# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84279763
_cell_length_b   13.03523561
_cell_length_c   49.44247783
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.99060972
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al90 Ni150'
_cell_volume   6032.82685953
_cell_formula_units_Z   30
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  0.253403  0.449036  0.325983  1
  Al  Al2  1  0.173763  0.743242  0.348000  1
  Al  Al3  1  0.404711  0.168579  0.286592  1
  Al  Al4  1  0.395499  0.556894  0.360386  1
  Al  Al5  1  0.628504  0.983680  0.300838  1
  Al  Al6  1  0.516460  0.269885  0.330664  1
  Al  Al7  1  0.024827  0.639752  0.311418  1
  Al  Al8  1  0.912556  0.923112  0.343804  1
  Al  Al9  1  0.142743  0.351013  0.282486  1
  Al  Al10  1  0.753403  0.449036  0.325983  1
  Al  Al11  1  0.673763  0.743242  0.348000  1
  Al  Al12  1  0.904711  0.168579  0.286592  1
  Al  Al13  1  0.895499  0.556894  0.360386  1
  Al  Al14  1  0.128504  0.983680  0.300838  1
  Al  Al15  1  0.016460  0.269885  0.330664  1
  Al  Al16  1  0.524827  0.639752  0.311418  1
  Al  Al17  1  0.412556  0.923112  0.343804  1
  Al  Al18  1  0.642743  0.351013  0.282486  1
  Al  Al19  1  0.923589  0.303058  0.412753  1
  Al  Al20  1  0.834339  0.590646  0.438544  1
  Al  Al21  1  0.030402  0.020519  0.383890  1
  Al  Al22  1  0.057396  0.401866  0.452017  1
  Al  Al23  1  0.282880  0.839158  0.391522  1
  Al  Al24  1  0.159322  0.121773  0.423104  1
  Al  Al25  1  0.695615  0.487080  0.401201  1
  Al  Al26  1  0.575095  0.769593  0.432351  1
  Al  Al27  1  0.805101  0.206258  0.370098  1
  Al  Al28  1  0.423589  0.303058  0.412753  1
  Al  Al29  1  0.334339  0.590646  0.438544  1
  Al  Al30  1  0.530402  0.020519  0.383890  1
  Al  Al31  1  0.557396  0.401866  0.452017  1
  Al  Al32  1  0.782880  0.839158  0.391522  1
  Al  Al33  1  0.659322  0.121773  0.423104  1
  Al  Al34  1  0.195615  0.487080  0.401201  1
  Al  Al35  1  0.075095  0.769593  0.432351  1
  Al  Al36  1  0.305101  0.206258  0.370098  1
  Al  Al37  1  0.602964  0.157828  0.499749  1
  Al  Al38  1  0.457722  0.432303  0.536353  1
  Al  Al39  1  0.683070  0.862980  0.476713  1
  Al  Al40  1  0.710777  0.251676  0.544175  1
  Al  Al41  1  0.943273  0.685359  0.482702  1
  Al  Al42  1  0.826329  0.969179  0.512920  1
  Al  Al43  1  0.342115  0.336388  0.493662  1
  Al  Al44  1  0.230475  0.619517  0.523396  1
  Al  Al45  1  0.459823  0.052841  0.463332  1
  Al  Al46  1  0.102964  0.157828  0.499749  1
  Al  Al47  1  0.957722  0.432303  0.536353  1
  Al  Al48  1  0.183070  0.862980  0.476713  1
  Al  Al49  1  0.210777  0.251676  0.544175  1
  Al  Al50  1  0.443273  0.685359  0.482702  1
  Al  Al51  1  0.326329  0.969179  0.512920  1
  Al  Al52  1  0.842115  0.336388  0.493662  1
  Al  Al53  1  0.730475  0.619517  0.523396  1
  Al  Al54  1  0.959823  0.052841  0.463332  1
  Al  Al55  1  0.262696  0.006540  0.590499  1
  Al  Al56  1  0.116603  0.277885  0.630104  1
  Al  Al57  1  0.347984  0.717404  0.565484  1
  Al  Al58  1  0.372159  0.102543  0.636815  1
  Al  Al59  1  0.590181  0.535644  0.574429  1
  Al  Al60  1  0.485453  0.817503  0.604488  1
  Al  Al61  1  0.005066  0.184274  0.583969  1
  Al  Al62  1  0.892204  0.467012  0.615775  1
  Al  Al63  1  0.120802  0.901972  0.554247  1
  Al  Al64  1  0.762696  0.006540  0.590499  1
  Al  Al65  1  0.616603  0.277885  0.630104  1
  Al  Al66  1  0.847984  0.717404  0.565484  1
  Al  Al67  1  0.872159  0.102543  0.636815  1
  Al  Al68  1  0.090181  0.535644  0.574429  1
  Al  Al69  1  0.985453  0.817503  0.604488  1
  Al  Al70  1  0.505066  0.184274  0.583969  1
  Al  Al71  1  0.392204  0.467012  0.615775  1
  Al  Al72  1  0.620802  0.901972  0.554247  1
  Al  Al73  1  0.917703  0.861766  0.682965  1
  Al  Al74  1  0.791097  0.151370  0.721053  1
  Al  Al75  1  0.036719  0.571043  0.651453  1
  Al  Al76  1  0.030609  0.959815  0.724388  1
  Al  Al77  1  0.262382  0.388391  0.662836  1
  Al  Al78  1  0.151607  0.672825  0.694205  1
  Al  Al79  1  0.664007  0.043467  0.673434  1
  Al  Al80  1  0.556053  0.327808  0.706419  1
  Al  Al81  1  0.783730  0.754411  0.645738  1
  Al  Al82  1  0.417703  0.861766  0.682965  1
  Al  Al83  1  0.291097  0.151370  0.721053  1
  Al  Al84  1  0.536719  0.571043  0.651453  1
  Al  Al85  1  0.530609  0.959815  0.724388  1
  Al  Al86  1  0.762382  0.388391  0.662836  1
  Al  Al87  1  0.651607  0.672825  0.694205  1
  Al  Al88  1  0.164007  0.043467  0.673434  1
  Al  Al89  1  0.056053  0.327808  0.706419  1
  Al  Al90  1  0.283730  0.754411  0.645738  1
  Ni  Ni91  1  0.443037  0.521668  0.278603  1
  Ni  Ni92  1  0.313610  0.812199  0.312096  1
  Ni  Ni93  1  0.213601  0.094174  0.336279  1
  Ni  Ni94  1  0.202880  0.517747  0.281375  1
  Ni  Ni95  1  0.057635  0.821622  0.307362  1
  Ni  Ni96  1  0.964131  0.095503  0.334117  1
  Ni  Ni97  1  0.502787  0.456573  0.320145  1
  Ni  Ni98  1  0.424723  0.737158  0.352937  1
  Ni  Ni99  1  0.658213  0.163374  0.293356  1
  Ni  Ni100  1  0.287390  0.622865  0.312077  1
  Ni  Ni101  1  0.167351  0.926050  0.346473  1
  Ni  Ni102  1  0.395543  0.358563  0.288688  1
  Ni  Ni103  1  0.128861  0.577097  0.358398  1
  Ni  Ni104  1  0.367129  0.998215  0.299953  1
  Ni  Ni105  1  0.264685  0.263227  0.323305  1
  Ni  Ni106  1  0.943037  0.521668  0.278603  1
  Ni  Ni107  1  0.813610  0.812199  0.312096  1
  Ni  Ni108  1  0.713601  0.094174  0.336279  1
  Ni  Ni109  1  0.702880  0.517747  0.281375  1
  Ni  Ni110  1  0.557635  0.821622  0.307362  1
  Ni  Ni111  1  0.464131  0.095503  0.334117  1
  Ni  Ni112  1  1.002787  0.456573  0.320145  1
  Ni  Ni113  1  0.924723  0.737158  0.352937  1
  Ni  Ni114  1  0.158213  0.163374  0.293356  1
  Ni  Ni115  1  0.787390  0.622865  0.312077  1
  Ni  Ni116  1  0.667351  0.926050  0.346473  1
  Ni  Ni117  1  0.895543  0.358563  0.288688  1
  Ni  Ni118  1  0.628861  0.577097  0.358398  1
  Ni  Ni119  1  0.867129  0.998215  0.299953  1
  Ni  Ni120  1  0.764685  0.263227  0.323305  1
  Ni  Ni121  1  0.112219  0.383628  0.363776  1
  Ni  Ni122  1  0.977685  0.659127  0.398995  1
  Ni  Ni123  1  0.878173  0.948520  0.425331  1
  Ni  Ni124  1  0.869171  0.375859  0.367590  1
  Ni  Ni125  1  0.725525  0.666585  0.394717  1
  Ni  Ni126  1  0.629285  0.942513  0.428972  1
  Ni  Ni127  1  0.174611  0.302890  0.410739  1
  Ni  Ni128  1  0.085303  0.582961  0.443029  1
  Ni  Ni129  1  0.277184  0.027846  0.382034  1
  Ni  Ni130  1  0.960978  0.471410  0.403753  1
  Ni  Ni131  1  0.828425  0.776329  0.438197  1
  Ni  Ni132  1  0.065418  0.197312  0.376249  1
  Ni  Ni133  1  0.795167  0.417115  0.448842  1
  Ni  Ni134  1  0.029282  0.834638  0.386265  1
  Ni  Ni135  1  0.895911  0.131605  0.419164  1
  Ni  Ni136  1  0.612219  0.383628  0.363776  1
  Ni  Ni137  1  0.477685  0.659127  0.398995  1
  Ni  Ni138  1  0.378173  0.948520  0.425331  1
  Ni  Ni139  1  0.369171  0.375859  0.367590  1
  Ni  Ni140  1  0.225525  0.666585  0.394717  1
  Ni  Ni141  1  0.129285  0.942513  0.428972  1
  Ni  Ni142  1  0.674611  0.302890  0.410739  1
  Ni  Ni143  1  0.585303  0.582961  0.443029  1
  Ni  Ni144  1  0.777184  0.027846  0.382034  1
  Ni  Ni145  1  0.460978  0.471410  0.403753  1
  Ni  Ni146  1  0.328425  0.776329  0.438197  1
  Ni  Ni147  1  0.565418  0.197312  0.376249  1
  Ni  Ni148  1  0.295167  0.417115  0.448842  1
  Ni  Ni149  1  0.529282  0.834638  0.386265  1
  Ni  Ni150  1  0.395911  0.131605  0.419164  1
  Ni  Ni151  1  0.748423  0.224932  0.459476  1
  Ni  Ni152  1  0.641183  0.510767  0.488350  1
  Ni  Ni153  1  0.539029  0.797493  0.516273  1
  Ni  Ni154  1  0.493896  0.232213  0.457423  1
  Ni  Ni155  1  0.391990  0.510449  0.487510  1
  Ni  Ni156  1  0.292349  0.790617  0.519823  1
  Ni  Ni157  1  0.852838  0.150552  0.505019  1
  Ni  Ni158  1  0.706092  0.438393  0.533348  1
  Ni  Ni159  1  0.932859  0.871236  0.471280  1
  Ni  Ni160  1  0.597025  0.340636  0.498641  1
  Ni  Ni161  1  0.489476  0.611254  0.528507  1
  Ni  Ni162  1  0.725262  0.032222  0.465750  1
  Ni  Ni163  1  0.455919  0.247784  0.537686  1
  Ni  Ni164  1  0.690175  0.678728  0.476587  1
  Ni  Ni165  1  0.561117  0.988779  0.510801  1
  Ni  Ni166  1  0.248423  0.224932  0.459476  1
  Ni  Ni167  1  0.141183  0.510767  0.488350  1
  Ni  Ni168  1  0.039029  0.797493  0.516273  1
  Ni  Ni169  1  0.993896  0.232213  0.457423  1
  Ni  Ni170  1  0.891990  0.510449  0.487510  1
  Ni  Ni171  1  0.792349  0.790617  0.519823  1
  Ni  Ni172  1  0.352838  0.150552  0.505019  1
  Ni  Ni173  1  0.206092  0.438393  0.533348  1
  Ni  Ni174  1  0.432859  0.871236  0.471280  1
  Ni  Ni175  1  0.097025  0.340636  0.498641  1
  Ni  Ni176  1  0.989476  0.611254  0.528507  1
  Ni  Ni177  1  0.225262  0.032222  0.465750  1
  Ni  Ni178  1  0.955919  0.247784  0.537686  1
  Ni  Ni179  1  0.190175  0.678728  0.476587  1
  Ni  Ni180  1  0.061117  0.988779  0.510801  1
  Ni  Ni181  1  0.406256  0.072711  0.551450  1
  Ni  Ni182  1  0.308779  0.362286  0.577102  1
  Ni  Ni183  1  0.183013  0.641117  0.610825  1
  Ni  Ni184  1  0.154105  0.079709  0.546567  1
  Ni  Ni185  1  0.059505  0.356605  0.581597  1
  Ni  Ni186  1  0.929478  0.645187  0.609376  1
  Ni  Ni187  1  0.511674  0.998804  0.596716  1
  Ni  Ni188  1  0.368151  0.284498  0.622871  1
  Ni  Ni189  1  0.598654  0.718328  0.563174  1
  Ni  Ni190  1  0.258594  0.191021  0.591191  1
  Ni  Ni191  1  0.157168  0.446798  0.616944  1
  Ni  Ni192  1  0.386782  0.884584  0.556274  1
  Ni  Ni193  1  0.115856  0.096318  0.627550  1
  Ni  Ni194  1  0.327820  0.544050  0.571622  1
  Ni  Ni195  1  0.221869  0.834253  0.601642  1
  Ni  Ni196  1  0.906256  0.072711  0.551450  1
  Ni  Ni197  1  0.808779  0.362286  0.577102  1
  Ni  Ni198  1  0.683013  0.641117  0.610825  1
  Ni  Ni199  1  0.654105  0.079709  0.546567  1
  Ni  Ni200  1  0.559505  0.356605  0.581597  1
  Ni  Ni201  1  0.429478  0.645187  0.609376  1
  Ni  Ni202  1  0.011674  0.998804  0.596716  1
  Ni  Ni203  1  0.868151  0.284498  0.622871  1
  Ni  Ni204  1  0.098654  0.718328  0.563174  1
  Ni  Ni205  1  0.758594  0.191021  0.591191  1
  Ni  Ni206  1  0.657168  0.446798  0.616944  1
  Ni  Ni207  1  0.886782  0.884584  0.556274  1
  Ni  Ni208  1  0.615856  0.096318  0.627550  1
  Ni  Ni209  1  0.827820  0.544050  0.571622  1
  Ni  Ni210  1  0.721869  0.834253  0.601642  1
  Ni  Ni211  1  0.067345  0.925353  0.643205  1
  Ni  Ni212  1  0.969871  0.222174  0.669701  1
  Ni  Ni213  1  0.851151  0.496634  0.698559  1
  Ni  Ni214  1  0.816316  0.930047  0.638079  1
  Ni  Ni215  1  0.725490  0.213138  0.674893  1
  Ni  Ni216  1  0.600656  0.498891  0.696686  1
  Ni  Ni217  1  0.171300  0.857548  0.686587  1
  Ni  Ni218  1  0.042537  0.141895  0.712225  1
  Ni  Ni219  1  0.284910  0.571677  0.656217  1
  Ni  Ni220  1  0.919169  0.046246  0.683645  1
  Ni  Ni221  1  0.815349  0.321102  0.706760  1
  Ni  Ni222  1  0.045890  0.746777  0.649420  1
  Ni  Ni223  1  0.764351  0.976707  0.716084  1
  Ni  Ni224  1  0.997172  0.405994  0.663226  1
  Ni  Ni225  1  0.898601  0.669104  0.688541  1
  Ni  Ni226  1  0.567345  0.925353  0.643205  1
  Ni  Ni227  1  0.469871  0.222174  0.669701  1
  Ni  Ni228  1  0.351151  0.496634  0.698559  1
  Ni  Ni229  1  0.316316  0.930047  0.638079  1
  Ni  Ni230  1  0.225490  0.213138  0.674893  1
  Ni  Ni231  1  0.100656  0.498891  0.696686  1
  Ni  Ni232  1  0.671300  0.857548  0.686587  1
  Ni  Ni233  1  0.542537  0.141895  0.712225  1
  Ni  Ni234  1  0.784910  0.571677  0.656217  1
  Ni  Ni235  1  0.419169  0.046246  0.683645  1
  Ni  Ni236  1  0.315349  0.321102  0.706760  1
  Ni  Ni237  1  0.545890  0.746777  0.649420  1
  Ni  Ni238  1  0.264351  0.976707  0.716084  1
  Ni  Ni239  1  0.497172  0.405994  0.663226  1
  Ni  Ni240  1  0.398601  0.669104  0.688541  1
