713113  0.395249  1
  Al  Al28  1  0.961369  0.213113  0.395249  1
  Al  Al29  1  0.648214  0.899933  0.440367  1
  Al  Al30  1  0.148214  0.399933  0.440367  1
  Al  Al31  1  0.211369  0.963113  0.395249  1
  Al  Al32  1  0.711369  0.463113  0.395249  1
  Al  Al33  1  0.836297  0.837958  0.514087  1
  Al  Al34  1  0.336297  0.337958  0.514087  1
  Al  Al35  1  0.399014  0.900705  0.469032  1
  Al  Al36  1  0.899014  0.400705  0.469032  1
  Al  Al37  1  0.649014  0.650705  0.469032  1
  Al  Al38  1  0.149014  0.150705  0.469032  1
  Al  Al39  1  0.086297  0.587958  0.514087  1
  Al  Al40  1  0.586297  0.087958  0.514087  1
  Al  Al41  1  0.773056  0.524717  0.530612  1
  Al  Al42  1  0.273056  0.024717  0.530612  1
  Al  Al43  1  0.335773  0.587464  0.485558  1
  Al  Al44  1  0.835773  0.087464  0.485558  1
  Al  Al45  1  0.523056  0.774717  0.530612  1
  Al  Al46  1  0.023056  0.274717  0.530612  1
  Al  Al47  1  0.085773  0.837464  0.485558  1
  Al  Al48  1  0.585773  0.337464  0.485558  1
  Al  Al49  1  0.710702  0.712309  0.604395  1
  Al  Al50  1  0.210702  0.212309  0.604395  1
  Al  Al51  1  0.273856  0.775489  0.559277  1
  Al  Al52  1  0.773856  0.275489  0.559277  1
  Al  Al53  1  0.523856  0.525489  0.559277  1
  Al  Al54  1  0.023856  0.025489  0.559277  1
  Al  Al55  1  0.960702  0.462309  0.604395  1
  Al  Al56  1  0.460702  0.962309  0.604395  1
  Al  Al57  1  0.647195  0.398792  0.621107  1
  Al  Al58  1  0.147195  0.898792  0.621107  1
  Al  Al59  1  0.210657  0.462301  0.575334  1
  Al  Al60  1  0.710657  0.962301  0.575334  1
  Al  Al61  1  0.397195  0.648792  0.621107  1
  Al  Al62  1  0.897195  0.148792  0.621107  1
  Al  Al63  1  0.960657  0.712301  0.575334  1
  Al  Al64  1  0.460657  0.212301  0.575334  1
  Al  Al65  1  0.586021  0.587546  0.692431  1
  Al  Al66  1  0.086021  0.087546  0.692431  1
  Al  Al67  1  0.148112  0.649672  0.648865  1
  Al  Al68  1  0.648112  0.149672  0.648865  1
  Al  Al69  1  0.398112  0.399672  0.648865  1
  Al  Al70  1  0.898112  0.899672  0.648865  1
  Al  Al71  1  0.836021  0.337546  0.692431  1
  Al  Al72  1  0.336021  0.837546  0.692431  1
  Al  Al73  1  0.521866  0.273363  0.707697  1
  Al  Al74  1  0.021866  0.773363  0.707697  1
  Al  Al75  1  0.085261  0.336822  0.663241  1
  Al  Al76  1  0.585261  0.836822  0.663241  1
  Al  Al77  1  0.271866  0.523363  0.707697  1
  Al  Al78  1  0.771866  0.023363  0.707697  1
  Al  Al79  1  0.835261  0.586822  0.663241  1
  Al  Al80  1  0.335261  0.086822  0.663241  1
  Ni  Ni81  1  0.212528  0.214327  0.334877  1
  Ni  Ni82  1  0.712528  0.714327  0.334877  1
  Ni  Ni83  1  0.776202  0.278048  0.294695  1
  Ni  Ni84  1  0.276202  0.778048  0.294695  1
  Ni  Ni85  1  0.089851  0.841739  0.307962  1
  Ni  Ni86  1  0.589851  0.341739  0.307962  1
  Ni  Ni87  1  0.526729  0.778612  0.351138  1
  Ni  Ni88  1  0.026729  0.278612  0.351138  1
  Ni  Ni89  1  0.274134  0.276070  0.294514  1
  Ni  Ni90  1  0.774134  0.776070  0.294514  1
  Ni  Ni91  1  0.711506  0.213370  0.334335  1
  Ni  Ni92  1  0.211506  0.713370  0.334335  1
  Ni  Ni93  1  0.026202  0.028048  0.294695  1
  Ni  Ni94  1  0.526202  0.528048  0.294695  1
  Ni  Ni95  1  0.462528  0.964327  0.334877  1
  Ni  Ni96  1  0.962528  0.464327  0.334877  1
  Ni  Ni97  1  0.839851  0.091739  0.307962  1
  Ni  Ni98  1  0.339851  0.591739  0.307962  1
  Ni  Ni99  1  0.276729  0.028612  0.351138  1
  Ni  Ni100  1  0.776729  0.528612  0.351138  1
  Ni  Ni101  1  0.961506  0.963370  0.334335  1
  Ni  Ni102  1  0.461506  0.463370  0.334335  1
  Ni  Ni103  1  0.524134  0.026070  0.294514  1
  Ni  Ni104  1  0.024134  0.526070  0.294514  1
  Ni  Ni105  1  0.148773  0.900437  0.350757  1
  Ni  Ni106  1  0.648773  0.400437  0.350757  1
  Ni  Ni107  1  0.712018  0.963812  0.307586  1
  Ni  Ni108  1  0.212018  0.463812  0.307586  1
  Ni  Ni109  1  0.147322  0.149054  0.294373  1
  Ni  Ni110  1  0.647322  0.649054  0.294373  1
  Ni  Ni111  1  0.585559  0.087295  0.333744  1
  Ni  Ni112  1  0.085559  0.587295  0.333744  1
  Ni  Ni113  1  0.209918  0.961741  0.307371  1
  Ni  Ni114  1  0.709918  0.461741  0.307371  1
  Ni  Ni115  1  0.648279  0.900047  0.349393  1
  Ni  Ni116  1  0.148279  0.400047  0.349393  1
  Ni  Ni117  1  0.898773  0.150437  0.350757  1
  Ni  Ni118  1  0.398773  0.650437  0.350757  1
  Ni  Ni119  1  0.462018  0.213812  0.307586  1
  Ni  Ni120  1  0.962018  0.713812  0.307586  1
  Ni  Ni121  1  0.835559  0.837295  0.333744  1
  Ni  Ni122  1  0.335559  0.337295  0.333744  1
  Ni  Ni123  1  0.397322  0.899054  0.294373  1
  Ni  Ni124  1  0.897322  0.399054  0.294373  1
  Ni  Ni125  1  0.959918  0.211741  0.307371  1
  Ni  Ni126  1  0.459918  0.711741  0.307371  1
  Ni  Ni127  1  0.398279  0.150047  0.349393  1
  Ni  Ni128  1  0.898279  0.650047  0.349393  1
  Ni  Ni129  1  0.087700  0.089427  0.424450  1
  Ni  Ni130  1  0.587700  0.589427  0.424450  1
  Ni  Ni131  1  0.650610  0.152369  0.379652  1
  Ni  Ni132  1  0.150610  0.652369  0.379652  1
  Ni  Ni133  1  0.963851  0.715678  0.396310  1
  Ni  Ni134  1  0.463851  0.215678  0.396310  1
  Ni  Ni135  1  0.401333  0.653129  0.441579  1
  Ni  Ni136  1  0.901333  0.153129  0.441579  1
  Ni  Ni137  1  0.149449  0.151299  0.379106  1
  Ni  Ni138  1  0.649449  0.651299  0.379106  1
  Ni  Ni139  1  0.585675  0.087491  0.423361  1
  Ni  Ni140  1  0.085675  0.587491  0.423361  1
  Ni  Ni141  1  0.900610  0.902369  0.379652  1
  Ni  Ni142  1  0.400610  0.402369  0.379652  1
  Ni  Ni143  1  0.337700  0.839427  0.424450  1
  Ni  Ni144  1  0.837700  0.339427  0.424450  1
  Ni  Ni145  1  0.713851  0.965678  0.396310  1
  Ni  Ni146  1  0.213851  0.465678  0.396310  1
  Ni  Ni147  1  0.151333  0.903129  0.441579  1
  Ni  Ni148  1  0.651333  0.403129  0.441579  1
  Ni  Ni149  1  0.835675  0.837491  0.423361  1
  Ni  Ni150  1  0.335675  0.337491  0.423361  1
  Ni  Ni151  1  0.399449  0.901299  0.379106  1
  Ni  Ni152  1  0.899449  0.401299  0.379106  1
  Ni  Ni153  1  0.023827  0.775432  0.441153  1
  Ni  Ni154  1  0.523827  0.275432  0.441153  1
  Ni  Ni155  1  0.587450  0.839122  0.395379  1
  Ni  Ni156  1  0.087450  0.339122  0.395379  1
  Ni  Ni157  1  0.021080  0.022731  0.378634  1
  Ni  Ni158  1  0.521080  0.522731  0.378634  1
  Ni  Ni159  1  0.458815  0.960456  0.422817  1
  Ni  Ni160  1  0.958815  0.460456  0.422817  1
  Ni  Ni161  1  0.085056  0.836780  0.395232  1
  Ni  Ni162  1  0.585056  0.336780  0.395232  1
  Ni  Ni163  1  0.522221  0.773931  0.440010  1
  Ni  Ni164  1  0.022221  0.273931  0.440010  1
  Ni  Ni165  1  0.773827  0.025432  0.441153  1
  Ni  Ni166  1  0.273827  0.525432  0.441153  1
  Ni  Ni167  1  0.337450  0.089122  0.395379  1
  Ni  Ni168  1  0.837450  0.589122  0.395379  1
  Ni  Ni169  1  0.708815  0.710456  0.422817  1
  Ni  Ni170  1  0.208815  0.210456  0.422817  1
  Ni  Ni171  1  0.271080  0.772731  0.378634  1
  Ni  Ni172  1  0.771080  0.272731  0.378634  1
  Ni  Ni173  1  0.835056  0.086780  0.395232  1
  Ni  Ni174  1  0.335056  0.586780  0.395232  1
  Ni  Ni175  1  0.272221  0.023931  0.440010  1
  Ni  Ni176  1  0.772221  0.523931  0.440010  1
  Ni  Ni177  1  0.962604  0.964282  0.514522  1
  Ni  Ni178  1  0.462604  0.464282  0.514522  1
  Ni  Ni179  1  0.525197  0.026897  0.469378  1
  Ni  Ni180  1  0.025197  0.526897  0.469378  1
  Ni  Ni181  1  0.838642  0.590417  0.486531  1
  Ni  Ni182  1  0.338642  0.090417  0.486531  1
  Ni  Ni183  1  0.276039  0.527790  0.531516  1
  Ni  Ni184  1  0.776039  0.027790  0.531516  1
  Ni  Ni185  1  0.023327  0.025118  0.468585  1
  Ni  Ni186  1  0.523327  0.525118  0.468585  1
  Ni  Ni187  1  0.460509  0.962269  0.513499  1
  Ni  Ni188  1  0.960509  0.462269  0.513499  1
  Ni  Ni189  1  0.775197  0.776897  0.469378  1
  Ni  Ni190  1  0.275197  0.276897  0.469378  1
  Ni  Ni191  1  0.212604  0.714282  0.514522  1
  Ni  Ni192  1  0.712604  0.214282  0.514522  1
  Ni  Ni193  1  0.588642  0.840417  0.486531  1
  Ni  Ni194  1  0.088642  0.340417  0.486531  1
  Ni  Ni195  1  0.026039  0.777790  0.531516  1
  Ni  Ni196  1  0.526039  0.277790  0.531516  1
  Ni  Ni197  1  0.710509  0.712269  0.513499  1
  Ni  Ni198  1  0.210509  0.212269  0.513499  1
  Ni  Ni199  1  0.273327  0.775118  0.468585  1
  Ni  Ni200  1  0.773327  0.275118  0.468585  1
  Ni  Ni201  1  0.898744  0.650304  0.531060  1
  Ni  Ni202  1  0.398744  0.150304  0.531060  1
  Ni  Ni203  1  0.461561  0.713153  0.486145  1
  Ni  Ni204  1  0.961561  0.213153  0.486145  1
  Ni  Ni205  1  0.896031  0.897632  0.468128  1
  Ni  Ni206  1  0.396031  0.397632  0.468128  1
  Ni  Ni207  1  0.333429  0.835005  0.513113  1
  Ni  Ni208  1  0.833429  0.335005  0.513113  1
  Ni  Ni209  1  0.959466  0.711140  0.485123  1
  Ni  Ni210  1  0.459466  0.211140  0.485123  1
  Ni  Ni211  1  0.396873  0.648525  0.530267  1
  Ni  Ni212  1  0.896873  0.148525  0.530267  1
  Ni  Ni213  1  0.648744  0.900304  0.531060  1
  Ni  Ni214  1  0.148744  0.400304  0.531060  1
  Ni  Ni215  1  0.211561  0.963153  0.486145  1
  Ni  Ni216  1  0.711561  0.463153  0.486145  1
  Ni  Ni217  1  0.583429  0.585005  0.513113  1
  Ni  Ni218  1  0.083429  0.085005  0.513113  1
  Ni  Ni219  1  0.146031  0.647632  0.468128  1
  Ni  Ni220  1  0.646031  0.147632  0.468128  1
  Ni  Ni221  1  0.709466  0.961140  0.485123  1
  Ni  Ni222  1  0.209466  0.461140  0.485123  1
  Ni  Ni223  1  0.146873  0.898525  0.530267  1
  Ni  Ni224  1  0.646873  0.398525  0.530267  1
  Ni  Ni225  1  0.837014  0.838642  0.604412  1
  Ni  Ni226  1  0.337014  0.338642  0.604412  1
  Ni  Ni227  1  0.399849  0.901491  0.559635  1
  Ni  Ni228  1  0.899849  0.401491  0.559635  1
  Ni  Ni229  1  0.713255  0.464966  0.576828  1
  Ni  Ni230  1  0.213255  0.964966  0.576828  1
  Ni  Ni231  1  0.150990  0.402691  0.621010  1
  Ni  Ni232  1  0.650990  0.902691  0.621010  1
  Ni  Ni233  1  0.898243  0.899990  0.558491  1
  Ni  Ni234  1  0.398243  0.399990  0.558491  1
  Ni  Ni235  1  0.334620  0.836300  0.604266  1
  Ni  Ni236  1  0.834620  0.336300  0.604266  1
  Ni  Ni237  1  0.649849  0.651491  0.559635  1
  Ni  Ni238  1  0.149849  0.151491  0.559635  1
  Ni  Ni239  1  0.087014  0.588642  0.604412  1
  Ni  Ni240  1  0.587014  0.088642  0.604412  1
  Ni  Ni241  1  0.463255  0.714966  0.576828  1
  Ni  Ni242  1  0.963255  0.214966  0.576828  1
  Ni  Ni243  1  0.900990  0.652691  0.621010  1
  Ni  Ni244  1  0.400990  0.152691  0.621010  1
  Ni  Ni245  1  0.584620  0.586300  0.604266  1
  Ni  Ni246  1  0.084620  0.086300  0.604266  1
  Ni  Ni247  1  0.148243  0.649990  0.558491  1
  Ni  Ni248  1  0.648243  0.149990  0.558491  1
  Ni  Ni249  1  0.772621  0.524123  0.620539  1
  Ni  Ni250  1  0.272621  0.024123  0.620539  1
  Ni  Ni251  1  0.336395  0.587931  0.576283  1
  Ni  Ni252  1  0.836395  0.087931  0.576283  1
  Ni  Ni253  1  0.770737  0.772293  0.558065  1
  Ni  Ni254  1  0.270737  0.272293  0.558065  1
  Ni  Ni255  1  0.208219  0.709744  0.603334  1
  Ni  Ni256  1  0.708219  0.209744  0.603334  1
  Ni  Ni257  1  0.834370  0.585995  0.575194  1
  Ni  Ni258  1  0.334370  0.085995  0.575194  1
  Ni  Ni259  1  0.271460  0.523053  0.619992  1
  Ni  Ni260  1  0.771460  0.023053  0.619992  1
  Ni  Ni261  1  0.522621  0.774123  0.620539  1
  Ni  Ni262  1  0.022621  0.274123  0.620539  1
  Ni  Ni263  1  0.086395  0.837931  0.576283  1
  Ni  Ni264  1  0.586395  0.337931  0.576283  1
  Ni  Ni265  1  0.458219  0.459744  0.603334  1
  Ni  Ni266  1  0.958219  0.959744  0.603334  1
  Ni  Ni267  1  0.020737  0.522293  0.558065  1
  Ni  Ni268  1  0.520737  0.022293  0.558065  1
  Ni  Ni269  1  0.584370  0.835995  0.575194  1
  Ni  Ni270  1  0.084370  0.335995  0.575194  1
  Ni  Ni271  1  0.021460  0.773053  0.619992  1
  Ni  Ni272  1  0.521460  0.273053  0.619992  1
  Ni  Ni273  1  0.712152  0.713681  0.692273  1
  Ni  Ni274  1  0.212152  0.213681  0.692273  1
  Ni  Ni275  1  0.273791  0.775375  0.650251  1
  Ni  Ni276  1  0.773791  0.275375  0.650251  1
  Ni  Ni277  1  0.586511  0.338127  0.665900  1
  Ni  Ni278  1  0.086511  0.838127  0.665900  1
  Ni  Ni279  1  0.024748  0.276368  0.705271  1
  Ni  Ni280  1  0.524748  0.776368  0.705271  1
  Ni  Ni281  1  0.773298  0.774985  0.648887  1
  Ni  Ni282  1  0.273298  0.274985  0.648887  1
  Ni  Ni283  1  0.210052  0.711610  0.692058  1
  Ni  Ni284  1  0.710052  0.211610  0.692058  1
  Ni  Ni285  1  0.523791  0.525375  0.650251  1
  Ni  Ni286  1  0.023791  0.025375  0.650251  1
  Ni  Ni287  1  0.962152  0.463681  0.692273  1
  Ni  Ni288  1  0.462152  0.963681  0.692273  1
  Ni  Ni289  1  0.336511  0.588127  0.665900  1
  Ni  Ni290  1  0.836511  0.088127  0.665900  1
  Ni  Ni291  1  0.774748  0.526368  0.705271  1
  Ni  Ni292  1  0.274748  0.026368  0.705271  1
  Ni  Ni293  1  0.460052  0.461610  0.692058  1
  Ni  Ni294  1  0.960052  0.961610  0.692058  1
  Ni  Ni295  1  0.023298  0.524985  0.648887  1
  Ni  Ni296  1  0.523298  0.024985  0.648887  1
  Ni  Ni297  1  0.647936  0.399352  0.705130  1
  Ni  Ni298  1  0.147936  0.899352  0.705130  1
  Ni  Ni299  1  0.210564  0.462052  0.665310  1
  Ni  Ni300  1  0.710564  0.962052  0.665310  1
  Ni  Ni301  1  0.645342  0.646810  0.648506  1
  Ni  Ni302  1  0.145342  0.146810  0.648506  1
  Ni  Ni303  1  0.082220  0.583683  0.691683  1
  Ni  Ni304  1  0.582220  0.083683  0.691683  1
  Ni  Ni305  1  0.709543  0.461095  0.664767  1
  Ni  Ni306  1  0.209543  0.961095  0.664767  1
  Ni  Ni307  1  0.145869  0.397374  0.704949  1
  Ni  Ni308  1  0.645869  0.897374  0.704949  1
  Ni  Ni309  1  0.397936  0.649352  0.705130  1
  Ni  Ni310  1  0.897936  0.149352  0.705130  1
  Ni  Ni311  1  0.960564  0.712052  0.665310  1
  Ni  Ni312  1  0.460564  0.212052  0.665310  1
  Ni  Ni313  1  0.332220  0.333683  0.691683  1
  Ni  Ni314  1  0.832220  0.833683  0.691683  1
  Ni  Ni315  1  0.895342  0.396810  0.648506  1
  Ni  Ni316  1  0.395342  0.896810  0.648506  1
  Ni  Ni317  1  0.459543  0.711095  0.664767  1
  Ni  Ni318  1  0.959543  0.211095  0.664767  1
  Ni  Ni319  1  0.895869  0.647374  0.704949  1
  Ni  Ni320  1  0.395869  0.147374  0.704949  1
