# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84051221
_cell_length_b   16.21868092
_cell_length_c   49.00241307
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.25253906
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6121.97734972
_cell_formula_units_Z   48
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  0.579527  0.894101  0.306804  1
  Al  Al2  1  0.755358  0.421979  0.271212  1
  Al  Al3  1  0.848179  0.015741  0.287014  1
  Al  Al4  1  0.650532  0.483622  0.325208  1
  Al  Al5  1  0.877482  0.824722  0.272089  1
  Al  Al6  1  0.730004  0.286831  0.309476  1
  Al  Al7  1  0.721542  0.016241  0.338637  1
  Al  Al8  1  0.907300  0.546175  0.299967  1
  Al  Al9  1  0.224356  0.997332  0.307295  1
  Al  Al10  1  0.413097  0.526694  0.269057  1
  Al  Al11  1  0.406619  0.251778  0.295562  1
  Al  Al12  1  0.226573  0.724546  0.336971  1
  Al  Al13  1  0.324972  0.797582  0.290762  1
  Al  Al14  1  0.129500  0.270768  0.330602  1
  Al  Al15  1  0.487983  0.058779  0.283653  1
  Al  Al16  1  0.305179  0.528987  0.321768  1
  Al  Al17  1  0.020685  0.272328  0.277292  1
  Al  Al18  1  0.830084  0.737936  0.317825  1
  Al  Al19  1  0.993049  0.880099  0.322871  1
  Al  Al20  1  0.175856  0.411808  0.288055  1
  Al  Al21  1  0.381435  0.118766  0.339217  1
  Al  Al22  1  0.550802  0.644767  0.302024  1
  Al  Al23  1  0.957127  0.131630  0.325828  1
  Al  Al24  1  0.130802  0.662480  0.286854  1
  Al  Al25  1  0.209274  0.835226  0.383151  1
  Al  Al26  1  0.390635  0.362070  0.344209  1
  Al  Al27  1  0.466126  0.954600  0.362755  1
  Al  Al28  1  0.286793  0.425682  0.401833  1
  Al  Al29  1  0.540682  0.759425  0.347153  1
  Al  Al30  1  0.362332  0.228640  0.385595  1
  Al  Al31  1  0.362989  0.957560  0.415634  1
  Al  Al32  1  0.543324  0.485658  0.377213  1
  Al  Al33  1  0.865830  0.937951  0.384744  1
  Al  Al34  1  0.051321  0.467738  0.346589  1
  Al  Al35  1  0.044468  0.195275  0.376391  1
  Al  Al36  1  0.863797  0.665897  0.414586  1
  Al  Al37  1  0.944231  0.742985  0.369217  1
  Al  Al38  1  0.758044  0.214020  0.407238  1
  Al  Al39  1  0.120367  0.998077  0.359819  1
  Al  Al40  1  0.939430  0.469769  0.398575  1
  Al  Al41  1  0.647521  0.209749  0.354815  1
  Al  Al42  1  0.469111  0.682337  0.393389  1
  Al  Al43  1  0.631458  0.823784  0.399165  1
  Al  Al44  1  0.812591  0.351408  0.361133  1
  Al  Al45  1  0.020561  0.060013  0.416767  1
  Al  Al46  1  0.203024  0.589319  0.378554  1
  Al  Al47  1  0.595366  0.071602  0.401246  1
  Al  Al48  1  0.776907  0.601652  0.361998  1
  Al  Al49  1  0.845889  0.776640  0.460853  1
  Al  Al50  1  0.025851  0.305992  0.422196  1
  Al  Al51  1  0.106928  0.896804  0.440466  1
  Al  Al52  1  0.926042  0.367082  0.479005  1
  Al  Al53  1  0.182199  0.699953  0.424379  1
  Al  Al54  1  1.001660  0.170539  0.462946  1
  Al  Al55  1  1.001712  0.899128  0.493046  1
  Al  Al56  1  0.181827  0.428308  0.454385  1
  Al  Al57  1  0.502956  0.879150  0.461608  1
  Al  Al58  1  0.683196  0.408245  0.423009  1
  Al  Al59  1  0.683657  0.136628  0.453129  1
  Al  Al60  1  0.503227  0.607507  0.491688  1
  Al  Al61  1  0.578271  0.684951  0.445786  1
  Al  Al62  1  0.397626  0.155635  0.484239  1
  Al  Al63  1  0.759274  0.940416  0.437160  1
  Al  Al64  1  0.578696  0.410995  0.475579  1
  Al  Al65  1  0.287050  0.151785  0.431570  1
  Al  Al66  1  0.106839  0.622582  0.470305  1
  Al  Al67  1  0.269757  0.764977  0.476035  1
  Al  Al68  1  0.450026  0.294025  0.437430  1
  Al  Al69  1  0.658582  1.001617  0.493786  1
  Al  Al70  1  0.838431  0.530892  0.455117  1
  Al  Al71  1  0.235191  0.013259  0.478628  1
  Al  Al72  1  0.415669  0.542605  0.439979  1
  Al  Al73  1  0.486051  0.717918  0.538064  1
  Al  Al74  1  0.665900  0.247193  0.499395  1
  Al  Al75  1  0.745786  0.837815  0.517602  1
  Al  Al76  1  0.565207  0.308394  0.556021  1
  Al  Al77  1  0.821255  0.641303  0.501493  1
  Al  Al78  1  0.640825  0.112183  0.540052  1
  Al  Al79  1  0.641286  0.840565  0.570172  1
  Al  Al80  1  0.821526  0.369660  0.531573  1
  Al  Al81  1  0.142654  0.820502  0.538796  1
  Al  Al82  1  0.322770  0.349682  0.500135  1
  Al  Al83  1  0.322822  0.078271  0.530235  1
  Al  Al84  1  0.142283  0.548858  0.568802  1
  Al  Al85  1  0.217643  0.626228  0.522877  1
  Al  Al86  1  0.037431  0.097025  0.561611  1
  Al  Al87  1  0.398439  0.881728  0.514177  1
  Al  Al88  1  0.217553  0.352007  0.552715  1
  Al  Al89  1  0.926856  0.093175  0.508943  1
  Al  Al90  1  0.746211  0.563859  0.547395  1
  Al  Al91  1  0.908813  0.706206  0.553202  1
  Al  Al92  1  0.089290  0.235551  0.514553  1
  Al  Al93  1  0.298630  0.942819  0.570985  1
  Al  Al94  1  0.478593  0.472170  0.532328  1
  Al  Al95  1  0.874456  0.954785  0.555752  1
  Al  Al96  1  0.054724  0.483834  0.517146  1
  Al  Al97  1  0.121458  0.659491  0.614627  1
  Al  Al98  1  0.303920  0.188797  0.576414  1
  Al  Al99  1  0.385051  0.779041  0.594607  1
  Al  Al100  1  0.204115  0.250733  0.633362  1
  Al  Al101  1  0.460685  0.582914  0.578595  1
  Al  Al102  1  0.280014  0.053535  0.616790  1
  Al  Al103  1  0.273160  0.781072  0.646593  1
  Al  Al104  1  0.458651  0.310859  0.608437  1
  Al  Al105  1  0.781158  0.763152  0.615969  1
  Al  Al106  1  0.961492  0.291250  0.577547  1
  Al  Al107  1  0.962150  0.020170  0.607586  1
  Al  Al108  1  0.783800  0.489385  0.646028  1
  Al  Al109  1  0.855370  0.566473  0.599792  1
  Al  Al110  1  0.676961  0.039061  0.638366  1
  Al  Al111  1  0.037688  0.823129  0.591348  1
  Al  Al112  1  0.858355  0.294210  0.630426  1
  Al  Al113  1  0.566437  0.034790  0.585944  1
  Al  Al114  1  0.380251  0.505826  0.623964  1
  Al  Al115  1  0.547575  0.647158  0.631183  1
  Al  Al116  1  0.729115  0.177208  0.591935  1
  Al  Al117  1  0.933847  0.886740  0.648972  1
  Al  Al118  1  0.115208  0.413584  0.610031  1
  Al  Al119  1  0.511890  0.897402  0.632048  1
  Al  Al120  1  0.693024  0.425026  0.594016  1
  Al  Al121  1  0.773679  0.604044  0.691157  1
  Al  Al122  1  0.943047  0.130044  0.653965  1
  Al  Al123  1  0.019302  0.719823  0.671413  1
  Al  Al124  1  0.836498  0.190031  0.709528  1
  Al  Al125  1  0.097909  0.524265  0.656210  1
  Al  Al126  1  0.917863  0.997032  0.697619  1
  Al  Al127  1  0.911385  0.722116  0.724124  1
  Al  Al128  1  0.100126  0.251478  0.685886  1
  Al  Al129  1  0.417182  0.702635  0.693214  1
  Al  Al130  1  0.602940  0.232569  0.654544  1
  Al  Al131  1  0.594478  0.961979  0.683705  1
  Al  Al132  1  0.447000  0.424088  0.721092  1
  Al  Al133  1  0.494397  0.510874  0.675357  1
  Al  Al134  1  0.303797  0.976482  0.715889  1
  Al  Al135  1  0.673950  0.765188  0.667973  1
  Al  Al136  1  0.476303  0.233070  0.706167  1
  Al  Al137  1  0.194981  0.978042  0.662579  1
  Al  Al138  1  0.999510  0.451228  0.702419  1
  Al  Al139  1  0.193679  0.586330  0.706327  1
  Al  Al140  1  0.367355  0.117180  0.667354  1
  Al  Al141  1  0.569123  0.826831  0.721969  1
  Al  Al142  1  0.744954  0.354709  0.686377  1
  Al  Al143  1  0.148626  0.837002  0.705127  1
  Al  Al144  1  0.331432  0.368711  0.670310  1
  Ni  Ni145  1  0.298965  0.871253  0.335422  1
  Ni  Ni146  1  0.485895  0.398228  0.297759  1
  Ni  Ni147  1  0.103643  0.911843  0.274674  1
  Ni  Ni148  1  0.919658  0.389055  0.313575  1
  Ni  Ni149  1  0.656526  0.142955  0.309788  1
  Ni  Ni150  1  0.806050  0.675471  0.272793  1
  Ni  Ni151  1  0.206247  0.148204  0.296999  1
  Ni  Ni152  1  0.038391  0.621161  0.335931  1
  Ni  Ni153  1  0.937877  0.812717  0.413771  1
  Ni  Ni154  1  0.118659  0.341760  0.375039  1
  Ni  Ni155  1  0.735739  0.860679  0.350368  1
  Ni  Ni156  1  0.551955  0.331692  0.387762  1
  Ni  Ni157  1  0.289744  0.082385  0.386469  1
  Ni  Ni158  1  0.469966  0.611956  0.349362  1
  Ni  Ni159  1  0.854031  0.091966  0.374102  1
  Ni  Ni160  1  0.672398  0.563401  0.412137  1
  Ni  Ni161  1  0.575942  0.753932  0.490772  1
  Ni  Ni162  1  0.756301  0.283119  0.452182  1
  Ni  Ni163  1  0.372395  0.803073  0.426392  1
  Ni  Ni164  1  0.192338  0.273428  0.464898  1
  Ni  Ni165  1  0.929000  0.024274  0.463946  1
  Ni  Ni166  1  0.109377  0.553498  0.425395  1
  Ni  Ni167  1  0.492200  0.034019  0.450968  1
  Ni  Ni168  1  0.312140  0.504645  0.489591  1
  Ni  Ni169  1  0.215105  0.695312  0.567786  1
  Ni  Ni170  1  0.395482  0.224536  0.529235  1
  Ni  Ni171  1  0.012342  0.744166  0.503590  1
  Ni  Ni172  1  0.832282  0.214791  0.542213  1
  Ni  Ni173  1  0.568181  0.965691  0.541000  1
  Ni  Ni174  1  0.748540  0.494878  0.502410  1
  Ni  Ni175  1  0.132143  0.975383  0.528284  1
  Ni  Ni176  1  0.952087  0.445738  0.566789  1
  Ni  Ni177  1  0.854516  0.636854  0.643819  1
  Ni  Ni178  1  0.034737  0.166425  0.606712  1
  Ni  Ni179  1  0.652083  0.685409  0.581044  1
  Ni  Ni180  1  0.470451  0.156844  0.619079  1
  Ni  Ni181  1  0.205823  0.907050  0.618142  1
  Ni  Ni182  1  0.386605  0.436093  0.579410  1
  Ni  Ni183  1  0.772527  0.917118  0.605419  1
  Ni  Ni184  1  0.588742  0.388131  0.642814  1
  Ni  Ni185  1  0.518432  0.573339  0.720389  1
  Ni  Ni186  1  0.667955  0.105855  0.683393  1
  Ni  Ni187  1  0.286090  0.627649  0.657250  1
  Ni  Ni188  1  0.118235  0.100607  0.696183  1
  Ni  Ni189  1  0.838587  0.850582  0.695423  1
  Ni  Ni190  1  0.025516  0.377558  0.657759  1
  Ni  Ni191  1  0.404824  0.859755  0.679606  1
  Ni  Ni192  1  0.220839  0.336967  0.718507  1
