# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.75542114
_cell_length_b   9.68471604
_cell_length_c   51.23962961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.36560361
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   5713.67152744
_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  0.492531  0.308955  0.335325  1
  Al  Al2  1  0.052369  0.426084  0.292048  1
  Al  Al3  1  0.841719  0.741887  0.272373  1
  Al  Al4  1  0.290325  0.625586  0.310211  1
  Al  Al5  1  0.787173  0.134673  0.309770  1
  Al  Al6  1  0.366583  0.228268  0.271402  1
  Al  Al7  1  0.509224  0.590391  0.326983  1
  Al  Al8  1  0.082735  0.711727  0.284458  1
  Al  Al9  1  0.894238  0.607686  0.320189  1
  Al  Al10  1  0.455573  0.642849  0.273204  1
  Al  Al11  1  0.614596  0.056078  0.336744  1
  Al  Al12  1  0.180433  0.165546  0.294401  1
  Al  Al13  1  0.943254  0.214171  0.279386  1
  Al  Al14  1  0.394359  0.104810  0.318693  1
  Al  Al15  1  0.662804  0.671769  0.294713  1
  Al  Al16  1  0.112316  0.567713  0.335147  1
  Al  Al17  1  0.593592  0.166160  0.281796  1
  Al  Al18  1  0.004819  0.089906  0.328221  1
  Al  Al19  1  0.667610  0.391033  0.301186  1
  Al  Al20  1  0.253068  0.487172  0.268813  1
  Al  Al21  1  0.917809  0.872054  0.313184  1
  Al  Al22  1  0.513064  0.916459  0.276215  1
  Al  Al23  1  0.724996  0.788854  0.342434  1
  Al  Al24  1  0.300034  0.887299  0.298485  1
  Al  Al25  1  0.358184  0.108771  0.409194  1
  Al  Al26  1  0.922318  0.216647  0.371117  1
  Al  Al27  1  0.722662  0.515533  0.346348  1
  Al  Al28  1  0.158742  0.411917  0.386179  1
  Al  Al29  1  0.657232  0.923612  0.388238  1
  Al  Al30  1  0.221501  0.031595  0.347547  1
  Al  Al31  1  0.378505  0.380314  0.403887  1
  Al  Al32  1  0.944334  0.486736  0.365566  1
  Al  Al33  1  0.759415  0.388365  0.395380  1
  Al  Al34  1  0.326048  0.494206  0.356848  1
  Al  Al35  1  0.482931  0.842630  0.412009  1
  Al  Al36  1  0.050139  0.949901  0.373653  1
  Al  Al37  1  0.824584  0.005237  0.358281  1
  Al  Al38  1  0.259082  0.899743  0.396404  1
  Al  Al39  1  0.547110  0.463246  0.375034  1
  Al  Al40  1  0.980837  0.355278  0.412938  1
  Al  Al41  1  0.443377  0.977014  0.365113  1
  Al  Al42  1  0.881737  0.867067  0.402813  1
  Al  Al43  1  0.548456  0.183904  0.382577  1
  Al  Al44  1  0.112204  0.292893  0.342097  1
  Al  Al45  1  0.780274  0.657973  0.390626  1
  Al  Al46  1  0.346460  0.767733  0.351352  1
  Al  Al47  1  0.592595  0.582697  0.418440  1
  Al  Al48  1  0.158933  0.688593  0.379301  1
  Al  Al49  1  0.228301  0.894344  0.486082  1
  Al  Al50  1  0.794379  1.001016  0.447719  1
  Al  Al51  1  0.593544  0.306582  0.425462  1
  Al  Al52  1  0.028041  0.198764  0.463548  1
  Al  Al53  1  0.525352  0.710913  0.464881  1
  Al  Al54  1  0.091588  0.817824  0.426176  1
  Al  Al55  1  0.247759  0.166290  0.480979  1
  Al  Al56  1  0.814003  0.272904  0.442570  1
  Al  Al57  1  0.629842  0.173955  0.472699  1
  Al  Al58  1  0.194579  0.280981  0.433903  1
  Al  Al59  1  0.351721  0.629020  0.488807  1
  Al  Al60  1  0.918052  0.735570  0.450254  1
  Al  Al61  1  0.693327  0.792649  0.435536  1
  Al  Al62  1  0.127548  0.685883  0.473802  1
  Al  Al63  1  0.415082  0.247991  0.451537  1
  Al  Al64  1  0.850415  0.140692  0.490122  1
  Al  Al65  1  0.315391  0.760837  0.441205  1
  Al  Al66  1  0.750461  0.654150  0.479829  1
  Al  Al67  1  0.415518  0.971388  0.458414  1
  Al  Al68  1  0.981864  0.078405  0.419917  1
  Al  Al69  1  0.649801  0.445760  0.467607  1
  Al  Al70  1  0.214382  0.552639  0.428801  1
  Al  Al71  1  0.461242  0.368756  0.495184  1
  Al  Al72  1  0.027424  0.475226  0.456688  1
  Al  Al73  1  0.097784  0.680347  0.563331  1
  Al  Al74  1  0.662365  0.787226  0.524525  1
  Al  Al75  1  0.461751  0.092293  0.502010  1
  Al  Al76  1  0.897084  0.984995  0.540595  1
  Al  Al77  1  0.394114  0.497416  0.541878  1
  Al  Al78  1  0.960445  0.603966  0.503325  1
  Al  Al79  1  0.117587  0.952005  0.558229  1
  Al  Al80  1  0.682324  0.059031  0.519433  1
  Al  Al81  1  0.498163  0.960082  0.549562  1
  Al  Al82  1  0.064407  0.066696  0.511153  1
  Al  Al83  1  0.220578  0.415162  0.565956  1
  Al  Al84  1  0.786814  0.522073  0.527251  1
  Al  Al85  1  0.561705  0.578836  0.512303  1
  Al  Al86  1  0.996775  0.472149  0.550926  1
  Al  Al87  1  0.284125  0.034222  0.528584  1
  Al  Al88  1  0.718622  0.926403  0.566670  1
  Al  Al89  1  0.184618  0.547102  0.518330  1
  Al  Al90  1  0.618839  0.440337  0.556596  1
  Al  Al91  1  0.284742  0.757760  0.535444  1
  Al  Al92  1  0.850924  0.864230  0.496948  1
  Al  Al93  1  0.517787  0.231970  0.544413  1
  Al  Al94  1  0.083865  0.338642  0.506050  1
  Al  Al95  1  0.330302  0.154580  0.572215  1
  Al  Al96  1  0.896648  0.261598  0.533718  1
  Al  Al97  1  0.965706  0.465253  0.640779  1
  Al  Al98  1  0.531892  0.575013  0.601506  1
  Al  Al99  1  0.331329  0.877708  0.579194  1
  Al  Al100  1  0.765056  0.769740  0.617098  1
  Al  Al101  1  0.262027  0.283085  0.618479  1
  Al  Al102  1  0.829235  0.390355  0.580123  1
  Al  Al103  1  0.986118  0.738780  0.635284  1
  Al  Al104  1  0.552751  0.844621  0.596751  1
  Al  Al105  1  0.367832  0.746250  0.626566  1
  Al  Al106  1  0.933661  0.852672  0.588245  1
  Al  Al107  1  0.090665  0.201391  0.644585  1
  Al  Al108  1  0.654934  0.309374  0.603894  1
  Al  Al109  1  0.430429  0.365919  0.589318  1
  Al  Al110  1  0.868789  0.255972  0.627019  1
  Al  Al111  1  0.153424  0.821069  0.605953  1
  Al  Al112  1  0.589504  0.717453  0.645784  1
  Al  Al113  1  0.053084  0.333243  0.595728  1
  Al  Al114  1  0.487582  0.227749  0.633851  1
  Al  Al115  1  0.153233  0.544393  0.612831  1
  Al  Al116  1  0.719571  0.650289  0.573692  1
  Al  Al117  1  0.389847  0.016338  0.621015  1
  Al  Al118  1  0.953982  0.124215  0.582938  1
  Al  Al119  1  0.199962  0.940093  0.650035  1
  Al  Al120  1  0.763710  0.049082  0.609554  1
  Al  Al121  1  0.799102  0.316527  0.715917  1
  Al  Al122  1  0.394357  0.360932  0.678948  1
  Al  Al123  1  0.199850  0.665273  0.656984  1
  Al  Al124  1  0.649362  0.561217  0.697419  1
  Al  Al125  1  0.131733  0.067440  0.697731  1
  Al  Al126  1  0.697570  0.176908  0.655388  1
  Al  Al127  1  0.856593  0.590137  0.718928  1
  Al  Al128  1  0.417928  0.625300  0.671943  1
  Al  Al129  1  0.229431  0.521259  0.707674  1
  Al  Al130  1  0.802942  0.642595  0.665149  1
  Al  Al131  1  0.945583  0.004718  0.720729  1
  Al  Al132  1  0.524993  0.098313  0.682362  1
  Al  Al133  1  0.307347  0.143080  0.663911  1
  Al  Al134  1  0.718574  0.066826  0.710336  1
  Al  Al135  1  0.021841  0.607400  0.681921  1
  Al  Al136  1  0.470447  0.491099  0.719759  1
  Al  Al137  1  0.917807  0.128176  0.673439  1
  Al  Al138  1  0.368912  0.018815  0.712746  1
  Al  Al139  1  0.012132  0.345687  0.693647  1
  Al  Al140  1  0.587170  0.444132  0.649698  1
  Al  Al141  1  0.259797  0.806902  0.700084  1
  Al  Al142  1  0.819635  0.924031  0.656807  1
  Al  Al143  1  0.059098  0.745814  0.723319  1
  Al  Al144  1  0.644556  0.841953  0.690946  1
  Ni  Ni145  1  0.838284  0.477180  0.283439  1
  Ni  Ni146  1  0.277320  0.360931  0.315501  1
  Ni  Ni147  1  0.883981  0.340660  0.324729  1
  Ni  Ni148  1  0.446565  0.416302  0.293029  1
  Ni  Ni149  1  0.700625  0.916371  0.299214  1
  Ni  Ni150  1  0.127997  0.823770  0.331175  1
  Ni  Ni151  1  0.519063  0.849382  0.323442  1
  Ni  Ni152  1  0.083273  0.961424  0.289846  1
  Ni  Ni153  1  0.712019  0.261300  0.352813  1
  Ni  Ni154  1  0.146735  0.155149  0.391489  1
  Ni  Ni155  1  0.755809  0.128503  0.401764  1
  Ni  Ni156  1  0.319076  0.233872  0.362452  1
  Ni  Ni157  1  0.557912  0.719224  0.369020  1
  Ni  Ni158  1  0.993869  0.611961  0.407442  1
  Ni  Ni159  1  0.384569  0.639889  0.397761  1
  Ni  Ni160  1  0.952551  0.748002  0.359207  1
  Ni  Ni161  1  0.581159  0.048694  0.430752  1
  Ni  Ni162  1  0.015774  0.941694  0.468980  1
  Ni  Ni163  1  0.623326  0.914890  0.478668  1
  Ni  Ni164  1  0.189563  0.021599  0.439935  1
  Ni  Ni165  1  0.427060  0.505209  0.446061  1
  Ni  Ni166  1  0.862612  0.398036  0.484624  1
  Ni  Ni167  1  0.253624  0.425336  0.474923  1
  Ni  Ni168  1  0.819670  0.531779  0.436553  1
  Ni  Ni169  1  0.449554  0.834950  0.507508  1
  Ni  Ni170  1  0.885106  0.727777  0.546071  1
  Ni  Ni171  1  0.492496  0.701207  0.555579  1
  Ni  Ni172  1  0.058542  0.807650  0.517209  1
  Ni  Ni173  1  0.296392  0.291292  0.523152  1
  Ni  Ni174  1  0.731007  0.184292  0.561380  1
  Ni  Ni175  1  0.122603  0.211387  0.552197  1
  Ni  Ni176  1  0.688840  0.318096  0.513464  1
  Ni  Ni177  1  0.318297  0.621025  0.584690  1
  Ni  Ni178  1  0.754254  0.513762  0.623112  1
  Ni  Ni179  1  0.359615  0.484984  0.632925  1
  Ni  Ni180  1  0.927597  0.593097  0.594371  1
  Ni  Ni181  1  0.165431  0.077837  0.600643  1
  Ni  Ni182  1  0.600147  0.971686  0.639319  1
  Ni  Ni183  1  0.993090  0.999114  0.629680  1
  Ni  Ni184  1  0.556357  0.104482  0.590367  1
  Ni  Ni185  1  0.184169  0.409216  0.660957  1
  Ni  Ni186  1  0.611541  0.316615  0.692918  1
  Ni  Ni187  1  0.228893  0.271562  0.702285  1
  Ni  Ni188  1  0.793103  0.383604  0.668690  1
  Ni  Ni189  1  0.034845  0.872055  0.676631  1
  Ni  Ni190  1  0.473882  0.755806  0.708693  1
  Ni  Ni191  1  0.865601  0.816684  0.699103  1
  Ni  Ni192  1  0.428185  0.892326  0.667403  1
