# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.09127700
_cell_length_b   9.20257664
_cell_length_c   51.58533657
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.71010475
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6094.40627395
_cell_formula_units_Z   48
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  0.603032  0.169421  0.320038  1
  Al  Al2  1  0.148940  0.321690  0.278418  1
  Al  Al3  1  0.731002  0.486670  0.299566  1
  Al  Al4  1  0.166466  0.333093  0.334022  1
  Al  Al5  1  0.659321  0.886809  0.341449  1
  Al  Al6  1  0.210055  0.020278  0.298923  1
  Al  Al7  1  0.823861  0.654212  0.268138  1
  Al  Al8  1  0.276543  0.501142  0.303603  1
  Al  Al9  1  0.955672  0.446731  0.299059  1
  Al  Al10  1  0.410315  0.318138  0.337172  1
  Al  Al11  1  0.018434  0.931078  0.303217  1
  Al  Al12  1  0.611686  0.036608  0.269032  1
  Al  Al13  1  0.999579  0.152757  0.266835  1
  Al  Al14  1  0.447467  0.009521  0.304219  1
  Al  Al15  1  0.060986  0.632169  0.272519  1
  Al  Al16  1  0.528816  0.487373  0.310168  1
  Al  Al17  1  0.780760  0.945497  0.300062  1
  Al  Al18  1  0.231712  0.812277  0.338988  1
  Al  Al19  1  0.854491  0.200838  0.309998  1
  Al  Al20  1  0.460274  0.284788  0.280964  1
  Al  Al21  1  0.079745  0.632118  0.329462  1
  Al  Al22  1  0.607960  0.760029  0.293702  1
  Al  Al23  1  0.822590  0.623288  0.336935  1
  Al  Al24  1  0.378258  0.743706  0.295339  1
  Al  Al25  1  0.507014  0.922790  0.392639  1
  Al  Al26  1  0.059164  0.051380  0.352935  1
  Al  Al27  1  0.614769  0.193473  0.373749  1
  Al  Al28  1  0.067220  0.071898  0.411720  1
  Al  Al29  1  0.556697  0.626759  0.418385  1
  Al  Al30  1  0.110440  0.756627  0.378429  1
  Al  Al31  1  0.718903  0.366384  0.346550  1
  Al  Al32  1  0.171096  0.241275  0.383880  1
  Al  Al33  1  0.862893  0.187940  0.376315  1
  Al  Al34  1  0.309207  0.059107  0.414479  1
  Al  Al35  1  0.924995  0.671322  0.382213  1
  Al  Al36  1  0.472075  0.801125  0.342496  1
  Al  Al37  1  0.905219  0.877470  0.344409  1
  Al  Al38  1  0.352849  0.747421  0.381907  1
  Al  Al39  1  0.965248  0.358611  0.348826  1
  Al  Al40  1  0.412963  0.229972  0.387236  1
  Al  Al41  1  0.678642  0.681264  0.379823  1
  Al  Al42  1  0.127563  0.553575  0.416532  1
  Al  Al43  1  0.762337  0.936789  0.389082  1
  Al  Al44  1  0.305022  0.068984  0.348147  1
  Al  Al45  1  0.975844  0.375105  0.407085  1
  Al  Al46  1  0.521880  0.501335  0.368595  1
  Al  Al47  1  0.719476  0.360990  0.411274  1
  Al  Al48  1  0.271707  0.491671  0.371552  1
  Al  Al49  1  0.406546  0.666914  0.469225  1
  Al  Al50  1  0.956608  0.796914  0.430933  1
  Al  Al51  1  0.514031  0.939887  0.450699  1
  Al  Al52  1  0.964779  0.812857  0.488963  1
  Al  Al53  1  0.456809  0.369359  0.495235  1
  Al  Al54  1  1.008018  0.499487  0.456375  1
  Al  Al55  1  0.619395  0.111190  0.423738  1
  Al  Al56  1  0.069921  0.983468  0.461650  1
  Al  Al57  1  0.760560  0.930206  0.453496  1
  Al  Al58  1  0.209296  0.801631  0.491679  1
  Al  Al59  1  0.822431  0.413424  0.458782  1
  Al  Al60  1  0.371120  0.542956  0.419590  1
  Al  Al61  1  0.803577  0.618313  0.421405  1
  Al  Al62  1  0.251833  0.491279  0.459337  1
  Al  Al63  1  0.865778  0.101070  0.426129  1
  Al  Al64  1  0.313539  0.972240  0.464437  1
  Al  Al65  1  0.576792  0.420637  0.455707  1
  Al  Al66  1  0.026685  0.294513  0.494079  1
  Al  Al67  1  0.659413  0.678774  0.465761  1
  Al  Al68  1  0.208899  0.809607  0.426343  1
  Al  Al69  1  0.873482  0.117473  0.484247  1
  Al  Al70  1  0.421016  0.245564  0.445790  1
  Al  Al71  1  0.619126  0.103684  0.488346  1
  Al  Al72  1  0.170524  0.233862  0.449646  1
  Al  Al73  1  0.307031  0.410002  0.546504  1
  Al  Al74  1  0.854565  0.538093  0.508047  1
  Al  Al75  1  0.414508  0.683326  0.527856  1
  Al  Al76  1  0.862270  0.554497  0.566164  1
  Al  Al77  1  0.356928  0.112611  0.572703  1
  Al  Al78  1  0.905617  0.242142  0.533512  1
  Al  Al79  1  0.518752  0.853936  0.500615  1
  Al  Al80  1  0.967487  0.725360  0.538797  1
  Al  Al81  1  0.658127  0.672098  0.530644  1
  Al  Al82  1  0.108652  0.544377  0.568555  1
  Al  Al83  1  0.720030  0.156080  0.535918  1
  Al  Al84  1  0.271238  0.286208  0.497059  1
  Al  Al85  1  0.701362  0.361053  0.498214  1
  Al  Al86  1  0.151256  0.234929  0.536587  1
  Al  Al87  1  0.763269  0.842709  0.503330  1
  Al  Al88  1  0.214017  0.715680  0.541595  1
  Al  Al89  1  0.476214  0.164287  0.532957  1
  Al  Al90  1  0.924470  0.037254  0.570888  1
  Al  Al91  1  0.557524  0.421704  0.542647  1
  Al  Al92  1  0.108922  0.551882  0.503948  1
  Al  Al93  1  0.771440  0.858653  0.561360  1
  Al  Al94  1  0.321502  0.988653  0.523068  1
  Al  Al95  1  0.519149  0.845960  0.565950  1
  Al  Al96  1  0.068635  0.976792  0.526532  1
  Al  Al97  1  0.206168  0.154232  0.623698  1
  Al  Al98  1  0.752203  0.280461  0.585209  1
  Al  Al99  1  0.315084  0.425594  0.605058  1
  Al  Al100  1  0.762800  0.296955  0.643468  1
  Al  Al101  1  0.255973  0.854441  0.649797  1
  Al  Al102  1  0.803053  0.984244  0.610081  1
  Al  Al103  1  0.418841  0.596459  0.577815  1
  Al  Al104  1  0.865154  0.467626  0.615979  1
  Al  Al105  1  0.556951  0.414291  0.608414  1
  Al  Al106  1  1.009145  0.289182  0.645744  1
  Al  Al107  1  0.617608  0.898939  0.613865  1
  Al  Al108  1  0.171351  0.028807  0.573909  1
  Al  Al109  1  0.600485  0.101991  0.575761  1
  Al  Al110  1  0.049406  0.974302  0.612470  1
  Al  Al111  1  0.660828  0.583668  0.580573  1
  Al  Al112  1  0.113279  0.462093  0.618544  1
  Al  Al113  1  0.375198  0.908146  0.610386  1
  Al  Al114  1  0.822829  0.778096  0.647885  1
  Al  Al115  1  0.456341  0.163895  0.620741  1
  Al  Al116  1  1.008572  0.294577  0.581020  1
  Al  Al117  1  0.668884  0.604187  0.639359  1
  Al  Al118  1  0.221033  0.732776  0.599654  1
  Al  Al119  1  0.423026  0.586583  0.644146  1
  Al  Al120  1  0.965711  0.718777  0.603211  1
  Al  Al121  1  0.120088  0.895537  0.698591  1
  Al  Al122  1  0.648303  0.023448  0.662832  1
  Al  Al123  1  0.199231  0.168194  0.682125  1
  Al  Al124  1  0.667061  0.023397  0.719774  1
  Al  Al125  1  0.116362  0.618958  0.723261  1
  Al  Al126  1  0.709614  0.724488  0.689076  1
  Al  Al127  1  0.317733  0.337428  0.655121  1
  Al  Al128  1  0.772376  0.208836  0.693235  1
  Al  Al129  1  0.451504  0.154424  0.688690  1
  Al  Al130  1  0.904187  0.001354  0.724155  1
  Al  Al131  1  0.517993  0.635288  0.693370  1
  Al  Al132  1  0.068727  0.768758  0.650844  1
  Al  Al133  1  0.496336  0.843289  0.653305  1
  Al  Al134  1  0.947287  0.710069  0.692232  1
  Al  Al135  1  0.561582  0.322474  0.658271  1
  Al  Al136  1  0.997046  0.168896  0.692727  1
  Al  Al137  1  0.280581  0.646045  0.688075  1
  Al  Al138  1  0.728469  0.502810  0.725458  1
  Al  Al139  1  0.349790  0.911861  0.696955  1
  Al  Al140  1  0.905457  0.032279  0.655359  1
  Al  Al141  1  0.579108  0.333876  0.713875  1
  Al  Al142  1  0.125016  0.486145  0.672256  1
  Al  Al143  1  0.267774  0.370778  0.711330  1
  Al  Al144  1  0.873557  0.454729  0.682295  1
  Ni  Ni145  1  0.047333  0.194508  0.312241  1
  Ni  Ni146  1  0.675091  0.267791  0.283247  1
  Ni  Ni147  1  0.839955  0.353652  0.266686  1
  Ni  Ni148  1  0.304899  0.221932  0.304656  1
  Ni  Ni149  1  0.634373  0.622421  0.336303  1
  Ni  Ni150  1  0.184552  0.757125  0.295011  1
  Ni  Ni151  1  0.922690  0.725275  0.304292  1
  Ni  Ni152  1  0.376887  0.597930  0.338582  1
  Ni  Ni153  1  0.951469  0.936824  0.388802  1
  Ni  Ni154  1  0.492441  0.061041  0.350884  1
  Ni  Ni155  1  0.760843  0.084312  0.344586  1
  Ni  Ni156  1  0.206245  0.958218  0.381898  1
  Ni  Ni157  1  0.530844  0.361493  0.410816  1
  Ni  Ni158  1  0.083275  0.492783  0.371597  1
  Ni  Ni159  1  0.825540  0.469635  0.378945  1
  Ni  Ni160  1  0.273817  0.342777  0.416583  1
  Ni  Ni161  1  0.847941  0.678777  0.466012  1
  Ni  Ni162  1  0.396980  0.807634  0.427069  1
  Ni  Ni163  1  0.655168  0.827932  0.421666  1
  Ni  Ni164  1  0.104925  0.700638  0.459370  1
  Ni  Ni165  1  0.430409  0.104764  0.488022  1
  Ni  Ni166  1  0.982388  0.234728  0.449196  1
  Ni  Ni167  1  0.725089  0.212630  0.455691  1
  Ni  Ni168  1  0.174377  0.085111  0.494010  1
  Ni  Ni169  1  0.745660  0.420838  0.543097  1
  Ni  Ni170  1  0.297639  0.550802  0.504271  1
  Ni  Ni171  1  0.553670  0.570456  0.498283  1
  Ni  Ni172  1  1.002959  0.442936  0.536603  1
  Ni  Ni173  1  0.331068  0.847932  0.565225  1
  Ni  Ni174  1  0.880106  0.976789  0.526281  1
  Ni  Ni175  1  0.623123  0.954928  0.532923  1
  Ni  Ni176  1  0.072880  0.827635  0.570627  1
  Ni  Ni177  1  0.644773  0.162783  0.620696  1
  Ni  Ni178  1  0.197203  0.294074  0.581477  1
  Ni  Ni179  1  0.454230  0.312789  0.575710  1
  Ni  Ni180  1  0.902508  0.185931  0.613349  1
  Ni  Ni181  1  0.235607  0.594525  0.641409  1
  Ni  Ni182  1  0.776578  0.718743  0.603492  1
  Ni  Ni183  1  0.521803  0.697348  0.610396  1
  Ni  Ni184  1  0.967204  0.571255  0.647707  1
  Ni  Ni185  1  0.543496  0.898441  0.697282  1
  Ni  Ni186  1  0.093675  0.033145  0.655990  1
  Ni  Ni187  1  0.351161  0.057636  0.653711  1
  Ni  Ni188  1  0.805358  0.930291  0.688001  1
  Ni  Ni189  1  0.052957  0.387775  0.709046  1
  Ni  Ni190  1  0.680715  0.461059  0.680052  1
  Ni  Ni191  1  0.423149  0.433634  0.687637  1
  Ni  Ni192  1  0.888093  0.301914  0.725607  1
