# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73709797
_cell_length_b   25.99981567
_cell_length_c   51.56212118
_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   'Al144 Ni48'
_cell_volume   6350.58028855
_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  0.622517  0.941105  0.313889  1
  Al  Al2  1  0.614518  0.575961  0.346917  1
  Al  Al3  1  0.623930  0.333865  0.276248  1
  Al  Al4  1  0.136614  0.929457  0.277609  1
  Al  Al5  1  0.136512  0.546140  0.316140  1
  Al  Al6  1  0.135082  0.169274  0.351432  1
  Al  Al7  1  0.119927  0.017257  0.303927  1
  Al  Al8  1  0.118977  0.642268  0.344988  1
  Al  Al9  1  0.131784  0.396261  0.269369  1
  Al  Al10  1  0.636631  0.784490  0.366323  1
  Al  Al11  1  0.639562  0.539096  0.291622  1
  Al  Al12  1  0.636048  0.160948  0.327679  1
  Al  Al13  1  0.391725  0.854157  0.336723  1
  Al  Al14  1  0.383939  0.612213  0.261094  1
  Al  Al15  1  0.406565  0.234879  0.297586  1
  Al  Al16  1  0.901173  0.758047  0.279275  1
  Al  Al17  1  0.913959  0.376451  0.319308  1
  Al  Al18  1  0.907049  1.000043  0.354111  1
  Al  Al19  1  0.405216  0.953812  0.364004  1
  Al  Al20  1  0.399264  0.708864  0.287536  1
  Al  Al21  1  0.408795  0.330390  0.326763  1
  Al  Al22  1  0.900245  0.848377  0.312390  1
  Al  Al23  1  0.902784  0.473693  0.346985  1
  Al  Al24  1  0.907857  0.229482  0.271795  1
  Al  Al25  1  0.617212  0.688406  0.337889  1
  Al  Al26  1  0.630766  0.446692  0.260627  1
  Al  Al27  1  0.613112  0.067114  0.299271  1
  Al  Al28  1  0.917748  0.888147  0.365974  1
  Al  Al29  1  0.907177  0.643619  0.293116  1
  Al  Al30  1  0.919362  0.263126  0.327532  1
  Al  Al31  1  0.390499  0.827946  0.283018  1
  Al  Al32  1  0.416279  0.442144  0.313716  1
  Al  Al33  1  0.417194  0.065690  0.350889  1
  Al  Al34  1  0.111652  0.752188  0.332200  1
  Al  Al35  1  0.141132  0.509352  0.263617  1
  Al  Al36  1  0.118647  0.132970  0.296592  1
  Al  Al37  1  0.616311  0.823868  0.423257  1
  Al  Al38  1  0.617764  0.447680  0.458536  1
  Al  Al39  1  0.619357  0.197710  0.383683  1
  Al  Al40  1  0.134158  0.794347  0.390609  1
  Al  Al41  1  0.131122  0.418777  0.426988  1
  Al  Al42  1  0.129603  0.043364  0.463897  1
  Al  Al43  1  0.127053  0.891322  0.419212  1
  Al  Al44  1  0.131168  0.515855  0.455980  1
  Al  Al45  1  0.130871  0.266936  0.380902  1
  Al  Al46  1  0.630797  0.658790  0.477259  1
  Al  Al47  1  0.630799  0.410094  0.402478  1
  Al  Al48  1  0.630053  0.033850  0.439248  1
  Al  Al49  1  0.402741  0.731016  0.446286  1
  Al  Al50  1  0.404800  0.483238  0.371366  1
  Al  Al51  1  0.406283  0.105997  0.407544  1
  Al  Al52  1  0.903330  0.624993  0.392867  1
  Al  Al53  1  0.904812  0.248747  0.428564  1
  Al  Al54  1  0.905423  0.874046  0.467378  1
  Al  Al55  1  0.404170  0.828299  0.475415  1
  Al  Al56  1  0.404051  0.579487  0.400422  1
  Al  Al57  1  0.404729  0.203375  0.436370  1
  Al  Al58  1  0.902749  0.722398  0.421531  1
  Al  Al59  1  0.905989  0.345985  0.457925  1
  Al  Al60  1  0.906825  0.096903  0.382696  1
  Al  Al61  1  0.630700  0.561517  0.448279  1
  Al  Al62  1  0.632740  0.312902  0.373700  1
  Al  Al63  1  0.627993  0.937320  0.411694  1
  Al  Al64  1  0.917560  0.760633  0.478082  1
  Al  Al65  1  0.918563  0.511434  0.403399  1
  Al  Al66  1  0.919045  0.135359  0.439069  1
  Al  Al67  1  0.418873  0.692446  0.390177  1
  Al  Al68  1  0.418620  0.317155  0.426128  1
  Al  Al69  1  0.419813  0.941823  0.464412  1
  Al  Al70  1  0.117141  0.629657  0.445405  1
  Al  Al71  1  0.116248  0.381667  0.371272  1
  Al  Al72  1  0.117042  1.004737  0.407806  1
  Al  Al73  1  0.617823  0.696735  0.533403  1
  Al  Al74  1  0.617570  0.321444  0.569354  1
  Al  Al75  1  0.616630  0.072067  0.495119  1
  Al  Al76  1  0.130454  0.667905  0.501606  1
  Al  Al77  1  0.133695  0.291492  0.538001  1
  Al  Al78  1  0.129619  0.916987  0.576835  1
  Al  Al79  1  0.131631  0.765144  0.530967  1
  Al  Al80  1  0.133114  0.388897  0.566664  1
  Al  Al81  1  0.131021  0.139844  0.492153  1
  Al  Al82  1  0.631643  0.530652  0.588165  1
  Al  Al83  1  0.633702  0.282875  0.513245  1
  Al  Al84  1  0.630161  0.907893  0.551987  1
  Al  Al85  1  0.405644  0.603796  0.557053  1
  Al  Al86  1  0.405646  0.355101  0.482272  1
  Al  Al87  1  0.406390  0.980040  0.520283  1
  Al  Al88  1  0.905276  0.498035  0.503551  1
  Al  Al89  1  0.909390  0.122568  0.540319  1
  Al  Al90  1  0.905573  0.746954  0.578630  1
  Al  Al91  1  0.403703  0.700988  0.585831  1
  Al  Al92  1  0.405743  0.452373  0.511253  1
  Al  Al93  1  0.408450  0.076570  0.547837  1
  Al  Al94  1  0.905321  0.595113  0.532543  1
  Al  Al95  1  0.902285  0.219543  0.568923  1
  Al  Al96  1  0.906840  0.970526  0.495634  1
  Al  Al97  1  0.632393  0.434403  0.559109  1
  Al  Al98  1  0.632274  0.185591  0.484117  1
  Al  Al99  1  0.631714  0.810515  0.523161  1
  Al  Al100  1  0.920195  0.632223  0.588259  1
  Al  Al101  1  0.919302  0.384233  0.514126  1
  Al  Al102  1  0.919401  0.009153  0.551725  1
  Al  Al103  1  0.418679  0.566210  0.500995  1
  Al  Al104  1  0.420132  0.190022  0.536274  1
  Al  Al105  1  0.417086  0.816180  0.575848  1
  Al  Al106  1  0.117880  0.502456  0.556133  1
  Al  Al107  1  0.118884  0.253257  0.481450  1
  Al  Al108  1  0.117398  0.878531  0.520463  1
  Al  Al109  1  0.620164  0.571746  0.645815  1
  Al  Al110  1  0.645944  0.185944  0.676514  1
  Al  Al111  1  0.619249  0.948200  0.608642  1
  Al  Al112  1  0.133659  0.540197  0.612547  1
  Al  Al113  1  0.136198  0.165513  0.647141  1
  Al  Al114  1  0.128586  0.784408  0.687736  1
  Al  Al115  1  0.122484  0.637439  0.640223  1
  Al  Al116  1  0.135270  0.255844  0.680257  1
  Al  Al117  1  0.129394  0.013847  0.605420  1
  Al  Al118  1  0.652504  0.401677  0.698438  1
  Al  Al119  1  0.644718  0.159733  0.622808  1
  Al  Al120  1  0.629879  0.779011  0.661945  1
  Al  Al121  1  0.396881  0.474794  0.667909  1
  Al  Al122  1  0.399812  0.229400  0.593208  1
  Al  Al123  1  0.400395  0.852942  0.631853  1
  Al  Al124  1  0.917466  0.371622  0.614543  1
  Al  Al125  1  0.916516  0.996633  0.655604  1
  Al  Al126  1  0.904660  0.617629  0.690162  1
  Al  Al127  1  0.405677  0.567198  0.698904  1
  Al  Al128  1  0.419231  0.325484  0.621642  1
  Al  Al129  1  0.423331  0.946776  0.660260  1
  Al  Al130  1  0.899931  0.467750  0.643392  1
  Al  Al131  1  0.899829  0.084433  0.681923  1
  Al  Al132  1  0.901361  0.844616  0.608099  1
  Al  Al133  1  0.637180  0.305027  0.671995  1
  Al  Al134  1  0.631227  0.060078  0.595527  1
  Al  Al135  1  0.627648  0.683500  0.632769  1
  Al  Al136  1  0.895312  0.504538  0.695914  1
  Al  Al137  1  0.924792  0.261702  0.627331  1
  Al  Al138  1  0.917796  0.880920  0.662940  1
  Al  Al139  1  0.421926  0.437929  0.612615  1
  Al  Al140  1  0.413927  0.072785  0.645642  1
  Al  Al141  1  0.412513  0.680025  0.683283  1
  Al  Al142  1  0.129267  0.370271  0.666415  1
  Al  Al143  1  0.118695  0.125743  0.593557  1
  Al  Al144  1  0.117081  0.750764  0.631999  1
  Ni  Ni145  1  0.117531  0.932042  0.326068  1
  Ni  Ni146  1  0.097499  0.556370  0.363712  1
  Ni  Ni147  1  0.116528  0.310769  0.288628  1
  Ni  Ni148  1  0.629921  0.986830  0.274732  1
  Ni  Ni149  1  0.421958  0.622586  0.308146  1
  Ni  Ni150  1  0.438661  0.243754  0.344790  1
  Ni  Ni151  1  0.882079  0.849718  0.265031  1
  Ni  Ni152  1  0.923043  0.462043  0.300070  1
  Ni  Ni153  1  0.933661  0.085498  0.335231  1
  Ni  Ni154  1  0.601839  0.773391  0.318461  1
  Ni  Ni155  1  0.597111  0.400273  0.354889  1
  Ni  Ni156  1  0.609986  0.152802  0.279438  1
  Ni  Ni157  1  0.101471  0.805143  0.438410  1
  Ni  Ni158  1  0.101503  0.429119  0.474583  1
  Ni  Ni159  1  0.104162  0.180028  0.399277  1
  Ni  Ni160  1  0.439819  0.867615  0.383424  1
  Ni  Ni161  1  0.433967  0.493002  0.419142  1
  Ni  Ni162  1  0.434312  0.117007  0.455283  1
  Ni  Ni163  1  0.938820  0.711490  0.373772  1
  Ni  Ni164  1  0.934614  0.335668  0.410333  1
  Ni  Ni165  1  0.936058  0.960226  0.447987  1
  Ni  Ni166  1  0.601790  0.648103  0.429695  1
  Ni  Ni167  1  0.602621  0.272068  0.465517  1
  Ni  Ni168  1  0.604693  0.023148  0.391538  1
  Ni  Ni169  1  0.101829  0.678222  0.549199  1
  Ni  Ni170  1  0.097623  0.302400  0.585759  1
  Ni  Ni171  1  0.100385  0.053664  0.511545  1
  Ni  Ni172  1  0.433822  0.741823  0.494014  1
  Ni  Ni173  1  0.434653  0.365787  0.529837  1
  Ni  Ni174  1  0.431750  0.990742  0.567994  1
  Ni  Ni175  1  0.934941  0.584771  0.484948  1
  Ni  Ni176  1  0.934972  0.208747  0.521121  1
  Ni  Ni177  1  0.932282  0.833862  0.560254  1
  Ni  Ni178  1  0.602477  0.520888  0.540389  1
  Ni  Ni179  1  0.596624  0.146275  0.576108  1
  Ni  Ni180  1  0.602131  0.896883  0.504249  1
  Ni  Ni181  1  0.113401  0.551847  0.659461  1
  Ni  Ni182  1  0.154364  0.164173  0.694500  1
  Ni  Ni183  1  0.102783  0.928392  0.624300  1
  Ni  Ni184  1  0.439332  0.613617  0.604642  1
  Ni  Ni185  1  0.434605  0.240499  0.641070  1
  Ni  Ni186  1  0.426457  0.861088  0.680094  1
  Ni  Ni187  1  0.938944  0.457520  0.595819  1
  Ni  Ni188  1  0.918912  0.081848  0.633463  1
  Ni  Ni189  1  0.919916  0.703121  0.670903  1
  Ni  Ni190  1  0.614485  0.391304  0.651385  1
  Ni  Ni191  1  0.406522  0.027060  0.684800  1
  Ni  Ni192  1  0.597782  0.770136  0.614741  1
