# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.75792282
_cell_length_b   27.48649313
_cell_length_c   55.58980431
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7269.95749212
_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  0.447940  0.988008  0.302733  1
  Al  Al2  1  0.449337  0.633061  0.338065  1
  Al  Al3  1  0.486541  0.355307  0.273103  1
  Al  Al4  1  0.700153  0.892716  0.326428  1
  Al  Al5  1  0.796975  0.600665  0.267939  1
  Al  Al6  1  0.726379  0.249499  0.295197  1
  Al  Al7  1  0.720234  0.117697  0.271198  1
  Al  Al8  1  0.690094  0.752740  0.287672  1
  Al  Al9  1  0.746558  0.387692  0.328973  1
  Al  Al10  1  0.645825  0.915579  0.274174  1
  Al  Al11  1  0.818553  0.577297  0.315830  1
  Al  Al12  1  0.783236  0.206597  0.343182  1
  Al  Al13  1  0.174713  0.905322  0.304304  1
  Al  Al14  1  0.249659  0.548470  0.341073  1
  Al  Al15  1  0.222469  0.273014  0.276348  1
  Al  Al16  1  0.366504  0.723443  0.324327  1
  Al  Al17  1  0.278217  0.368045  0.352941  1
  Al  Al18  1  0.267945  0.085343  0.291493  1
  Al  Al19  1  0.240630  0.046500  0.337170  1
  Al  Al20  1  0.138201  0.679543  0.285169  1
  Al  Al21  1  0.256253  0.408590  0.306264  1
  Al  Al22  1  0.279955  0.862878  0.350789  1
  Al  Al23  1  0.168070  0.511071  0.263663  1
  Al  Al24  1  0.283490  0.226149  0.322147  1
  Al  Al25  1  0.868244  0.701070  0.335684  1
  Al  Al26  1  0.820026  0.434049  0.279693  1
  Al  Al27  1  0.771879  0.068103  0.313570  1
  Al  Al28  1  0.956353  0.999788  0.279391  1
  Al  Al29  1  0.309681  0.585994  0.293494  1
  Al  Al30  1  0.932944  0.297675  0.335165  1
  Al  Al31  1  0.298525  0.832667  0.273404  1
  Al  Al32  1  0.592002  0.479591  0.322415  1
  Al  Al33  1  0.581909  0.118761  0.350664  1
  Al  Al34  1  0.154886  0.804749  0.315847  1
  Al  Al35  1  0.085332  0.455430  0.347900  1
  Al  Al36  1  0.114528  0.175834  0.285243  1
  Al  Al37  1  0.430420  0.914911  0.390594  1
  Al  Al38  1  0.437875  0.556213  0.423613  1
  Al  Al39  1  0.438129  0.275805  0.361430  1
  Al  Al40  1  0.731333  0.809548  0.418678  1
  Al  Al41  1  0.745406  0.529884  0.361345  1
  Al  Al42  1  0.738788  0.169821  0.389831  1
  Al  Al43  1  0.738209  0.026488  0.359311  1
  Al  Al44  1  0.730145  0.668639  0.390187  1
  Al  Al45  1  0.738774  0.306145  0.419670  1
  Al  Al46  1  0.783552  0.845268  0.372099  1
  Al  Al47  1  0.778667  0.485500  0.405314  1
  Al  Al48  1  0.776881  0.126953  0.434854  1
  Al  Al49  1  0.240991  0.826496  0.397359  1
  Al  Al50  1  0.239711  0.468341  0.429943  1
  Al  Al51  1  0.239657  0.188268  0.368160  1
  Al  Al52  1  0.274971  0.649776  0.416040  1
  Al  Al53  1  0.277778  0.288445  0.444521  1
  Al  Al54  1  0.270838  0.008523  0.383629  1
  Al  Al55  1  0.235525  0.965041  0.427769  1
  Al  Al56  1  0.228217  0.686550  0.370738  1
  Al  Al57  1  0.239808  0.324820  0.398084  1
  Al  Al58  1  0.277193  0.787656  0.443612  1
  Al  Al59  1  0.279446  0.504166  0.384654  1
  Al  Al60  1  0.277701  0.145609  0.413407  1
  Al  Al61  1  0.774632  0.631605  0.436720  1
  Al  Al62  1  0.778333  0.349228  0.374763  1
  Al  Al63  1  0.771990  0.989182  0.404779  1
  Al  Al64  1  0.927461  0.936862  0.364864  1
  Al  Al65  1  0.934766  0.578930  0.398855  1
  Al  Al66  1  0.936610  0.219121  0.426457  1
  Al  Al67  1  0.600071  0.757236  0.374290  1
  Al  Al68  1  0.580114  0.398380  0.411480  1
  Al  Al69  1  0.576641  0.039580  0.441490  1
  Al  Al70  1  0.070697  0.736524  0.408771  1
  Al  Al71  1  0.079772  0.375657  0.437566  1
  Al  Al72  1  0.079340  0.096156  0.376941  1
  Al  Al73  1  0.434399  0.838676  0.482939  1
  Al  Al74  1  0.436536  0.477458  0.512466  1
  Al  Al75  1  0.436487  0.196556  0.453154  1
  Al  Al76  1  0.738005  0.733394  0.511528  1
  Al  Al77  1  0.739025  0.449700  0.450989  1
  Al  Al78  1  0.738469  0.091318  0.481170  1
  Al  Al79  1  0.735164  0.947191  0.449215  1
  Al  Al80  1  0.738751  0.587715  0.480570  1
  Al  Al81  1  0.738605  0.228339  0.511365  1
  Al  Al82  1  0.775602  0.769352  0.465281  1
  Al  Al83  1  0.777547  0.406869  0.495449  1
  Al  Al84  1  0.776825  0.049017  0.525880  1
  Al  Al85  1  0.237014  0.751741  0.490101  1
  Al  Al86  1  0.238959  0.389259  0.520269  1
  Al  Al87  1  0.237735  0.109593  0.459671  1
  Al  Al88  1  0.275810  0.570895  0.504980  1
  Al  Al89  1  0.279396  0.211419  0.536335  1
  Al  Al90  1  0.275955  0.930271  0.474185  1
  Al  Al91  1  0.236798  0.888600  0.519445  1
  Al  Al92  1  0.237875  0.606452  0.459633  1
  Al  Al93  1  0.237774  0.246577  0.489870  1
  Al  Al94  1  0.275536  0.708910  0.534561  1
  Al  Al95  1  0.276556  0.425216  0.474022  1
  Al  Al96  1  0.276091  0.067292  0.504380  1
  Al  Al97  1  0.776685  0.552158  0.525917  1
  Al  Al98  1  0.777763  0.270011  0.466105  1
  Al  Al99  1  0.776786  0.912033  0.495681  1
  Al  Al100  1  0.933914  0.860665  0.455555  1
  Al  Al101  1  0.937344  0.499861  0.487167  1
  Al  Al102  1  0.937427  0.141308  0.518040  1
  Al  Al103  1  0.578024  0.681152  0.473084  1
  Al  Al104  1  0.580161  0.319934  0.502611  1
  Al  Al105  1  0.578073  0.962054  0.532396  1
  Al  Al106  1  0.077216  0.658749  0.498383  1
  Al  Al107  1  0.080646  0.297945  0.529995  1
  Al  Al108  1  0.077133  0.017302  0.467510  1
  Al  Al109  1  0.434446  0.760230  0.574070  1
  Al  Al110  1  0.414489  0.401374  0.611260  1
  Al  Al111  1  0.437920  0.119030  0.544060  1
  Al  Al112  1  0.735114  0.654444  0.600897  1
  Al  Al113  1  0.737368  0.370954  0.541938  1
  Al  Al114  1  0.736859  0.013001  0.572143  1
  Al  Al115  1  0.736782  0.870165  0.541029  1
  Al  Al116  1  0.739590  0.508834  0.569510  1
  Al  Al117  1  0.743722  0.150087  0.601921  1
  Al  Al118  1  0.774849  0.690269  0.555607  1
  Al  Al119  1  0.773570  0.332114  0.588191  1
  Al  Al120  1  0.774904  0.970342  0.617390  1
  Al  Al121  1  0.235893  0.673110  0.580236  1
  Al  Al122  1  0.231008  0.313342  0.613452  1
  Al  Al123  1  0.237680  0.031657  0.550696  1
  Al  Al124  1  0.284415  0.489971  0.595363  1
  Al  Al125  1  0.276351  0.132122  0.626239  1
  Al  Al126  1  0.275787  0.852466  0.565880  1
  Al  Al127  1  0.236227  0.809382  0.610787  1
  Al  Al128  1  0.239928  0.527005  0.548830  1
  Al  Al129  1  0.242570  0.169428  0.580771  1
  Al  Al130  1  0.269154  0.628726  0.624205  1
  Al  Al131  1  0.283227  0.349062  0.566872  1
  Al  Al132  1  0.275772  0.988789  0.595719  1
  Al  Al133  1  0.786343  0.472060  0.614812  1
  Al  Al134  1  0.779035  0.193569  0.557781  1
  Al  Al135  1  0.774753  0.833790  0.587466  1
  Al  Al136  1  0.934788  0.782953  0.547985  1
  Al  Al137  1  0.943864  0.422086  0.576779  1
  Al  Al138  1  0.935220  0.062454  0.608609  1
  Al  Al139  1  0.576685  0.602397  0.561938  1
  Al  Al140  1  0.584140  0.243699  0.594956  1
  Al  Al141  1  0.576431  0.882805  0.624120  1
  Al  Al142  1  0.079794  0.579680  0.586695  1
  Al  Al143  1  0.087100  0.221748  0.620686  1
  Al  Al144  1  0.077951  0.939489  0.559093  1
  Al  Al145  1  0.422558  0.679019  0.663135  1
  Al  Al146  1  0.716036  0.325943  0.712146  1
  Al  Al147  1  0.432651  0.039849  0.634886  1
  Al  Al148  1  0.846490  0.647539  0.721887  1
  Al  Al149  1  0.734606  0.295732  0.634761  1
  Al  Al150  1  0.731070  0.932461  0.663403  1
  Al  Al151  1  0.736343  0.790565  0.632609  1
  Al  Al152  1  0.648056  0.435167  0.661223  1
  Al  Al153  1  0.746615  0.073267  0.694057  1
  Al  Al154  1  0.764901  0.610140  0.644477  1
  Al  Al155  1  0.839848  0.253288  0.681246  1
  Al  Al156  1  0.792091  0.885596  0.709202  1
  Al  Al157  1  0.196007  0.581313  0.669720  1
  Al  Al158  1  0.368735  0.243031  0.711376  1
  Al  Al159  1  0.231324  0.952013  0.642368  1
  Al  Al160  1  0.324467  0.405870  0.697878  1
  Al  Al161  1  0.294327  0.040913  0.714352  1
  Al  Al162  1  0.268002  0.770918  0.656577  1
  Al  Al163  1  0.194534  0.724561  0.705857  1
  Al  Al164  1  0.146317  0.457540  0.649866  1
  Al  Al165  1  0.242681  0.090507  0.671980  1
  Al  Al166  1  0.217586  0.557945  0.717611  1
  Al  Al167  1  0.314407  0.265894  0.659122  1
  Al  Al168  1  0.288181  0.909111  0.690353  1
  Al  Al169  1  0.876359  0.479067  0.700381  1
  Al  Al170  1  0.773930  0.112110  0.648380  1
  Al  Al171  1  0.758308  0.750020  0.679286  1
  Al  Al172  1  0.929228  0.703180  0.637650  1
  Al  Al173  1  0.859674  0.353861  0.669703  1
  Al  Al174  1  0.900033  0.982776  0.700307  1
  Al  Al175  1  0.565223  0.525549  0.647485  1
  Al  Al176  1  0.566620  0.170602  0.682817  1
  Al  Al177  1  0.528019  0.803303  0.712448  1
  Al  Al178  1  0.704879  0.572616  0.692056  1
  Al  Al179  1  0.058207  0.158822  0.706159  1
  Al  Al180  1  0.081616  0.860935  0.650385  1
  Ni  Ni181  1  0.407232  0.957943  0.345505  1
  Ni  Ni182  1  0.646607  0.660318  0.299501  1
  Ni  Ni183  1  0.428192  0.317769  0.314944  1
  Ni  Ni184  1  0.925512  0.977005  0.323619  1
  Ni  Ni185  1  0.936351  0.616249  0.356450  1
  Ni  Ni186  1  0.942489  0.338684  0.295308  1
  Ni  Ni187  1  0.661109  0.797148  0.332826  1
  Ni  Ni188  1  0.645000  0.519364  0.283369  1
  Ni  Ni189  1  0.592798  0.156311  0.308982  1
  Ni  Ni190  1  0.788235  0.839913  0.292039  1
  Ni  Ni191  1  0.094005  0.498128  0.305934  1
  Ni  Ni192  1  0.094797  0.137030  0.328415  1
  Ni  Ni193  1  0.417955  0.878083  0.433991  1
  Ni  Ni194  1  0.425019  0.595950  0.379421  1
  Ni  Ni195  1  0.419298  0.237633  0.404873  1
  Ni  Ni196  1  0.916692  0.896746  0.412177  1
  Ni  Ni197  1  0.920978  0.537835  0.444204  1
  Ni  Ni198  1  0.920258  0.256958  0.383040  1
  Ni  Ni199  1  0.591010  0.718487  0.430000  1
  Ni  Ni200  1  0.597994  0.436992  0.368250  1
  Ni  Ni201  1  0.594936  0.077262  0.398307  1
  Ni  Ni202  1  0.101874  0.774651  0.358205  1
  Ni  Ni203  1  0.097762  0.416574  0.390445  1
  Ni  Ni204  1  0.093236  0.057928  0.420167  1
  Ni  Ni205  1  0.417641  0.801430  0.526502  1
  Ni  Ni206  1  0.420816  0.518314  0.466315  1
  Ni  Ni207  1  0.419595  0.159316  0.496479  1
  Ni  Ni208  1  0.917800  0.820514  0.504501  1
  Ni  Ni209  1  0.920794  0.458799  0.533542  1
  Ni  Ni210  1  0.919749  0.178487  0.474621  1
  Ni  Ni211  1  0.593745  0.640296  0.519236  1
  Ni  Ni212  1  0.596919  0.357180  0.459048  1
  Ni  Ni213  1  0.594965  0.999294  0.489071  1
  Ni  Ni214  1  0.093767  0.699811  0.452008  1
  Ni  Ni215  1  0.096761  0.338096  0.481049  1
  Ni  Ni216  1  0.094811  0.980123  0.510930  1
  Ni  Ni217  1  0.416566  0.721618  0.617301  1
  Ni  Ni218  1  0.423550  0.440123  0.555550  1
  Ni  Ni219  1  0.419624  0.081348  0.587244  1
  Ni  Ni220  1  0.916798  0.742036  0.595105  1
  Ni  Ni221  1  0.912687  0.383959  0.627345  1
  Ni  Ni222  1  0.921325  0.100682  0.565383  1
  Ni  Ni223  1  0.589541  0.562660  0.606130  1
  Ni  Ni224  1  0.596605  0.280527  0.551559  1
  Ni  Ni225  1  0.595263  0.920977  0.580677  1
  Ni  Ni226  1  0.093582  0.620775  0.541346  1
  Ni  Ni227  1  0.097868  0.261865  0.573373  1
  Ni  Ni228  1  0.094302  0.901652  0.602510  1
  Ni  Ni229  1  0.369560  0.639246  0.702181  1
  Ni  Ni230  1  0.353451  0.361462  0.652724  1
  Ni  Ni231  1  0.421763  0.002299  0.676568  1
  Ni  Ni232  1  0.920556  0.660482  0.679616  1
  Ni  Ni233  1  0.226325  0.318697  0.693511  1
  Ni  Ni234  1  0.919763  0.021580  0.657136  1
  Ni  Ni235  1  0.367954  0.498292  0.686050  1
  Ni  Ni236  1  0.607328  0.200667  0.640045  1
  Ni  Ni237  1  0.586368  0.840841  0.670606  1
  Ni  Ni238  1  0.078209  0.542361  0.629100  1
  Ni  Ni239  1  0.089049  0.181605  0.661931  1
  Ni  Ni240  1  0.072071  0.819926  0.690242  1
