# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.29434730
_cell_length_b   12.74570981
_cell_length_c   49.85448531
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   59.97775159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   7864.40402424
_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  0.920765  0.633595  0.283085  1
  Al  Al2  1  0.420765  0.633595  0.283085  1
  Al  Al3  1  0.771557  0.447860  0.337523  1
  Al  Al4  1  0.271557  0.447860  0.337523  1
  Al  Al5  1  0.086331  0.704844  0.297721  1
  Al  Al6  1  0.586331  0.704844  0.297721  1
  Al  Al7  1  0.938690  0.552000  0.377279  1
  Al  Al8  1  0.438690  0.552000  0.377279  1
  Al  Al9  1  0.935964  0.056662  0.379444  1
  Al  Al10  1  0.435964  0.056662  0.379444  1
  Al  Al11  1  0.071266  0.262406  0.324297  1
  Al  Al12  1  0.571266  0.262406  0.324297  1
  Al  Al13  1  0.882708  0.887150  0.291892  1
  Al  Al14  1  0.382708  0.887150  0.291892  1
  Al  Al15  1  0.748719  0.675884  0.345390  1
  Al  Al16  1  0.248719  0.675884  0.345390  1
  Al  Al17  1  0.092706  0.606082  0.360876  1
  Al  Al18  1  0.592706  0.606082  0.360876  1
  Al  Al19  1  0.219262  0.799997  0.296811  1
  Al  Al20  1  0.719262  0.799997  0.296811  1
  Al  Al21  1  0.052883  0.402341  0.279213  1
  Al  Al22  1  0.552883  0.402341  0.279213  1
  Al  Al23  1  0.912230  0.213786  0.336150  1
  Al  Al24  1  0.412230  0.213786  0.336150  1
  Al  Al25  1  0.234519  0.306293  0.304923  1
  Al  Al26  1  0.734519  0.306293  0.304923  1
  Al  Al27  1  0.089427  0.108479  0.364702  1
  Al  Al28  1  0.589427  0.108479  0.364702  1
  Al  Al29  1  0.910537  0.730344  0.332862  1
  Al  Al30  1  0.410537  0.730344  0.332862  1
  Al  Al31  1  0.015595  0.969170  0.275594  1
  Al  Al32  1  0.515595  0.969170  0.275594  1
  Al  Al33  1  0.756768  0.161290  0.349208  1
  Al  Al34  1  0.256768  0.161290  0.349208  1
  Al  Al35  1  0.890985  0.343301  0.285533  1
  Al  Al36  1  0.390985  0.343301  0.285533  1
  Al  Al37  1  0.809867  0.292571  0.382441  1
  Al  Al38  1  0.309867  0.292571  0.382441  1
  Al  Al39  1  0.940110  0.488658  0.328119  1
  Al  Al40  1  0.440110  0.488658  0.328119  1
  Al  Al41  1  0.076767  0.816410  0.372179  1
  Al  Al42  1  0.576767  0.816410  0.372179  1
  Al  Al43  1  0.213438  0.004852  0.321181  1
  Al  Al44  1  0.713438  0.004852  0.321181  1
  Al  Al45  1  0.199336  0.132721  0.278865  1
  Al  Al46  1  0.699336  0.132721  0.278865  1
  Al  Al47  1  0.050758  0.952333  0.329620  1
  Al  Al48  1  0.550758  0.952333  0.329620  1
  Al  Al49  1  0.641127  0.244907  0.394423  1
  Al  Al50  1  0.141127  0.244907  0.394423  1
  Al  Al51  1  0.511984  0.034998  0.449870  1
  Al  Al52  1  0.011984  0.034998  0.449870  1
  Al  Al53  1  0.810426  0.339216  0.433442  1
  Al  Al54  1  0.310426  0.339216  0.433442  1
  Al  Al55  1  0.681125  0.129569  0.488990  1
  Al  Al56  1  0.181125  0.129569  0.488990  1
  Al  Al57  1  0.677163  0.638136  0.490738  1
  Al  Al58  1  0.177163  0.638136  0.490738  1
  Al  Al59  1  0.806851  0.847442  0.434777  1
  Al  Al60  1  0.306851  0.847442  0.434777  1
  Al  Al61  1  0.625780  0.462803  0.404854  1
  Al  Al62  1  0.125780  0.462803  0.404854  1
  Al  Al63  1  0.496281  0.251728  0.460770  1
  Al  Al64  1  0.996281  0.251728  0.460770  1
  Al  Al65  1  0.832771  0.185141  0.474244  1
  Al  Al66  1  0.332771  0.185141  0.474244  1
  Al  Al67  1  0.961336  0.395522  0.418183  1
  Al  Al68  1  0.461336  0.395522  0.418183  1
  Al  Al69  1  0.781554  0.005855  0.389778  1
  Al  Al70  1  0.281554  0.005855  0.389778  1
  Al  Al71  1  0.653509  0.796661  0.444088  1
  Al  Al72  1  0.153509  0.796661  0.444088  1
  Al  Al73  1  0.959344  0.902367  0.420197  1
  Al  Al74  1  0.459344  0.902367  0.420197  1
  Al  Al75  1  0.828949  0.693585  0.475835  1
  Al  Al76  1  0.328949  0.693585  0.475835  1
  Al  Al77  1  0.647856  0.307349  0.446065  1
  Al  Al78  1  0.147856  0.307349  0.446065  1
  Al  Al79  1  0.776499  0.519255  0.389380  1
  Al  Al80  1  0.276499  0.519255  0.389380  1
  Al  Al81  1  0.500953  0.741952  0.458877  1
  Al  Al82  1  1.000953  0.741952  0.458877  1
  Al  Al83  1  0.627747  0.950947  0.404016  1
  Al  Al84  1  0.127747  0.950947  0.404016  1
  Al  Al85  1  0.551739  0.871853  0.493033  1
  Al  Al86  1  0.051739  0.871853  0.493033  1
  Al  Al87  1  0.680334  0.081789  0.437735  1
  Al  Al88  1  0.180334  0.081789  0.437735  1
  Al  Al89  1  0.817184  0.401212  0.485357  1
  Al  Al90  1  0.317184  0.401212  0.485357  1
  Al  Al91  1  0.946486  0.610679  0.429335  1
  Al  Al92  1  0.446486  0.610679  0.429335  1
  Al  Al93  1  0.910559  0.771856  0.385242  1
  Al  Al94  1  0.410559  0.771856  0.385242  1
  Al  Al95  1  0.777854  0.563629  0.441520  1
  Al  Al96  1  0.277854  0.563629  0.441520  1
  Al  Al97  1  0.383105  0.825296  0.505294  1
  Al  Al98  1  0.883105  0.825296  0.505294  1
  Al  Al99  1  0.253804  0.615829  0.561316  1
  Al  Al100  1  0.753804  0.615829  0.561316  1
  Al  Al101  1  0.552434  0.919158  0.544586  1
  Al  Al102  1  0.052434  0.919158  0.544586  1
  Al  Al103  1  0.423791  0.707253  0.601271  1
  Al  Al104  1  0.923791  0.707253  0.601271  1
  Al  Al105  1  0.418736  0.220653  0.600872  1
  Al  Al106  1  0.918736  0.220653  0.600872  1
  Al  Al107  1  0.546781  0.429847  0.546563  1
  Al  Al108  1  0.046781  0.429847  0.546563  1
  Al  Al109  1  0.367519  0.041367  0.516407  1
  Al  Al110  1  0.867519  0.041367  0.516407  1
  Al  Al111  1  0.238954  0.830986  0.572468  1
  Al  Al112  1  0.738954  0.830986  0.572468  1
  Al  Al113  1  0.574510  0.763705  0.585796  1
  Al  Al114  1  0.074510  0.763705  0.585796  1
  Al  Al115  1  0.704009  0.974780  0.529881  1
  Al  Al116  1  0.204009  0.974780  0.529881  1
  Al  Al117  1  0.523127  0.588372  0.499913  1
  Al  Al118  1  0.023127  0.588372  0.499913  1
  Al  Al119  1  0.393439  0.379066  0.555874  1
  Al  Al120  1  0.893439  0.379066  0.555874  1
  Al  Al121  1  0.699337  0.484556  0.531774  1
  Al  Al122  1  0.199337  0.484556  0.531774  1
  Al  Al123  1  0.572543  0.275561  0.586635  1
  Al  Al124  1  0.072543  0.275561  0.586635  1
  Al  Al125  1  0.389864  0.887292  0.557209  1
  Al  Al126  1  0.889864  0.887292  0.557209  1
  Al  Al127  1  0.519165  0.096939  0.501661  1
  Al  Al128  1  0.019165  0.096939  0.501661  1
  Al  Al129  1  0.240946  0.324141  0.570454  1
  Al  Al130  1  0.740946  0.324141  0.570454  1
  Al  Al131  1  0.371341  0.532923  0.514816  1
  Al  Al132  1  0.871341  0.532923  0.514816  1
  Al  Al133  1  0.289731  0.454652  0.605409  1
  Al  Al134  1  0.789731  0.454652  0.605409  1
  Al  Al135  1  0.422436  0.662879  0.549131  1
  Al  Al136  1  0.922436  0.662879  0.549131  1
  Al  Al137  1  0.559163  0.981601  0.596228  1
  Al  Al138  1  0.059163  0.981601  0.596228  1
  Al  Al139  1  0.688306  0.191509  0.540781  1
  Al  Al140  1  0.188306  0.191509  0.540781  1
  Al  Al141  1  0.648551  0.354655  0.497618  1
  Al  Al142  1  0.148551  0.354655  0.497618  1
  Al  Al143  1  0.519956  0.144719  0.552916  1
  Al  Al144  1  0.019956  0.144719  0.552916  1
  Al  Al145  1  0.123523  0.410098  0.618472  1
  Al  Al146  1  0.623523  0.410098  0.618472  1
  Al  Al147  1  0.986852  0.221656  0.669470  1
  Al  Al148  1  0.486852  0.221656  0.669470  1
  Al  Al149  1  0.289753  0.496164  0.657789  1
  Al  Al150  1  0.789753  0.496164  0.657789  1
  Al  Al151  1  0.184695  0.257338  0.715057  1
  Al  Al152  1  0.684695  0.257338  0.715057  1
  Al  Al153  1  0.147406  0.824167  0.711438  1
  Al  Al154  1  0.647406  0.824167  0.711438  1
  Al  Al155  1  0.288060  0.012722  0.654501  1
  Al  Al156  1  0.788060  0.012722  0.654501  1
  Al  Al157  1  0.107584  0.620426  0.629775  1
  Al  Al158  1  0.607584  0.620426  0.629775  1
  Al  Al159  1  0.981028  0.426511  0.693840  1
  Al  Al160  1  0.481028  0.426511  0.693840  1
  Al  Al161  1  0.317582  0.339358  0.698759  1
  Al  Al162  1  0.817582  0.339358  0.698759  1
  Al  Al163  1  0.451571  0.550624  0.645261  1
  Al  Al164  1  0.951571  0.550624  0.645261  1
  Al  Al165  1  0.264326  0.169846  0.611207  1
  Al  Al166  1  0.764326  0.169846  0.611207  1
  Al  Al167  1  0.129024  0.964102  0.666354  1
  Al  Al168  1  0.629024  0.964102  0.666354  1
  Al  Al169  1  0.443522  0.065218  0.641443  1
  Al  Al170  1  0.943522  0.065218  0.641443  1
  Al  Al171  1  0.309305  0.883207  0.705118  1
  Al  Al172  1  0.809305  0.883207  0.705118  1
  Al  Al173  1  0.113959  0.521664  0.692930  1
  Al  Al174  1  0.613959  0.521664  0.692930  1
  Al  Al175  1  0.261600  0.674508  0.613372  1
  Al  Al176  1  0.761600  0.674508  0.613372  1
  Al  Al177  1  0.965771  0.920214  0.685728  1
  Al  Al178  1  0.465771  0.920214  0.685728  1
  Al  Al179  1  0.110863  0.118029  0.625949  1
  Al  Al180  1  0.610863  0.118029  0.625949  1
  Al  Al181  1  1.000954  0.093787  0.711786  1
  Al  Al182  1  0.500954  0.093787  0.711786  1
  Al  Al183  1  0.149532  0.274175  0.661031  1
  Al  Al184  1  0.649532  0.274175  0.661031  1
  Al  Al185  1  0.279525  0.592913  0.707566  1
  Al  Al186  1  0.779525  0.592913  0.707566  1
  Al  Al187  1  0.428733  0.778647  0.653128  1
  Al  Al188  1  0.928733  0.778647  0.653128  1
  Al  Al189  1  0.390423  0.933936  0.608210  1
  Al  Al190  1  0.890423  0.933936  0.608210  1
  Al  Al191  1  0.260180  0.737850  0.662532  1
  Al  Al192  1  0.760180  0.737850  0.662532  1
  Ni  Ni193  1  0.089608  0.523310  0.314901  1
  Ni  Ni194  1  0.589608  0.523310  0.314901  1
  Ni  Ni195  1  0.960568  0.342708  0.367889  1
  Ni  Ni196  1  0.460568  0.342708  0.367889  1
  Ni  Ni197  1  0.280251  0.569608  0.299139  1
  Ni  Ni198  1  0.780251  0.569608  0.299139  1
  Ni  Ni199  1  0.120675  0.390393  0.354677  1
  Ni  Ni200  1  0.620675  0.390393  0.354677  1
  Ni  Ni201  1  0.890751  0.930433  0.345460  1
  Ni  Ni202  1  0.390751  0.930433  0.345460  1
  Ni  Ni203  1  0.031748  0.124089  0.297881  1
  Ni  Ni204  1  0.531748  0.124089  0.297881  1
  Ni  Ni205  1  0.731532  0.873490  0.359909  1
  Ni  Ni206  1  0.231532  0.873490  0.359909  1
  Ni  Ni207  1  0.867738  0.080312  0.307960  1
  Ni  Ni208  1  0.367738  0.080312  0.307960  1
  Ni  Ni209  1  0.830222  0.133182  0.423858  1
  Ni  Ni210  1  0.330222  0.133182  0.423858  1
  Ni  Ni211  1  0.701146  0.923504  0.479382  1
  Ni  Ni212  1  0.201146  0.923504  0.479382  1
  Ni  Ni213  1  0.988125  0.184678  0.409766  1
  Ni  Ni214  1  0.488125  0.184678  0.409766  1
  Ni  Ni215  1  0.858218  0.975153  0.465381  1
  Ni  Ni216  1  0.358218  0.975153  0.465381  1
  Ni  Ni217  1  0.628416  0.512748  0.455443  1
  Ni  Ni218  1  0.128416  0.512748  0.455443  1
  Ni  Ni219  1  0.758017  0.722568  0.398942  1
  Ni  Ni220  1  0.258017  0.722568  0.398942  1
  Ni  Ni221  1  0.470989  0.461213  0.469524  1
  Ni  Ni222  1  0.970989  0.461213  0.469524  1
  Ni  Ni223  1  0.600727  0.671353  0.413437  1
  Ni  Ni224  1  0.100727  0.671353  0.413437  1
  Ni  Ni225  1  0.571874  0.713760  0.535208  1
  Ni  Ni226  1  0.071874  0.713760  0.535208  1
  Ni  Ni227  1  0.442273  0.503940  0.591709  1
  Ni  Ni228  1  0.942273  0.503940  0.591709  1
  Ni  Ni229  1  0.729300  0.765295  0.521127  1
  Ni  Ni230  1  0.229300  0.765295  0.521127  1
  Ni  Ni231  1  0.599563  0.555155  0.577214  1
  Ni  Ni232  1  0.099563  0.555155  0.577214  1
  Ni  Ni233  1  0.370068  0.093326  0.566793  1
  Ni  Ni234  1  0.870068  0.093326  0.566793  1
  Ni  Ni235  1  0.499144  0.303004  0.511269  1
  Ni  Ni236  1  0.999144  0.303004  0.511269  1
  Ni  Ni237  1  0.212165  0.041830  0.580885  1
  Ni  Ni238  1  0.712165  0.041830  0.580885  1
  Ni  Ni239  1  0.342071  0.251355  0.525270  1
  Ni  Ni240  1  0.842071  0.251355  0.525270  1
  Ni  Ni241  1  0.309539  0.296075  0.645191  1
  Ni  Ni242  1  0.809539  0.296075  0.645191  1
  Ni  Ni243  1  0.168542  0.102419  0.692770  1
  Ni  Ni244  1  0.668542  0.102419  0.692770  1
  Ni  Ni245  1  0.468758  0.353018  0.630742  1
  Ni  Ni246  1  0.968758  0.353018  0.630742  1
  Ni  Ni247  1  0.332552  0.146196  0.682691  1
  Ni  Ni248  1  0.832552  0.146196  0.682691  1
  Ni  Ni249  1  0.110682  0.703198  0.675750  1
  Ni  Ni250  1  0.610682  0.703198  0.675750  1
  Ni  Ni251  1  0.239722  0.883800  0.622762  1
  Ni  Ni252  1  0.739722  0.883800  0.622762  1
  Ni  Ni253  1  0.920039  0.656900  0.691512  1
  Ni  Ni254  1  0.420039  0.656900  0.691512  1
  Ni  Ni255  1  0.079614  0.836115  0.635974  1
  Ni  Ni256  1  0.579614  0.836115  0.635974  1
