# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16125712
_cell_length_b   17.50424191
_cell_length_c   49.90790941
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.48789504
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6151.07552005
_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  0.105153  0.916878  0.342128  1
  Al  Al2  1  0.321417  0.392842  0.305236  1
  Al  Al3  1  0.815131  1.001979  0.270193  1
  Al  Al4  1  0.679564  0.545819  0.327476  1
  Al  Al5  1  0.522396  0.835832  0.334013  1
  Al  Al6  1  0.769630  0.303210  0.310024  1
  Al  Al7  1  0.071231  0.031898  0.307151  1
  Al  Al8  1  0.448511  0.593645  0.288002  1
  Al  Al9  1  0.801474  0.032642  0.347048  1
  Al  Al10  1  0.015323  0.512055  0.297417  1
  Al  Al11  1  0.463070  0.216632  0.296125  1
  Al  Al12  1  0.741969  0.843334  0.279229  1
  Al  Al13  1  0.902733  0.801327  0.326758  1
  Al  Al14  1  0.990537  0.169193  0.285604  1
  Al  Al15  1  0.444624  0.057445  0.283558  1
  Al  Al16  1  0.305034  0.536445  0.335329  1
  Al  Al17  1  0.150561  0.275660  0.330230  1
  Al  Al18  1  0.270088  0.776306  0.298718  1
  Al  Al19  1  0.356670  0.917485  0.290036  1
  Al  Al20  1  0.675774  0.442136  0.290699  1
  Al  Al21  1  0.927039  0.165643  0.337179  1
  Al  Al22  1  0.082946  0.657040  0.299342  1
  Al  Al23  1  0.536025  0.159698  0.347113  1
  Al  Al24  1  0.694089  0.693258  0.307833  1
  Al  Al25  1  0.659488  0.875622  0.409894  1
  Al  Al26  1  0.865321  0.395060  0.375056  1
  Al  Al27  1  0.434648  0.010185  0.345388  1
  Al  Al28  1  0.243451  0.504023  0.396537  1
  Al  Al29  1  0.140284  0.750519  0.415666  1
  Al  Al30  1  0.345992  0.272569  0.380231  1
  Al  Al31  1  0.753660  0.011500  0.397093  1
  Al  Al32  1  0.974154  0.533160  0.358566  1
  Al  Al33  1  0.386049  0.995912  0.414046  1
  Al  Al34  1  0.589747  0.515909  0.377786  1
  Al  Al35  1  0.997130  0.258093  0.393610  1
  Al  Al36  1  0.232146  0.777255  0.357305  1
  Al  Al37  1  0.491359  0.761847  0.395547  1
  Al  Al38  1  0.684467  0.284283  0.360586  1
  Al  Al39  1  0.122137  0.027884  0.375736  1
  Al  Al40  1  0.892588  0.504484  0.411921  1
  Al  Al41  1  0.652889  0.246928  0.413631  1
  Al  Al42  1  0.862616  0.768358  0.377072  1
  Al  Al43  1  0.035556  0.885756  0.393782  1
  Al  Al44  1  0.241341  0.401685  0.356785  1
  Al  Al45  1  0.486195  0.129552  0.401614  1
  Al  Al46  1  0.698240  0.655380  0.363781  1
  Al  Al47  1  0.110171  0.121491  0.417640  1
  Al  Al48  1  0.327477  0.640815  0.381185  1
  Al  Al49  1  0.236394  0.832789  0.479881  1
  Al  Al50  1  0.443465  0.355947  0.444345  1
  Al  Al51  1  0.037616  0.982629  0.433545  1
  Al  Al52  1  0.819613  0.462472  0.469256  1
  Al  Al53  1  0.711985  0.707154  0.487700  1
  Al  Al54  1  0.925042  0.229449  0.452001  1
  Al  Al55  1  0.336531  0.969632  0.466863  1
  Al  Al56  1  0.545066  0.492222  0.430541  1
  Al  Al57  1  0.958634  0.950236  0.486157  1
  Al  Al58  1  0.166938  0.473553  0.449740  1
  Al  Al59  1  0.579055  0.213955  0.465642  1
  Al  Al60  1  0.794249  0.734434  0.429333  1
  Al  Al61  1  0.059633  0.718912  0.468505  1
  Al  Al62  1  0.271487  0.241338  0.432910  1
  Al  Al63  1  0.684589  0.981193  0.448866  1
  Al  Al64  1  0.468163  0.460429  0.483412  1
  Al  Al65  1  0.230952  0.202193  0.484289  1
  Al  Al66  1  0.446312  0.723697  0.447911  1
  Al  Al67  1  0.611533  0.842077  0.464838  1
  Al  Al68  1  0.820315  0.365205  0.429621  1
  Al  Al69  1  0.057268  0.087361  0.472822  1
  Al  Al70  1  0.267524  0.609700  0.436659  1
  Al  Al71  1  0.682789  0.078039  0.488657  1
  Al  Al72  1  0.891583  0.600138  0.452444  1
  Al  Al73  1  0.811321  0.789764  0.551942  1
  Al  Al74  1  0.021576  0.312102  0.515779  1
  Al  Al75  1  0.610682  0.939034  0.505189  1
  Al  Al76  1  0.394256  0.418270  0.539735  1
  Al  Al77  1  0.284596  0.665029  0.559267  1
  Al  Al78  1  0.499790  0.185508  0.522958  1
  Al  Al79  1  0.911907  0.925910  0.538861  1
  Al  Al80  1  0.120211  0.449228  0.502444  1
  Al  Al81  1  0.533779  0.907241  0.558060  1
  Al  Al82  1  0.742314  0.429832  0.521738  1
  Al  Al83  1  0.153802  0.170014  0.536600  1
  Al  Al84  1  0.366860  0.692310  0.500901  1
  Al  Al85  1  0.632532  0.675767  0.540690  1
  Al  Al86  1  0.847892  0.197270  0.504312  1
  Al  Al87  1  0.259232  0.936991  0.519345  1
  Al  Al88  1  0.041229  0.416834  0.555056  1
  Al  Al89  1  0.807357  0.158126  0.555691  1
  Al  Al90  1  0.019211  0.680552  0.520096  1
  Al  Al91  1  0.187262  0.799326  0.536157  1
  Al  Al92  1  0.396055  0.321425  0.499944  1
  Al  Al93  1  0.635380  0.043517  0.544256  1
  Al  Al94  1  0.842451  0.566674  0.508720  1
  Al  Al95  1  0.258529  0.034258  0.558980  1
  Al  Al96  1  0.467312  0.557386  0.523763  1
  Al  Al97  1  0.380605  0.744083  0.624819  1
  Al  Al98  1  0.592649  0.269911  0.586986  1
  Al  Al99  1  0.186257  0.894980  0.576680  1
  Al  Al100  1  0.956708  0.371580  0.612865  1
  Al  Al101  1  0.846698  0.622208  0.631296  1
  Al  Al102  1  0.081715  0.141371  0.594991  1
  Al  Al103  1  0.489098  0.883555  0.610815  1
  Al  Al104  1  0.692796  0.403552  0.574555  1
  Al  Al105  1  0.104691  0.866303  0.630034  1
  Al  Al106  1  0.325185  0.387964  0.591508  1
  Al  Al107  1  0.732852  0.126895  0.608370  1
  Al  Al108  1  0.938561  0.648945  0.572935  1
  Al  Al109  1  0.216228  0.631105  0.611528  1
  Al  Al110  1  0.425956  0.152535  0.574970  1
  Al  Al111  1  0.835394  0.895441  0.592064  1
  Al  Al112  1  0.644196  0.389279  0.643213  1
  Al  Al113  1  0.394378  0.115180  0.628015  1
  Al  Al114  1  0.587486  0.637617  0.593054  1
  Al  Al115  1  0.751368  0.758649  0.607416  1
  Al  Al116  1  0.968674  0.277972  0.570961  1
  Al  Al117  1  0.213524  0.004403  0.613545  1
  Al  Al118  1  0.419357  0.523842  0.578707  1
  Al  Al119  1  0.837504  0.997779  0.631816  1
  Al  Al120  1  0.043288  0.513707  0.594818  1
  Al  Al121  1  0.995898  0.742424  0.689259  1
  Al  Al122  1  0.151806  0.233820  0.651422  1
  Al  Al123  1  0.773811  0.863019  0.653272  1
  Al  Al124  1  0.634221  0.342018  0.705043  1
  Al  Al125  1  0.336876  0.556130  0.709372  1
  Al  Al126  1  0.615775  0.182831  0.692476  1
  Al  Al127  1  0.063522  0.887408  0.691184  1
  Al  Al128  1  0.277371  0.366822  0.641553  1
  Al  Al129  1  0.630334  0.805819  0.700599  1
  Al  Al130  1  0.007614  0.367566  0.681450  1
  Al  Al131  1  0.309215  0.096254  0.678577  1
  Al  Al132  1  0.556449  0.563631  0.654587  1
  Al  Al133  1  0.808757  0.623157  0.689883  1
  Al  Al134  1  0.928284  0.123804  0.658371  1
  Al  Al135  1  0.399281  0.853645  0.661125  1
  Al  Al136  1  0.263714  0.397484  0.718408  1
  Al  Al137  1  0.088307  0.230270  0.702997  1
  Al  Al138  1  0.176111  0.598137  0.661843  1
  Al  Al139  1  0.384756  0.706205  0.680768  1
  Al  Al140  1  0.542820  0.239766  0.641488  1
  Al  Al141  1  0.757428  0.006622  0.683364  1
  Al  Al142  1  0.973691  0.482586  0.646473  1
  Al  Al143  1  0.403071  0.957328  0.697902  1
  Al  Al144  1  0.722175  0.481979  0.698564  1
  Ni  Ni145  1  0.678580  0.950571  0.312340  1
  Ni  Ni146  1  0.581470  0.416212  0.340219  1
  Ni  Ni147  1  0.006703  0.899276  0.296660  1
  Ni  Ni148  1  0.927993  0.413620  0.327521  1
  Ni  Ni149  1  0.719074  0.101193  0.305478  1
  Ni  Ni150  1  0.399067  0.665115  0.331291  1
  Ni  Ni151  1  0.264812  0.132447  0.319948  1
  Ni  Ni152  1  0.056360  0.664462  0.348503  1
  Ni  Ni153  1  0.380279  0.898025  0.376982  1
  Ni  Ni154  1  0.157282  0.375296  0.411041  1
  Ni  Ni155  1  0.732472  0.905601  0.360377  1
  Ni  Ni156  1  0.511497  0.385794  0.393214  1
  Ni  Ni157  1  0.207647  0.154702  0.367791  1
  Ni  Ni158  1  0.982519  0.632265  0.398205  1
  Ni  Ni159  1  0.834936  0.141127  0.383723  1
  Ni  Ni160  1  0.624924  0.622076  0.415727  1
  Ni  Ni161  1  0.950814  0.853120  0.446924  1
  Ni  Ni162  1  0.735861  0.332338  0.482756  1
  Ni  Ni163  1  0.308926  0.863800  0.428765  1
  Ni  Ni164  1  0.090944  0.343318  0.464914  1
  Ni  Ni165  1  0.770029  0.111260  0.435241  1
  Ni  Ni166  1  0.552665  0.589676  0.469714  1
  Ni  Ni167  1  0.412944  0.100534  0.452636  1
  Ni  Ni168  1  0.198270  0.579202  0.487798  1
  Ni  Ni169  1  0.526180  0.809788  0.518887  1
  Ni  Ni170  1  0.308816  0.288203  0.553360  1
  Ni  Ni171  1  0.880575  0.820261  0.500803  1
  Ni  Ni172  1  0.665901  0.298930  0.535965  1
  Ni  Ni173  1  0.342984  0.067126  0.505845  1
  Ni  Ni174  1  0.128030  0.546344  0.541677  1
  Ni  Ni175  1  0.987900  0.056145  0.523687  1
  Ni  Ni176  1  0.769919  0.535663  0.559836  1
  Ni  Ni177  1  0.096325  0.767198  0.590396  1
  Ni  Ni178  1  0.871198  0.244761  0.620810  1
  Ni  Ni179  1  0.453921  0.777387  0.572874  1
  Ni  Ni180  1  0.243908  0.258337  0.604878  1
  Ni  Ni181  1  0.921562  0.024168  0.577560  1
  Ni  Ni182  1  0.698566  0.501439  0.611619  1
  Ni  Ni183  1  0.567347  0.013670  0.595387  1
  Ni  Ni184  1  0.346373  0.493863  0.628224  1
  Ni  Ni185  1  0.679778  0.734349  0.657310  1
  Ni  Ni186  1  0.359771  0.298270  0.683123  1
  Ni  Ni187  1  0.022485  0.735002  0.640097  1
  Ni  Ni188  1  0.814032  0.267016  0.668653  1
  Ni  Ni189  1  0.497374  0.983251  0.648382  1
  Ni  Ni190  1  0.400264  0.448893  0.676261  1
  Ni  Ni191  1  0.150852  0.985844  0.661080  1
  Ni  Ni192  1  0.072141  0.500188  0.691940  1
