# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.37521075
_cell_length_b   21.62930932
_cell_length_c   48.23357791
_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   7694.25481891
_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  0.751691  0.995344  0.297664  1
  Al  Al2  1  0.751691  0.634765  0.327045  1
  Al  Al3  1  0.751691  0.264680  0.355427  1
  Al  Al4  1  0.554334  0.906534  0.334031  1
  Al  Al5  1  0.552408  0.646978  0.275842  1
  Al  Al6  1  0.558258  0.270124  0.301025  1
  Al  Al7  1  0.949048  0.906534  0.334031  1
  Al  Al8  1  0.950975  0.646978  0.275842  1
  Al  Al9  1  0.945124  0.270124  0.301025  1
  Al  Al10  1  0.449014  0.918568  0.279247  1
  Al  Al11  1  0.454040  0.549170  0.309210  1
  Al  Al12  1  0.448626  0.183536  0.340001  1
  Al  Al13  1  0.543545  0.747400  0.323438  1
  Al  Al14  1  0.552849  0.379594  0.355204  1
  Al  Al15  1  0.555625  0.116350  0.293403  1
  Al  Al16  1  0.055749  0.658387  0.362413  1
  Al  Al17  1  0.039568  0.394613  0.300042  1
  Al  Al18  1  0.053337  0.028153  0.332522  1
  Al  Al19  1  0.959838  0.747400  0.323438  1
  Al  Al20  1  0.950534  0.379594  0.355204  1
  Al  Al21  1  0.947757  0.116350  0.293403  1
  Al  Al22  1  0.447633  0.658387  0.362413  1
  Al  Al23  1  0.463814  0.394613  0.300042  1
  Al  Al24  1  0.450046  0.028153  0.332522  1
  Al  Al25  1  0.054369  0.918568  0.279247  1
  Al  Al26  1  0.049343  0.549170  0.309210  1
  Al  Al27  1  0.054756  0.183536  0.340001  1
  Al  Al28  1  0.751691  0.838659  0.294346  1
  Al  Al29  1  0.751691  0.468413  0.322842  1
  Al  Al30  1  0.751691  0.101835  0.352049  1
  Al  Al31  1  0.251691  0.661819  0.312266  1
  Al  Al32  1  0.251691  0.297938  0.340691  1
  Al  Al33  1  0.251691  0.031803  0.282435  1
  Al  Al34  1  0.251691  0.832052  0.316080  1
  Al  Al35  1  0.251691  0.460125  0.344313  1
  Al  Al36  1  0.251691  0.198525  0.287834  1
  Al  Al37  1  0.751691  0.895747  0.385711  1
  Al  Al38  1  0.751691  0.529362  0.416172  1
  Al  Al39  1  0.751691  0.162888  0.447008  1
  Al  Al40  1  0.556480  0.802131  0.424137  1
  Al  Al41  1  0.556043  0.537603  0.363286  1
  Al  Al42  1  0.556534  0.169958  0.393984  1
  Al  Al43  1  0.946903  0.802131  0.424137  1
  Al  Al44  1  0.947340  0.537603  0.363286  1
  Al  Al45  1  0.946848  0.169958  0.393984  1
  Al  Al46  1  0.449168  0.815574  0.369977  1
  Al  Al47  1  0.447475  0.449061  0.400352  1
  Al  Al48  1  0.446680  0.081949  0.431372  1
  Al  Al49  1  0.556566  0.646120  0.416470  1
  Al  Al50  1  0.556891  0.278973  0.446787  1
  Al  Al51  1  0.556099  0.012974  0.386444  1
  Al  Al52  1  0.056109  0.556808  0.453180  1
  Al  Al53  1  0.055118  0.291159  0.392598  1
  Al  Al54  1  0.056246  0.923648  0.422937  1
  Al  Al55  1  0.946817  0.646120  0.416470  1
  Al  Al56  1  0.946491  0.278973  0.446787  1
  Al  Al57  1  0.947284  0.012974  0.386444  1
  Al  Al58  1  0.447274  0.556808  0.453180  1
  Al  Al59  1  0.448265  0.291159  0.392598  1
  Al  Al60  1  0.447136  0.923648  0.422937  1
  Al  Al61  1  0.054215  0.815574  0.369977  1
  Al  Al62  1  0.055908  0.449061  0.400352  1
  Al  Al63  1  0.056703  0.081949  0.431372  1
  Al  Al64  1  0.751691  0.734402  0.381132  1
  Al  Al65  1  0.751691  0.367754  0.412146  1
  Al  Al66  1  0.751691  1.000230  0.443194  1
  Al  Al67  1  0.251691  0.565061  0.399881  1
  Al  Al68  1  0.251691  0.197866  0.430760  1
  Al  Al69  1  0.251691  0.932346  0.369863  1
  Al  Al70  1  0.251691  0.726797  0.404183  1
  Al  Al71  1  0.251691  0.359586  0.434492  1
  Al  Al72  1  0.251691  0.094513  0.374183  1
  Al  Al73  1  0.751691  0.795403  0.477298  1
  Al  Al74  1  0.751691  0.427924  0.508023  1
  Al  Al75  1  0.751691  0.060502  0.538631  1
  Al  Al76  1  0.556277  0.700727  0.515794  1
  Al  Al77  1  0.555993  0.435159  0.454655  1
  Al  Al78  1  0.556318  0.068301  0.485486  1
  Al  Al79  1  0.947106  0.700727  0.515794  1
  Al  Al80  1  0.947389  0.435159  0.454655  1
  Al  Al81  1  0.947064  0.068301  0.485486  1
  Al  Al82  1  0.446528  0.714280  0.461657  1
  Al  Al83  1  0.446757  0.347070  0.492163  1
  Al  Al84  1  0.446471  0.979424  0.522466  1
  Al  Al85  1  0.556626  0.543678  0.507409  1
  Al  Al86  1  0.556855  0.176468  0.537914  1
  Al  Al87  1  0.556912  0.911323  0.477106  1
  Al  Al88  1  0.055993  0.455589  0.544917  1
  Al  Al89  1  0.056277  0.190021  0.483778  1
  Al  Al90  1  0.056318  0.822447  0.514086  1
  Al  Al91  1  0.946757  0.543678  0.507409  1
  Al  Al92  1  0.946528  0.176468  0.537914  1
  Al  Al93  1  0.946471  0.911323  0.477106  1
  Al  Al94  1  0.447389  0.455589  0.544917  1
  Al  Al95  1  0.447106  0.190021  0.483778  1
  Al  Al96  1  0.447064  0.822447  0.514086  1
  Al  Al97  1  0.056855  0.714280  0.461657  1
  Al  Al98  1  0.056626  0.347070  0.492163  1
  Al  Al99  1  0.056912  0.979424  0.522466  1
  Al  Al100  1  0.751691  0.632830  0.473549  1
  Al  Al101  1  0.751691  0.266008  0.504141  1
  Al  Al102  1  0.751691  0.898492  0.534533  1
  Al  Al103  1  0.251691  0.462823  0.491549  1
  Al  Al104  1  0.251691  0.095344  0.522274  1
  Al  Al105  1  0.251691  0.830246  0.460941  1
  Al  Al106  1  0.251691  0.624740  0.495431  1
  Al  Al107  1  0.251691  0.257917  0.526023  1
  Al  Al108  1  0.251691  0.992255  0.465039  1
  Al  Al109  1  0.751691  0.692881  0.568811  1
  Al  Al110  1  0.751691  0.325686  0.599691  1
  Al  Al111  1  0.751691  0.958402  0.629709  1
  Al  Al112  1  0.555118  0.599589  0.606974  1
  Al  Al113  1  0.556109  0.333940  0.546392  1
  Al  Al114  1  0.556246  0.967100  0.576635  1
  Al  Al115  1  0.948265  0.599589  0.606974  1
  Al  Al116  1  0.947274  0.333940  0.546392  1
  Al  Al117  1  0.947136  0.967100  0.576635  1
  Al  Al118  1  0.446491  0.611774  0.552784  1
  Al  Al119  1  0.446817  0.244628  0.583102  1
  Al  Al120  1  0.447284  0.877774  0.613128  1
  Al  Al121  1  0.555908  0.441686  0.599220  1
  Al  Al122  1  0.554215  0.075173  0.629594  1
  Al  Al123  1  0.556703  0.808799  0.568200  1
  Al  Al124  1  0.056043  0.353144  0.636286  1
  Al  Al125  1  0.056480  0.088616  0.575435  1
  Al  Al126  1  0.056534  0.720790  0.605588  1
  Al  Al127  1  0.947475  0.441686  0.599220  1
  Al  Al128  1  0.949168  0.075173  0.629594  1
  Al  Al129  1  0.946680  0.808799  0.568200  1
  Al  Al130  1  0.447340  0.353144  0.636286  1
  Al  Al131  1  0.446903  0.088616  0.575435  1
  Al  Al132  1  0.446848  0.720790  0.605588  1
  Al  Al133  1  0.056891  0.611774  0.552784  1
  Al  Al134  1  0.056566  0.244628  0.583102  1
  Al  Al135  1  0.056099  0.877774  0.613128  1
  Al  Al136  1  0.751691  0.531162  0.565080  1
  Al  Al137  1  0.751691  0.163951  0.595389  1
  Al  Al138  1  0.751691  0.796234  0.625389  1
  Al  Al139  1  0.251691  0.361385  0.583400  1
  Al  Al140  1  0.251691  0.995001  0.613860  1
  Al  Al141  1  0.251691  0.727859  0.552564  1
  Al  Al142  1  0.251691  0.522993  0.587425  1
  Al  Al143  1  0.251691  0.156345  0.618440  1
  Al  Al144  1  0.251691  0.890517  0.556378  1
  Al  Al145  1  0.751691  0.592809  0.658881  1
  Al  Al146  1  0.751691  0.228929  0.687306  1
  Al  Al147  1  0.751691  0.858944  0.717137  1
  Al  Al148  1  0.539568  0.496134  0.699529  1
  Al  Al149  1  0.555749  0.232361  0.637159  1
  Al  Al150  1  0.553337  0.862595  0.667050  1
  Al  Al151  1  0.963814  0.496134  0.699529  1
  Al  Al152  1  0.947633  0.232361  0.637159  1
  Al  Al153  1  0.950046  0.862595  0.667050  1
  Al  Al154  1  0.450534  0.511154  0.644368  1
  Al  Al155  1  0.459838  0.143348  0.676134  1
  Al  Al156  1  0.447757  0.774397  0.706169  1
  Al  Al157  1  0.549343  0.341577  0.690362  1
  Al  Al158  1  0.554369  0.972180  0.720325  1
  Al  Al159  1  0.554756  0.707211  0.659571  1
  Al  Al160  1  0.052408  0.243770  0.723730  1
  Al  Al161  1  0.054334  0.984214  0.665540  1
  Al  Al162  1  0.058258  0.620623  0.698547  1
  Al  Al163  1  0.954040  0.341577  0.690362  1
  Al  Al164  1  0.949014  0.972180  0.720325  1
  Al  Al165  1  0.948626  0.707211  0.659571  1
  Al  Al166  1  0.450975  0.243770  0.723730  1
  Al  Al167  1  0.449048  0.984214  0.665540  1
  Al  Al168  1  0.445124  0.620623  0.698547  1
  Al  Al169  1  0.052849  0.511154  0.644368  1
  Al  Al170  1  0.043545  0.143348  0.676134  1
  Al  Al171  1  0.055625  0.774397  0.706169  1
  Al  Al172  1  0.751691  0.430623  0.655259  1
  Al  Al173  1  0.751691  0.058696  0.683492  1
  Al  Al174  1  0.751691  0.692222  0.711738  1
  Al  Al175  1  0.251691  0.255983  0.672527  1
  Al  Al176  1  0.251691  0.895403  0.701908  1
  Al  Al177  1  0.251691  0.626067  0.644145  1
  Al  Al178  1  0.251691  0.422335  0.676730  1
  Al  Al179  1  0.251691  0.052088  0.705225  1
  Al  Al180  1  0.251691  0.788912  0.647523  1
  Ni  Ni181  1  0.751691  0.727619  0.287693  1
  Ni  Ni182  1  0.751691  0.351723  0.317910  1
  Ni  Ni183  1  0.751691  0.988876  0.348116  1
  Ni  Ni184  1  0.751691  0.819540  0.346114  1
  Ni  Ni185  1  0.751691  0.560309  0.289726  1
  Ni  Ni186  1  0.751691  0.187464  0.318579  1
  Ni  Ni187  1  0.251691  0.945113  0.317857  1
  Ni  Ni188  1  0.251691  0.573665  0.347474  1
  Ni  Ni189  1  0.251691  0.311403  0.291326  1
  Ni  Ni190  1  0.251691  0.741831  0.348198  1
  Ni  Ni191  1  0.251691  0.474065  0.293471  1
  Ni  Ni192  1  0.251691  0.109744  0.318158  1
  Ni  Ni193  1  0.751691  0.620660  0.377990  1
  Ni  Ni194  1  0.751691  0.254165  0.407742  1
  Ni  Ni195  1  0.751691  0.886581  0.437961  1
  Ni  Ni196  1  0.751691  0.719344  0.439444  1
  Ni  Ni197  1  0.751691  0.453540  0.377376  1
  Ni  Ni198  1  0.751691  0.086800  0.409015  1
  Ni  Ni199  1  0.251691  0.839917  0.408717  1
  Ni  Ni200  1  0.251691  0.472789  0.439368  1
  Ni  Ni201  1  0.251691  0.207623  0.378680  1
  Ni  Ni202  1  0.251691  0.640443  0.438519  1
  Ni  Ni203  1  0.251691  0.374366  0.378471  1
  Ni  Ni204  1  0.251691  0.007693  0.408526  1
  Ni  Ni205  1  0.751691  0.519412  0.468326  1
  Ni  Ni206  1  0.751691  0.152739  0.498877  1
  Ni  Ni207  1  0.751691  0.785211  0.529163  1
  Ni  Ni208  1  0.751691  0.617139  0.530574  1
  Ni  Ni209  1  0.751691  0.352313  0.469885  1
  Ni  Ni210  1  0.751691  0.984839  0.500320  1
  Ni  Ni211  1  0.251691  0.738008  0.500695  1
  Ni  Ni212  1  0.251691  0.371336  0.531246  1
  Ni  Ni213  1  0.251691  0.105537  0.470409  1
  Ni  Ni214  1  0.251691  0.538434  0.529687  1
  Ni  Ni215  1  0.251691  0.273609  0.468997  1
  Ni  Ni216  1  0.251691  0.905909  0.499251  1
  Ni  Ni217  1  0.751691  0.417959  0.560204  1
  Ni  Ni218  1  0.751691  0.050831  0.590855  1
  Ni  Ni219  1  0.751691  0.683125  0.620892  1
  Ni  Ni220  1  0.751691  0.516382  0.621100  1
  Ni  Ni221  1  0.751691  0.250304  0.561053  1
  Ni  Ni222  1  0.751691  0.883055  0.591046  1
  Ni  Ni223  1  0.251691  0.636583  0.591829  1
  Ni  Ni224  1  0.251691  0.270087  0.621581  1
  Ni  Ni225  1  0.251691  0.004166  0.561611  1
  Ni  Ni226  1  0.251691  0.437207  0.622195  1
  Ni  Ni227  1  0.251691  0.171404  0.560128  1
  Ni  Ni228  1  0.251691  0.803948  0.590557  1
  Ni  Ni229  1  0.751691  0.317082  0.652098  1
  Ni  Ni230  1  0.751691  0.945635  0.681715  1
  Ni  Ni231  1  0.751691  0.579345  0.708246  1
  Ni  Ni232  1  0.751691  0.416682  0.706101  1
  Ni  Ni233  1  0.751691  0.148916  0.651374  1
  Ni  Ni234  1  0.751691  0.781004  0.681414  1
  Ni  Ni235  1  0.251691  0.539025  0.681662  1
  Ni  Ni236  1  0.251691  0.163128  0.711879  1
  Ni  Ni237  1  0.251691  0.901872  0.651456  1
  Ni  Ni238  1  0.251691  0.330439  0.709846  1
  Ni  Ni239  1  0.251691  0.071207  0.653458  1
  Ni  Ni240  1  0.251691  0.703283  0.680993  1
