# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   15.77962768
_cell_length_b   12.47141467
_cell_length_c   49.28296098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   60.97129388
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   8480.23408536
_cell_formula_units_Z   64
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  0.847205  0.031599  0.382799  1
  Al  Al2  1  0.347205  0.031599  0.382799  1
  Al  Al3  1  0.939787  0.260711  0.325407  1
  Al  Al4  1  0.439787  0.260711  0.325407  1
  Al  Al5  1  0.028266  0.510051  0.334735  1
  Al  Al6  1  0.528266  0.510051  0.334735  1
  Al  Al7  1  0.919615  0.230396  0.383583  1
  Al  Al8  1  0.419615  0.230396  0.383583  1
  Al  Al9  1  0.118758  0.247125  0.278734  1
  Al  Al10  1  0.618758  0.247125  0.278734  1
  Al  Al11  1  0.996642  0.028627  0.343855  1
  Al  Al12  1  0.496642  0.028627  0.343855  1
  Al  Al13  1  0.118272  0.626537  0.312662  1
  Al  Al14  1  0.618272  0.626537  0.312662  1
  Al  Al15  1  0.008987  0.365758  0.373362  1
  Al  Al16  1  0.508987  0.365758  0.373362  1
  Al  Al17  1  0.233817  0.413287  0.342719  1
  Al  Al18  1  0.733817  0.413287  0.342719  1
  Al  Al19  1  0.365930  0.638627  0.294158  1
  Al  Al20  1  0.865930  0.638627  0.294158  1
  Al  Al21  1  0.250351  0.751512  0.381232  1
  Al  Al22  1  0.750351  0.751512  0.381232  1
  Al  Al23  1  0.339776  0.005818  0.323131  1
  Al  Al24  1  0.839776  0.005818  0.323131  1
  Al  Al25  1  0.300886  0.221210  0.297148  1
  Al  Al26  1  0.800886  0.221210  0.297148  1
  Al  Al27  1  0.227432  0.953102  0.355216  1
  Al  Al28  1  0.727432  0.953102  0.355216  1
  Al  Al29  1  0.342041  0.528362  0.337926  1
  Al  Al30  1  0.842041  0.528362  0.337926  1
  Al  Al31  1  0.438297  0.804849  0.282430  1
  Al  Al32  1  0.938297  0.804849  0.282430  1
  Al  Al33  1  0.033953  0.818190  0.367834  1
  Al  Al34  1  0.533953  0.818190  0.367834  1
  Al  Al35  1  0.124908  0.059528  0.309855  1
  Al  Al36  1  0.624908  0.059528  0.309855  1
  Al  Al37  1  0.303671  0.443191  0.290408  1
  Al  Al38  1  0.803671  0.443191  0.290408  1
  Al  Al39  1  0.152012  0.250748  0.333927  1
  Al  Al40  1  0.652012  0.250748  0.333927  1
  Al  Al41  1  0.478408  0.018283  0.287835  1
  Al  Al42  1  0.978408  0.018283  0.287835  1
  Al  Al43  1  0.411564  0.751275  0.339188  1
  Al  Al44  1  0.911564  0.751275  0.339188  1
  Al  Al45  1  0.084356  0.545214  0.384452  1
  Al  Al46  1  0.584356  0.545214  0.384452  1
  Al  Al47  1  0.187545  0.783365  0.327508  1
  Al  Al48  1  0.687545  0.783365  0.327508  1
  Al  Al49  1  0.650659  0.537464  0.494847  1
  Al  Al50  1  0.150659  0.537464  0.494847  1
  Al  Al51  1  0.748573  0.787107  0.439211  1
  Al  Al52  1  0.248573  0.787107  0.439211  1
  Al  Al53  1  0.826877  0.983890  0.441266  1
  Al  Al54  1  0.326877  0.983890  0.441266  1
  Al  Al55  1  0.729746  0.736164  0.497273  1
  Al  Al56  1  0.229746  0.736164  0.497273  1
  Al  Al57  1  0.906012  0.777336  0.396259  1
  Al  Al58  1  0.406012  0.777336  0.396259  1
  Al  Al59  1  0.810725  0.524785  0.450690  1
  Al  Al60  1  0.310725  0.524785  0.450690  1
  Al  Al61  1  0.916560  0.115696  0.430808  1
  Al  Al62  1  0.416560  0.115696  0.430808  1
  Al  Al63  1  0.819286  0.867441  0.486574  1
  Al  Al64  1  0.319286  0.867441  0.486574  1
  Al  Al65  1  0.050531  0.913970  0.457554  1
  Al  Al66  1  0.550531  0.913970  0.457554  1
  Al  Al67  1  0.145499  0.163849  0.400648  1
  Al  Al68  1  0.645499  0.163849  0.400648  1
  Al  Al69  1  0.057815  0.254889  0.492818  1
  Al  Al70  1  0.557815  0.254889  0.492818  1
  Al  Al71  1  0.155187  0.500819  0.437456  1
  Al  Al72  1  0.655187  0.500819  0.437456  1
  Al  Al73  1  0.133627  0.701667  0.411388  1
  Al  Al74  1  0.633627  0.701667  0.411388  1
  Al  Al75  1  0.032944  0.455671  0.466609  1
  Al  Al76  1  0.532944  0.455671  0.466609  1
  Al  Al77  1  0.137805  0.048003  0.446241  1
  Al  Al78  1  0.637805  0.048003  0.446241  1
  Al  Al79  1  0.231733  0.297571  0.389708  1
  Al  Al80  1  0.731733  0.297571  0.389708  1
  Al  Al81  1  0.834711  0.323497  0.476804  1
  Al  Al82  1  0.334711  0.323497  0.476804  1
  Al  Al83  1  0.931456  0.572938  0.422034  1
  Al  Al84  1  0.431456  0.572938  0.422034  1
  Al  Al85  1  0.075268  0.986773  0.395238  1
  Al  Al86  1  0.575268  0.986773  0.395238  1
  Al  Al87  1  0.979125  0.735592  0.450703  1
  Al  Al88  1  0.479125  0.735592  0.450703  1
  Al  Al89  1  0.312967  0.489800  0.392442  1
  Al  Al90  1  0.812967  0.489800  0.392442  1
  Al  Al91  1  0.216300  0.242661  0.448380  1
  Al  Al92  1  0.716300  0.242661  0.448380  1
  Al  Al93  1  0.890078  0.045439  0.493449  1
  Al  Al94  1  0.390078  0.045439  0.493449  1
  Al  Al95  1  0.986025  0.292930  0.437348  1
  Al  Al96  1  0.486025  0.292930  0.437348  1
  Al  Al97  1  0.458146  0.043111  0.607015  1
  Al  Al98  1  0.958146  0.043111  0.607015  1
  Al  Al99  1  0.554814  0.290250  0.551078  1
  Al  Al100  1  0.054814  0.290250  0.551078  1
  Al  Al101  1  0.633308  0.484909  0.553216  1
  Al  Al102  1  0.133308  0.484909  0.553216  1
  Al  Al103  1  0.539380  0.235340  0.609749  1
  Al  Al104  1  0.039380  0.235340  0.609749  1
  Al  Al105  1  0.713298  0.278023  0.506639  1
  Al  Al106  1  0.213298  0.278023  0.506639  1
  Al  Al107  1  0.615926  0.032092  0.562001  1
  Al  Al108  1  0.115926  0.032092  0.562001  1
  Al  Al109  1  0.720582  0.618941  0.541903  1
  Al  Al110  1  0.220582  0.618941  0.541903  1
  Al  Al111  1  0.625614  0.369062  0.598809  1
  Al  Al112  1  0.125614  0.369062  0.598809  1
  Al  Al113  1  0.854553  0.417215  0.568649  1
  Al  Al114  1  0.354553  0.417215  0.568649  1
  Al  Al115  1  0.951828  0.665471  0.512883  1
  Al  Al116  1  0.451828  0.665471  0.512883  1
  Al  Al117  1  0.865101  0.755575  0.603198  1
  Al  Al118  1  0.365101  0.755575  0.603198  1
  Al  Al119  1  0.960388  0.008127  0.548767  1
  Al  Al120  1  0.460388  0.008127  0.548767  1
  Al  Al121  1  0.936403  0.209414  0.522654  1
  Al  Al122  1  0.436403  0.209414  0.522654  1
  Al  Al123  1  0.839657  0.959973  0.577423  1
  Al  Al124  1  0.339657  0.959973  0.577423  1
  Al  Al125  1  0.944236  0.549021  0.558191  1
  Al  Al126  1  0.444236  0.549021  0.558191  1
  Al  Al127  1  0.041367  0.796747  0.502184  1
  Al  Al128  1  0.541367  0.796747  0.502184  1
  Al  Al129  1  0.637486  0.831244  0.588069  1
  Al  Al130  1  0.137486  0.831244  0.588069  1
  Al  Al131  1  0.738169  0.077241  0.532848  1
  Al  Al132  1  0.238169  0.077241  0.532848  1
  Al  Al133  1  0.881035  0.487472  0.506008  1
  Al  Al134  1  0.381035  0.487472  0.506008  1
  Al  Al135  1  0.785088  0.239981  0.562109  1
  Al  Al136  1  0.285088  0.239981  0.562109  1
  Al  Al137  1  0.120455  0.995447  0.504610  1
  Al  Al138  1  0.620455  0.995447  0.504610  1
  Al  Al139  1  0.022541  0.745804  0.560246  1
  Al  Al140  1  0.522541  0.745804  0.560246  1
  Al  Al141  1  0.695845  0.546139  0.604219  1
  Al  Al142  1  0.195845  0.546139  0.604219  1
  Al  Al143  1  0.791989  0.797320  0.548754  1
  Al  Al144  1  0.291989  0.797320  0.548754  1
  Al  Al145  1  0.292706  0.514628  0.711622  1
  Al  Al146  1  0.792706  0.514628  0.711622  1
  Al  Al147  1  0.359550  0.781636  0.660269  1
  Al  Al148  1  0.859550  0.781636  0.660269  1
  Al  Al149  1  0.429072  0.004549  0.661531  1
  Al  Al150  1  0.929072  0.004549  0.661531  1
  Al  Al151  1  0.332817  0.728062  0.717027  1
  Al  Al152  1  0.832817  0.728062  0.717027  1
  Al  Al153  1  0.520762  0.781400  0.618226  1
  Al  Al154  1  0.020762  0.781400  0.618226  1
  Al  Al155  1  0.431337  0.527094  0.676326  1
  Al  Al156  1  0.931337  0.527094  0.676326  1
  Al  Al157  1  0.537296  0.119624  0.656738  1
  Al  Al158  1  0.037296  0.119624  0.656738  1
  Al  Al159  1  0.405183  0.894284  0.705299  1
  Al  Al160  1  0.905183  0.894284  0.705299  1
  Al  Al161  1  0.652841  0.906375  0.686795  1
  Al  Al162  1  0.152841  0.906375  0.686795  1
  Al  Al163  1  0.762127  0.167153  0.626095  1
  Al  Al164  1  0.262127  0.167153  0.626095  1
  Al  Al165  1  0.652355  0.285786  0.720723  1
  Al  Al166  1  0.152355  0.285786  0.720723  1
  Al  Al167  1  0.774472  0.504284  0.655602  1
  Al  Al168  1  0.274472  0.504284  0.655602  1
  Al  Al169  1  0.737160  0.714722  0.631623  1
  Al  Al170  1  0.237160  0.714722  0.631623  1
  Al  Al171  1  0.646205  0.473384  0.689602  1
  Al  Al172  1  0.146205  0.473384  0.689602  1
  Al  Al173  1  0.742847  0.022860  0.664722  1
  Al  Al174  1  0.242847  0.022860  0.664722  1
  Al  Al175  1  0.851498  0.302515  0.615874  1
  Al  Al176  1  0.351498  0.302515  0.615874  1
  Al  Al177  1  0.470227  0.311701  0.702309  1
  Al  Al178  1  0.970227  0.311701  0.702309  1
  Al  Al179  1  0.543681  0.579809  0.644241  1
  Al  Al180  1  0.043681  0.579809  0.644241  1
  Al  Al181  1  0.686757  0.987697  0.615005  1
  Al  Al182  1  0.186757  0.987697  0.615005  1
  Al  Al183  1  0.583569  0.749547  0.671949  1
  Al  Al184  1  0.083569  0.749547  0.671949  1
  Al  Al185  1  0.923909  0.501313  0.616658  1
  Al  Al186  1  0.423909  0.501313  0.616658  1
  Al  Al187  1  0.831327  0.272200  0.674050  1
  Al  Al188  1  0.331327  0.272200  0.674050  1
  Al  Al189  1  0.467442  0.089721  0.709049  1
  Al  Al190  1  0.967442  0.089721  0.709049  1
  Al  Al191  1  0.619101  0.282164  0.665530  1
  Al  Al192  1  0.119101  0.282164  0.665530  1
  Ni  Ni193  1  0.323775  0.189440  0.347809  1
  Ni  Ni194  1  0.823775  0.189440  0.347809  1
  Ni  Ni195  1  0.477486  0.408588  0.302605  1
  Ni  Ni196  1  0.977486  0.408588  0.302605  1
  Ni  Ni197  1  0.145332  0.415940  0.298635  1
  Ni  Ni198  1  0.645332  0.415940  0.298635  1
  Ni  Ni199  1  0.074657  0.145834  0.358202  1
  Ni  Ni200  1  0.574657  0.145834  0.358202  1
  Ni  Ni201  1  0.015265  0.846719  0.319990  1
  Ni  Ni202  1  0.515265  0.846719  0.319990  1
  Ni  Ni203  1  0.916431  0.592416  0.373146  1
  Ni  Ni204  1  0.416431  0.592416  0.373146  1
  Ni  Ni205  1  0.181517  0.625911  0.360609  1
  Ni  Ni206  1  0.681517  0.625911  0.360609  1
  Ni  Ni207  1  0.279976  0.868640  0.305747  1
  Ni  Ni208  1  0.779976  0.868640  0.305747  1
  Ni  Ni209  1  0.146840  0.689593  0.460914  1
  Ni  Ni210  1  0.646840  0.689593  0.460914  1
  Ni  Ni211  1  0.241898  0.940194  0.404949  1
  Ni  Ni212  1  0.741898  0.940194  0.404949  1
  Ni  Ni213  1  0.978394  0.895439  0.415260  1
  Ni  Ni214  1  0.478394  0.895439  0.415260  1
  Ni  Ni215  1  0.878960  0.647730  0.470317  1
  Ni  Ni216  1  0.378960  0.647730  0.470317  1
  Ni  Ni217  1  0.819270  0.337527  0.426430  1
  Ni  Ni218  1  0.319270  0.337527  0.426430  1
  Ni  Ni219  1  0.722564  0.090957  0.482892  1
  Ni  Ni220  1  0.222564  0.090957  0.482892  1
  Ni  Ni221  1  0.989168  0.133140  0.473701  1
  Ni  Ni222  1  0.489168  0.133140  0.473701  1
  Ni  Ni223  1  0.083791  0.381215  0.417255  1
  Ni  Ni224  1  0.583791  0.381215  0.417255  1
  Ni  Ni225  1  0.951844  0.195385  0.573027  1
  Ni  Ni226  1  0.451844  0.195385  0.573027  1
  Ni  Ni227  1  0.048549  0.441954  0.516565  1
  Ni  Ni228  1  0.548549  0.441954  0.516565  1
  Ni  Ni229  1  0.781945  0.399772  0.525756  1
  Ni  Ni230  1  0.281945  0.399772  0.525756  1
  Ni  Ni231  1  0.687323  0.151697  0.582202  1
  Ni  Ni232  1  0.187323  0.151697  0.582202  1
  Ni  Ni233  1  0.624274  0.843318  0.538543  1
  Ni  Ni234  1  0.124274  0.843318  0.538543  1
  Ni  Ni235  1  0.529216  0.592718  0.594509  1
  Ni  Ni236  1  0.029216  0.592718  0.594509  1
  Ni  Ni237  1  0.792720  0.637473  0.584197  1
  Ni  Ni238  1  0.292720  0.637473  0.584197  1
  Ni  Ni239  1  0.892154  0.885182  0.529140  1
  Ni  Ni240  1  0.392154  0.885182  0.529140  1
  Ni  Ni241  1  0.755849  0.686192  0.679467  1
  Ni  Ni242  1  0.255849  0.686192  0.679467  1
  Ni  Ni243  1  0.854683  0.940495  0.626311  1
  Ni  Ni244  1  0.354683  0.940495  0.626311  1
  Ni  Ni245  1  0.589596  0.907001  0.638848  1
  Ni  Ni246  1  0.089596  0.907001  0.638848  1
  Ni  Ni247  1  0.491138  0.664271  0.693710  1
  Ni  Ni248  1  0.991138  0.664271  0.693710  1
  Ni  Ni249  1  0.447338  0.343471  0.651648  1
  Ni  Ni250  1  0.947338  0.343471  0.651648  1
  Ni  Ni251  1  0.293628  0.124324  0.696852  1
  Ni  Ni252  1  0.793628  0.124324  0.696852  1
  Ni  Ni253  1  0.625781  0.116971  0.700822  1
  Ni  Ni254  1  0.125781  0.116971  0.700822  1
  Ni  Ni255  1  0.696456  0.387078  0.641255  1
  Ni  Ni256  1  0.196456  0.387078  0.641255  1
