# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.93061990
_cell_length_b   9.90956233
_cell_length_c   50.92500010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.12825235
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7796.12456419
_cell_formula_units_Z   60
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  0.904413  0.936260  0.337049  1
  Al  Al2  1  0.509652  0.184274  0.279806  1
  Al  Al3  1  0.207441  0.049196  0.307377  1
  Al  Al4  1  0.696065  0.312826  0.294660  1
  Al  Al5  1  0.400294  0.193623  0.324323  1
  Al  Al6  1  0.102413  0.073711  0.355202  1
  Al  Al7  1  0.758755  0.691359  0.347621  1
  Al  Al8  1  0.361765  0.932457  0.287975  1
  Al  Al9  1  0.060899  0.801989  0.318912  1
  Al  Al10  1  0.874566  0.376080  0.300169  1
  Al  Al11  1  0.572015  0.262871  0.331657  1
  Al  Al12  1  0.274125  0.139794  0.360426  1
  Al  Al13  1  0.817831  0.158721  0.333008  1
  Al  Al14  1  0.422104  0.405352  0.272969  1
  Al  Al15  1  0.115792  0.279298  0.300672  1
  Al  Al16  1  0.936218  0.847046  0.285805  1
  Al  Al17  1  0.632211  0.731937  0.314112  1
  Al  Al18  1  0.330088  0.608926  0.345367  1
  Al  Al19  1  0.778552  0.897206  0.295198  1
  Al  Al20  1  0.475548  0.777046  0.326166  1
  Al  Al21  1  0.175395  0.654859  0.356132  1
  Al  Al22  1  0.992336  0.223954  0.339308  1
  Al  Al23  1  0.601004  0.487611  0.277977  1
  Al  Al24  1  0.290969  0.343755  0.309136  1
  Al  Al25  1  0.912430  0.639940  0.336963  1
  Al  Al26  1  0.525870  0.892426  0.277670  1
  Al  Al27  1  0.215694  0.759920  0.306856  1
  Al  Al28  1  0.930982  0.130044  0.289277  1
  Al  Al29  1  0.641617  0.034236  0.314692  1
  Al  Al30  1  0.341281  0.912563  0.343479  1
  Al  Al31  1  0.788094  0.603931  0.295475  1
  Al  Al32  1  0.487491  0.484783  0.325239  1
  Al  Al33  1  0.186778  0.362638  0.355257  1
  Al  Al34  1  0.749829  0.387652  0.349085  1
  Al  Al35  1  0.346725  0.629077  0.290223  1
  Al  Al36  1  0.047947  0.502649  0.320662  1
  Al  Al37  1  1.000945  0.580910  0.428460  1
  Al  Al38  1  0.601926  0.816741  0.367090  1
  Al  Al39  1  0.301174  0.699143  0.397910  1
  Al  Al40  1  0.800435  0.956557  0.385044  1
  Al  Al41  1  0.499433  0.838634  0.415515  1
  Al  Al42  1  0.198911  0.720156  0.446017  1
  Al  Al43  1  0.857901  0.334331  0.438818  1
  Al  Al44  1  0.458173  0.572737  0.377831  1
  Al  Al45  1  0.158529  0.452770  0.408354  1
  Al  Al46  1  0.973461  0.020298  0.390776  1
  Al  Al47  1  0.672799  0.902790  0.421263  1
  Al  Al48  1  0.372075  0.784897  0.451778  1
  Al  Al49  1  0.915694  0.805340  0.423681  1
  Al  Al50  1  0.518374  0.041995  0.364079  1
  Al  Al51  1  0.216524  0.924314  0.393974  1
  Al  Al52  1  0.031163  0.489901  0.376268  1
  Al  Al53  1  0.731735  0.374103  0.406465  1
  Al  Al54  1  0.430512  0.255874  0.436849  1
  Al  Al55  1  0.875784  0.539268  0.386305  1
  Al  Al56  1  0.575891  0.421861  0.417023  1
  Al  Al57  1  0.274849  0.303099  0.447169  1
  Al  Al58  1  0.088645  0.869335  0.429833  1
  Al  Al59  1  0.691045  0.107614  0.368951  1
  Al  Al60  1  0.389286  0.988717  0.399451  1
  Al  Al61  1  0.013789  0.287820  0.428653  1
  Al  Al62  1  0.613556  0.523497  0.367945  1
  Al  Al63  1  0.313699  0.406220  0.398055  1
  Al  Al64  1  0.040750  0.791875  0.373841  1
  Al  Al65  1  0.740919  0.675630  0.403971  1
  Al  Al66  1  0.440496  0.557776  0.434409  1
  Al  Al67  1  0.888654  0.244012  0.386595  1
  Al  Al68  1  0.588134  0.126911  0.417208  1
  Al  Al69  1  0.286870  0.009702  0.447238  1
  Al  Al70  1  0.847668  0.032078  0.441236  1
  Al  Al71  1  0.449520  0.269578  0.380348  1
  Al  Al72  1  0.148693  0.150108  0.411139  1
  Al  Al73  1  0.099483  0.225865  0.519673  1
  Al  Al74  1  0.700797  0.462959  0.458938  1
  Al  Al75  1  0.399994  0.344509  0.489285  1
  Al  Al76  1  0.898053  0.601083  0.476442  1
  Al  Al77  1  0.597380  0.482535  0.506864  1
  Al  Al78  1  0.296830  0.364491  0.537204  1
  Al  Al79  1  0.955861  0.979108  0.529977  1
  Al  Al80  1  0.557111  0.216306  0.469249  1
  Al  Al81  1  0.256468  0.097900  0.499622  1
  Al  Al82  1  0.071329  0.666244  0.482200  1
  Al  Al83  1  0.770659  0.547578  0.512705  1
  Al  Al84  1  0.470092  0.429302  0.543199  1
  Al  Al85  1  0.014217  0.450014  0.515066  1
  Al  Al86  1  0.615453  0.686956  0.454067  1
  Al  Al87  1  0.314886  0.568680  0.484561  1
  Al  Al88  1  0.129685  0.137150  0.467289  1
  Al  Al89  1  0.829077  0.018358  0.497644  1
  Al  Al90  1  0.528434  0.899952  0.528017  1
  Al  Al91  1  0.974009  0.183922  0.477562  1
  Al  Al92  1  0.673408  0.065509  0.507936  1
  Al  Al93  1  0.372550  0.947142  0.538330  1
  Al  Al94  1  0.187493  0.515175  0.520824  1
  Al  Al95  1  0.788715  0.751767  0.460062  1
  Al  Al96  1  0.488165  0.633723  0.490402  1
  Al  Al97  1  0.111536  0.932336  0.519704  1
  Al  Al98  1  0.712995  0.169116  0.458936  1
  Al  Al99  1  0.412138  0.050749  0.489330  1
  Al  Al100  1  0.139938  0.439569  0.464862  1
  Al  Al101  1  0.839152  0.320704  0.495241  1
  Al  Al102  1  0.538480  0.202249  0.525674  1
  Al  Al103  1  0.986063  0.890393  0.477593  1
  Al  Al104  1  0.685551  0.771749  0.507981  1
  Al  Al105  1  0.384748  0.653299  0.538328  1
  Al  Al106  1  0.945608  0.676689  0.532404  1
  Al  Al107  1  0.547065  0.914009  0.471592  1
  Al  Al108  1  0.246393  0.795554  0.502025  1
  Al  Al109  1  0.196891  0.872246  0.610671  1
  Al  Al110  1  0.798675  0.106556  0.550028  1
  Al  Al111  1  0.497411  0.989347  0.580058  1
  Al  Al112  1  0.996900  0.246923  0.567433  1
  Al  Al113  1  0.696259  0.127541  0.597815  1
  Al  Al114  1  0.394501  0.008644  0.628315  1
  Al  Al115  1  0.054383  0.626357  0.620998  1
  Al  Al116  1  0.655034  0.860383  0.560417  1
  Al  Al117  1  0.353810  0.742155  0.590801  1
  Al  Al118  1  0.169851  0.310918  0.573585  1
  Al  Al119  1  0.869021  0.191944  0.603292  1
  Al  Al120  1  0.567171  0.074263  0.633187  1
  Al  Al121  1  0.112084  0.095960  0.606490  1
  Al  Al122  1  0.713471  0.331361  0.545489  1
  Al  Al123  1  0.412746  0.213468  0.576003  1
  Al  Al124  1  0.227644  0.781927  0.558448  1
  Al  Al125  1  0.927016  0.663488  0.588912  1
  Al  Al126  1  0.627372  0.543521  0.619435  1
  Al  Al127  1  0.071757  0.828438  0.568613  1
  Al  Al128  1  0.771846  0.710038  0.599211  1
  Al  Al129  1  0.471990  0.592761  0.629321  1
  Al  Al130  1  0.285111  0.159701  0.612222  1
  Al  Al131  1  0.886634  0.396102  0.551249  1
  Al  Al132  1  0.586112  0.277624  0.581752  1
  Al  Al133  1  0.209762  0.576990  0.610961  1
  Al  Al134  1  0.810697  0.813159  0.550097  1
  Al  Al135  1  0.509654  0.694397  0.580243  1
  Al  Al136  1  0.237878  0.084180  0.556030  1
  Al  Al137  1  0.936853  0.966150  0.586127  1
  Al  Al138  1  0.636025  0.846680  0.616918  1
  Al  Al139  1  0.084601  0.535348  0.568806  1
  Al  Al140  1  0.784371  0.417115  0.599356  1
  Al  Al141  1  0.483619  0.299517  0.630177  1
  Al  Al142  1  0.044796  0.324383  0.623425  1
  Al  Al143  1  0.645050  0.558482  0.562857  1
  Al  Al144  1  0.344627  0.440628  0.593295  1
  Al  Al145  1  0.297451  0.512327  0.701791  1
  Al  Al146  1  0.898767  0.753620  0.642010  1
  Al  Al147  1  0.598055  0.631475  0.672027  1
  Al  Al148  1  0.093209  0.892304  0.657958  1
  Al  Al149  1  0.794576  0.772503  0.688130  1
  Al  Al150  1  0.484541  0.628647  0.719289  1
  Al  Al151  1  0.149327  0.269211  0.711461  1
  Al  Al152  1  0.755457  0.507332  0.651900  1
  Al  Al153  1  0.453335  0.384321  0.683154  1
  Al  Al154  1  0.267714  0.957537  0.664258  1
  Al  Al155  1  0.969753  0.836960  0.696595  1
  Al  Al156  1  0.663442  0.710906  0.724298  1
  Al  Al157  1  0.210980  0.740178  0.697097  1
  Al  Al158  1  0.811420  0.976464  0.636840  1
  Al  Al159  1  0.513530  0.853387  0.665609  1
  Al  Al160  1  0.326790  0.424899  0.649645  1
  Al  Al161  1  0.024646  0.314269  0.678354  1
  Al  Al162  1  0.723780  0.183801  0.709291  1
  Al  Al163  1  0.173115  0.476318  0.660303  1
  Al  Al164  1  0.869851  0.356338  0.690410  1
  Al  Al165  1  0.559675  0.223832  0.719596  1
  Al  Al166  1  0.389481  0.803432  0.702606  1
  Al  Al167  1  0.983132  0.042547  0.642064  1
  Al  Al168  1  0.685252  0.922635  0.672943  1
  Al  Al169  1  0.306993  0.219052  0.702068  1
  Al  Al170  1  0.910150  0.461399  0.641134  1
  Al  Al171  1  0.609998  0.339212  0.671100  1
  Al  Al172  1  0.335716  0.728606  0.648181  1
  Al  Al173  1  0.037598  0.613609  0.676604  1
  Al  Al174  1  0.738820  0.487181  0.707043  1
  Al  Al175  1  0.181132  0.179998  0.660217  1
  Al  Al176  1  0.878104  0.067062  0.689889  1
  Al  Al177  1  0.575894  0.931984  0.717460  1
  Al  Al178  1  0.154563  0.986214  0.707989  1
  Al  Al179  1  0.744264  0.203695  0.653787  1
  Al  Al180  1  0.443929  0.082022  0.682574  1
  Ni  Ni181  1  0.734879  0.920988  0.341212  1
  Ni  Ni182  1  0.338334  0.164894  0.279822  1
  Ni  Ni183  1  0.042385  0.035914  0.311205  1
  Ni  Ni184  1  0.775575  0.139367  0.285656  1
  Ni  Ni185  1  0.484252  0.021043  0.317577  1
  Ni  Ni186  1  0.184323  0.899424  0.347148  1
  Ni  Ni187  1  0.958529  0.613111  0.291302  1
  Ni  Ni188  1  0.656101  0.500059  0.322834  1
  Ni  Ni189  1  0.357277  0.378562  0.352583  1
  Ni  Ni190  1  0.907107  0.396158  0.347555  1
  Ni  Ni191  1  0.503805  0.642152  0.286484  1
  Ni  Ni192  1  0.205223  0.515013  0.315623  1
  Ni  Ni193  1  0.833192  0.566681  0.432266  1
  Ni  Ni194  1  0.433087  0.803904  0.371574  1
  Ni  Ni195  1  0.133562  0.684769  0.401936  1
  Ni  Ni196  1  0.883056  0.783397  0.376261  1
  Ni  Ni197  1  0.582454  0.666011  0.406699  1
  Ni  Ni198  1  0.282143  0.547578  0.437258  1
  Ni  Ni199  1  0.057288  0.258547  0.383065  1
  Ni  Ni200  1  0.755746  0.141445  0.413035  1
  Ni  Ni201  1  0.454967  0.023526  0.443473  1
  Ni  Ni202  1  0.005879  0.042947  0.438212  1
  Ni  Ni203  1  0.608130  0.279794  0.378299  1
  Ni  Ni204  1  0.306928  0.162453  0.407803  1
  Ni  Ni205  1  0.931180  0.211291  0.523405  1
  Ni  Ni206  1  0.532488  0.448505  0.462747  1
  Ni  Ni207  1  0.231909  0.330078  0.493046  1
  Ni  Ni208  1  0.981515  0.428672  0.467776  1
  Ni  Ni209  1  0.680844  0.310134  0.498164  1
  Ni  Ni210  1  0.380236  0.191962  0.528583  1
  Ni  Ni211  1  0.154365  0.904967  0.473861  1
  Ni  Ni212  1  0.853636  0.786180  0.504220  1
  Ni  Ni213  1  0.553057  0.667753  0.534519  1
  Ni  Ni214  1  0.104030  0.687586  0.529490  1
  Ni  Ni215  1  0.705309  0.924296  0.468683  1
  Ni  Ni216  1  0.404701  0.806124  0.499102  1
  Ni  Ni217  1  0.028257  0.857711  0.614202  1
  Ni  Ni218  1  0.630578  0.092731  0.553793  1
  Ni  Ni219  1  0.329799  0.974813  0.584231  1
  Ni  Ni220  1  0.079666  0.073311  0.559055  1
  Ni  Ni221  1  0.778617  0.953805  0.589463  1
  Ni  Ni222  1  0.477416  0.836464  0.618967  1
  Ni  Ni223  1  0.252353  0.549577  0.565000  1
  Ni  Ni224  1  0.951983  0.431489  0.595330  1
  Ni  Ni225  1  0.652458  0.312354  0.625693  1
  Ni  Ni226  1  0.202489  0.332861  0.621005  1
  Ni  Ni227  1  0.803403  0.568680  0.560008  1
  Ni  Ni228  1  0.503091  0.450247  0.590567  1
  Ni  Ni229  1  0.127016  0.503147  0.705964  1
  Ni  Ni230  1  0.728268  0.737696  0.644683  1
  Ni  Ni231  1  0.429444  0.616199  0.674432  1
  Ni  Ni232  1  0.178439  0.720100  0.649711  1
  Ni  Ni233  1  0.880322  0.601245  0.681643  1
  Ni  Ni234  1  0.581740  0.474106  0.710782  1
  Ni  Ni235  1  0.350666  0.195270  0.656054  1
  Ni  Ni236  1  0.043160  0.080344  0.686061  1
  Ni  Ni237  1  0.747211  0.951364  0.717444  1
  Ni  Ni238  1  0.309971  0.976891  0.711610  1
  Ni  Ni239  1  0.901222  0.216834  0.650118  1
  Ni  Ni240  1  0.601293  0.095215  0.679689  1
