# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.09765133
_cell_length_b   9.20076628
_cell_length_c   51.57198799
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.71010584
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6094.5967677
_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  0.602681  0.169491  0.320157  1
  Al  Al2  1  0.148600  0.321900  0.278543  1
  Al  Al3  1  0.730674  0.486755  0.299672  1
  Al  Al4  1  0.166158  0.333077  0.334136  1
  Al  Al5  1  0.658963  0.886957  0.341574  1
  Al  Al6  1  0.209700  0.020442  0.299055  1
  Al  Al7  1  0.823516  0.654386  0.268252  1
  Al  Al8  1  0.276217  0.501276  0.303734  1
  Al  Al9  1  0.955300  0.446859  0.299148  1
  Al  Al10  1  0.410014  0.318215  0.337280  1
  Al  Al11  1  0.018157  0.931177  0.303309  1
  Al  Al12  1  0.611335  0.036709  0.269140  1
  Al  Al13  1  0.999248  0.153024  0.266932  1
  Al  Al14  1  0.447128  0.009627  0.304323  1
  Al  Al15  1  0.060611  0.632393  0.272619  1
  Al  Al16  1  0.528562  0.487488  0.310285  1
  Al  Al17  1  0.780412  0.945610  0.300169  1
  Al  Al18  1  0.231415  0.812255  0.339103  1
  Al  Al19  1  0.854221  0.200913  0.310116  1
  Al  Al20  1  0.459975  0.284922  0.281079  1
  Al  Al21  1  0.079436  0.632195  0.329561  1
  Al  Al22  1  0.607659  0.760146  0.293809  1
  Al  Al23  1  0.822227  0.623499  0.337036  1
  Al  Al24  1  0.377927  0.743787  0.295445  1
  Al  Al25  1  0.506736  0.922857  0.392765  1
  Al  Al26  1  0.058888  0.051465  0.353049  1
  Al  Al27  1  0.614449  0.193479  0.373865  1
  Al  Al28  1  0.066910  0.071914  0.411836  1
  Al  Al29  1  0.556371  0.626910  0.418517  1
  Al  Al30  1  0.110092  0.756768  0.378551  1
  Al  Al31  1  0.718584  0.366476  0.346670  1
  Al  Al32  1  0.170801  0.241362  0.384011  1
  Al  Al33  1  0.862629  0.188029  0.376409  1
  Al  Al34  1  0.308941  0.059193  0.414586  1
  Al  Al35  1  0.924756  0.671368  0.382314  1
  Al  Al36  1  0.471832  0.801160  0.342602  1
  Al  Al37  1  0.904927  0.877677  0.344513  1
  Al  Al38  1  0.352567  0.747572  0.382018  1
  Al  Al39  1  0.964975  0.358832  0.348935  1
  Al  Al40  1  0.412712  0.230138  0.387358  1
  Al  Al41  1  0.678352  0.681297  0.379948  1
  Al  Al42  1  0.127280  0.553606  0.416657  1
  Al  Al43  1  0.762087  0.936859  0.389206  1
  Al  Al44  1  0.304767  0.069022  0.348271  1
  Al  Al45  1  0.975558  0.375205  0.407195  1
  Al  Al46  1  0.521623  0.501433  0.368708  1
  Al  Al47  1  0.719173  0.361112  0.411383  1
  Al  Al48  1  0.271376  0.491798  0.371659  1
  Al  Al49  1  0.406273  0.666991  0.469358  1
  Al  Al50  1  0.956327  0.796995  0.431058  1
  Al  Al51  1  0.513734  0.939901  0.450821  1
  Al  Al52  1  0.964484  0.812886  0.489088  1
  Al  Al53  1  0.456493  0.369517  0.495374  1
  Al  Al54  1  1.007693  0.499632  0.456507  1
  Al  Al55  1  0.619108  0.111285  0.423873  1
  Al  Al56  1  0.069635  0.983564  0.461785  1
  Al  Al57  1  0.760320  0.930304  0.453609  1
  Al  Al58  1  0.209046  0.801725  0.491793  1
  Al  Al59  1  0.822216  0.413469  0.458896  1
  Al  Al60  1  0.370901  0.542991  0.419701  1
  Al  Al61  1  0.803319  0.618466  0.421519  1
  Al  Al62  1  0.251565  0.491441  0.459455  1
  Al  Al63  1  0.865528  0.101246  0.426248  1
  Al  Al64  1  0.313302  0.972419  0.464565  1
  Al  Al65  1  0.576524  0.420664  0.455838  1
  Al  Al66  1  0.026411  0.294549  0.494213  1
  Al  Al67  1  0.659188  0.678840  0.465896  1
  Al  Al68  1  0.208659  0.809661  0.426473  1
  Al  Al69  1  0.873227  0.117585  0.484368  1
  Al  Al70  1  0.420757  0.245679  0.445906  1
  Al  Al71  1  0.618835  0.103815  0.488465  1
  Al  Al72  1  0.170210  0.233990  0.449761  1
  Al  Al73  1  0.306767  0.410084  0.546644  1
  Al  Al74  1  0.854297  0.538178  0.508182  1
  Al  Al75  1  0.414222  0.683344  0.527985  1
  Al  Al76  1  0.861996  0.554516  0.566302  1
  Al  Al77  1  0.356623  0.112772  0.572850  1
  Al  Al78  1  0.905308  0.242294  0.533654  1
  Al  Al79  1  0.518478  0.854038  0.500757  1
  Al  Al80  1  0.967204  0.725458  0.538941  1
  Al  Al81  1  0.657889  0.672198  0.530765  1
  Al  Al82  1  0.108416  0.544478  0.568677  1
  Al  Al83  1  0.719831  0.156131  0.536043  1
  Al  Al84  1  0.271031  0.286246  0.497176  1
  Al  Al85  1  0.701113  0.361213  0.498338  1
  Al  Al86  1  0.151000  0.235099  0.536712  1
  Al  Al87  1  0.763040  0.842877  0.503462  1
  Al  Al88  1  0.213790  0.715862  0.541729  1
  Al  Al89  1  0.475958  0.164322  0.533095  1
  Al  Al90  1  0.924205  0.037296  0.571031  1
  Al  Al91  1  0.557314  0.421773  0.542790  1
  Al  Al92  1  0.108689  0.551947  0.504085  1
  Al  Al93  1  0.771197  0.858768  0.561493  1
  Al  Al94  1  0.321251  0.988772  0.523192  1
  Al  Al95  1  0.518864  0.846102  0.566077  1
  Al  Al96  1  0.068336  0.976923  0.526655  1
  Al  Al97  1  0.205901  0.154330  0.623843  1
  Al  Al98  1  0.751966  0.280557  0.585355  1
  Al  Al99  1  0.314812  0.425625  0.605192  1
  Al  Al100  1  0.762548  0.296931  0.643615  1
  Al  Al101  1  0.255692  0.854603  0.649948  1
  Al  Al102  1  0.802768  0.984395  0.610236  1
  Al  Al103  1  0.418582  0.596570  0.577964  1
  Al  Al104  1  0.864895  0.467734  0.616141  1
  Al  Al105  1  0.556723  0.414400  0.608540  1
  Al  Al106  1  1.008940  0.289287  0.645880  1
  Al  Al107  1  0.617432  0.898995  0.613999  1
  Al  Al108  1  0.171153  0.028853  0.574033  1
  Al  Al109  1  0.600244  0.102157  0.575893  1
  Al  Al110  1  0.049172  0.974466  0.612602  1
  Al  Al111  1  0.660613  0.583849  0.580714  1
  Al  Al112  1  0.113075  0.462284  0.618686  1
  Al  Al113  1  0.374957  0.908191  0.610532  1
  Al  Al114  1  0.822597  0.778085  0.648037  1
  Al  Al115  1  0.456148  0.163964  0.620891  1
  Al  Al116  1  1.008351  0.294651  0.581167  1
  Al  Al117  1  0.668636  0.604298  0.639501  1
  Al  Al118  1  0.220788  0.732905  0.599785  1
  Al  Al119  1  0.422757  0.586741  0.644279  1
  Al  Al120  1  0.965437  0.718904  0.603344  1
  Al  Al121  1  0.119865  0.895617  0.698741  1
  Al  Al122  1  0.648088  0.023568  0.662989  1
  Al  Al123  1  0.198962  0.168275  0.682265  1
  Al  Al124  1  0.666913  0.023370  0.719931  1
  Al  Al125  1  0.116189  0.619054  0.723410  1
  Al  Al126  1  0.709366  0.724586  0.689241  1
  Al  Al127  1  0.317510  0.337548  0.655271  1
  Al  Al128  1  0.772224  0.208904  0.693402  1
  Al  Al129  1  0.451307  0.154487  0.688817  1
  Al  Al130  1  0.904008  0.001376  0.724298  1
  Al  Al131  1  0.517824  0.635321  0.693495  1
  Al  Al132  1  0.068561  0.768806  0.650976  1
  Al  Al133  1  0.496109  0.843508  0.653447  1
  Al  Al134  1  0.947112  0.710153  0.692382  1
  Al  Al135  1  0.561366  0.322686  0.658414  1
  Al  Al136  1  0.996850  0.169008  0.692878  1
  Al  Al137  1  0.280396  0.646136  0.688227  1
  Al  Al138  1  0.728276  0.502739  0.725619  1
  Al  Al139  1  0.349597  0.911976  0.697105  1
  Al  Al140  1  0.905296  0.032264  0.655515  1
  Al  Al141  1  0.578923  0.333863  0.714007  1
  Al  Al142  1  0.124843  0.486271  0.672393  1
  Al  Al143  1  0.267549  0.370841  0.711472  1
  Al  Al144  1  0.873303  0.454850  0.682434  1
  Ni  Ni145  1  0.046969  0.194648  0.312349  1
  Ni  Ni146  1  0.674852  0.267765  0.283373  1
  Ni  Ni147  1  0.839567  0.353744  0.266784  1
  Ni  Ni148  1  0.304602  0.222048  0.304758  1
  Ni  Ni149  1  0.634112  0.622534  0.336417  1
  Ni  Ni150  1  0.184246  0.757255  0.295105  1
  Ni  Ni151  1  0.922387  0.725423  0.304402  1
  Ni  Ni152  1  0.376637  0.598002  0.338701  1
  Ni  Ni153  1  0.951143  0.936918  0.388918  1
  Ni  Ni154  1  0.492093  0.061120  0.351001  1
  Ni  Ni155  1  0.760500  0.084408  0.344697  1
  Ni  Ni156  1  0.205946  0.958287  0.382016  1
  Ni  Ni157  1  0.530620  0.361591  0.410935  1
  Ni  Ni158  1  0.083028  0.492876  0.371711  1
  Ni  Ni159  1  0.825255  0.469737  0.379055  1
  Ni  Ni160  1  0.273547  0.342877  0.416703  1
  Ni  Ni161  1  0.847635  0.678869  0.466138  1
  Ni  Ni162  1  0.396662  0.807722  0.427192  1
  Ni  Ni163  1  0.654898  0.828022  0.421791  1
  Ni  Ni164  1  0.104639  0.700726  0.459495  1
  Ni  Ni165  1  0.430198  0.104870  0.488149  1
  Ni  Ni166  1  0.982154  0.234825  0.449317  1
  Ni  Ni167  1  0.724837  0.212732  0.455814  1
  Ni  Ni168  1  0.174115  0.085213  0.494137  1
  Ni  Ni169  1  0.745370  0.420938  0.543233  1
  Ni  Ni170  1  0.297326  0.550893  0.504402  1
  Ni  Ni171  1  0.553409  0.570549  0.498413  1
  Ni  Ni172  1  1.002686  0.443031  0.536737  1
  Ni  Ni173  1  0.330862  0.848041  0.565359  1
  Ni  Ni174  1  0.879889  0.976894  0.526412  1
  Ni  Ni175  1  0.622885  0.955036  0.533055  1
  Ni  Ni176  1  0.072626  0.827741  0.570759  1
  Ni  Ni177  1  0.644495  0.162887  0.620839  1
  Ni  Ni178  1  0.196904  0.294172  0.581615  1
  Ni  Ni179  1  0.453977  0.312886  0.575847  1
  Ni  Ni180  1  0.902269  0.186025  0.613495  1
  Ni  Ni181  1  0.235430  0.594643  0.641550  1
  Ni  Ni182  1  0.776381  0.718845  0.603633  1
  Ni  Ni183  1  0.521578  0.697475  0.610535  1
  Ni  Ni184  1  0.967024  0.571355  0.647854  1
  Ni  Ni185  1  0.543278  0.898507  0.697445  1
  Ni  Ni186  1  0.093412  0.033229  0.656133  1
  Ni  Ni187  1  0.350887  0.057761  0.653850  1
  Ni  Ni188  1  0.805137  0.930340  0.688148  1
  Ni  Ni189  1  0.052672  0.387998  0.709177  1
  Ni  Ni190  1  0.680555  0.461114  0.680202  1
  Ni  Ni191  1  0.422922  0.433714  0.687792  1
  Ni  Ni192  1  0.887957  0.302019  0.725767  1
