# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.14827755
_cell_length_b   7.87587441
_cell_length_c   47.66538443
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   67.43745634
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5598.17876975
_cell_formula_units_Z   28
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  0.533334  0.926972  0.313738  1
  Al  Al2  1  0.060966  0.279639  0.275321  1
  Al  Al3  1  0.683152  0.706006  0.285269  1
  Al  Al4  1  0.158852  0.324889  0.322612  1
  Al  Al5  1  0.430560  0.906007  0.269120  1
  Al  Al6  1  0.907862  0.521895  0.301145  1
  Al  Al7  1  0.270843  0.738452  0.329724  1
  Al  Al8  1  0.792230  0.121169  0.292059  1
  Al  Al9  1  0.416377  0.520362  0.301871  1
  Al  Al10  1  0.951017  0.880010  0.270816  1
  Al  Al11  1  0.645678  0.338662  0.321863  1
  Al  Al12  1  0.168798  0.718943  0.283730  1
  Al  Al13  1  0.486625  0.176977  0.379345  1
  Al  Al14  1  0.009396  0.550637  0.345870  1
  Al  Al15  1  0.636881  0.952344  0.354863  1
  Al  Al16  1  0.112616  0.577547  0.388019  1
  Al  Al17  1  0.383662  0.151907  0.337934  1
  Al  Al18  1  0.860357  0.775643  0.369996  1
  Al  Al19  1  0.224793  0.989064  0.396111  1
  Al  Al20  1  0.748823  0.363511  0.362528  1
  Al  Al21  1  0.374484  0.764767  0.371574  1
  Al  Al22  1  0.897615  0.137759  0.338290  1
  Al  Al23  1  0.598971  0.588013  0.386767  1
  Al  Al24  1  0.121977  0.963029  0.353957  1
  Al  Al25  1  0.439939  0.427280  0.445985  1
  Al  Al26  1  0.963050  0.801708  0.412493  1
  Al  Al27  1  0.589409  0.202604  0.421473  1
  Al  Al28  1  0.065704  0.828198  0.454831  1
  Al  Al29  1  0.337325  0.401338  0.403777  1
  Al  Al30  1  0.813680  0.026197  0.437100  1
  Al  Al31  1  0.178016  0.240038  0.462725  1
  Al  Al32  1  0.701595  0.614445  0.429194  1
  Al  Al33  1  0.327579  0.015393  0.438294  1
  Al  Al34  1  0.851018  0.390044  0.404512  1
  Al  Al35  1  0.552151  0.838903  0.453883  1
  Al  Al36  1  0.075123  0.213749  0.420512  1
  Al  Al37  1  0.393044  0.677999  0.512798  1
  Al  Al38  1  0.916237  0.052708  0.479319  1
  Al  Al39  1  0.542514  0.453534  0.488207  1
  Al  Al40  1  0.018934  0.079012  0.521553  1
  Al  Al41  1  0.290366  0.651670  0.470572  1
  Al  Al42  1  0.766782  0.277167  0.503873  1
  Al  Al43  1  0.131284  0.490633  0.529417  1
  Al  Al44  1  0.654629  0.865337  0.496057  1
  Al  Al45  1  0.280810  0.266214  0.504951  1
  Al  Al46  1  0.804093  0.640901  0.471457  1
  Al  Al47  1  0.505175  0.089791  0.520659  1
  Al  Al48  1  0.028488  0.464472  0.487173  1
  Al  Al49  1  0.346298  0.928851  0.579672  1
  Al  Al50  1  0.869372  0.303442  0.546090  1
  Al  Al51  1  0.495577  0.704511  0.555035  1
  Al  Al52  1  0.972073  0.329465  0.588306  1
  Al  Al53  1  0.243582  0.902484  0.537302  1
  Al  Al54  1  0.719847  0.528116  0.570624  1
  Al  Al55  1  0.084451  0.741645  0.596048  1
  Al  Al56  1  0.607684  0.116187  0.562890  1
  Al  Al57  1  0.234073  0.517040  0.571618  1
  Al  Al58  1  0.757124  0.891730  0.538235  1
  Al  Al59  1  0.458301  0.340873  0.587492  1
  Al  Al60  1  0.981733  0.715207  0.553861  1
  Al  Al61  1  0.298969  0.180078  0.646035  1
  Al  Al62  1  0.822540  0.554024  0.612736  1
  Al  Al63  1  0.449250  0.954691  0.622227  1
  Al  Al64  1  0.926106  0.578878  0.654431  1
  Al  Al65  1  0.196739  0.152979  0.604189  1
  Al  Al66  1  0.672105  0.778817  0.637381  1
  Al  Al67  1  0.038846  0.991727  0.662350  1
  Al  Al68  1  0.560915  0.367492  0.629456  1
  Al  Al69  1  0.187195  0.768109  0.638222  1
  Al  Al70  1  0.710195  0.142395  0.605204  1
  Al  Al71  1  0.412035  0.592140  0.654061  1
  Al  Al72  1  0.934741  0.965718  0.620537  1
  Al  Al73  1  0.248823  0.447875  0.717192  1
  Al  Al74  1  0.776710  0.803577  0.678607  1
  Al  Al75  1  0.397294  0.209514  0.688355  1
  Al  Al76  1  0.880588  0.827149  0.723536  1
  Al  Al77  1  0.149876  0.406304  0.669955  1
  Al  Al78  1  0.631597  0.016997  0.706575  1
  Al  Al79  1  0.985539  0.258393  0.730762  1
  Al  Al80  1  0.517266  0.613375  0.701008  1
  Al  Al81  1  0.146109  1.003000  0.708677  1
  Al  Al82  1  0.663363  0.392344  0.670767  1
  Al  Al83  1  0.360061  0.850216  0.721545  1
  Al  Al84  1  0.889359  0.212239  0.687669  1
  Ni  Ni85  1  0.556842  0.305423  0.282054  1
  Ni  Ni86  1  0.035081  0.922743  0.312950  1
  Ni  Ni87  1  0.679899  0.404948  0.274141  1
  Ni  Ni88  1  0.163685  0.023104  0.304630  1
  Ni  Ni89  1  0.402541  0.834977  0.321202  1
  Ni  Ni90  1  0.927700  0.199874  0.289718  1
  Ni  Ni91  1  0.567433  0.005021  0.267307  1
  Ni  Ni92  1  0.046890  0.600070  0.297161  1
  Ni  Ni93  1  0.543404  0.626396  0.295690  1
  Ni  Ni94  1  0.022344  0.244268  0.328099  1
  Ni  Ni95  1  0.294957  0.117454  0.297108  1
  Ni  Ni96  1  0.771610  0.736420  0.329137  1
  Ni  Ni97  1  0.424130  0.209892  0.289086  1
  Ni  Ni98  1  0.903314  0.833147  0.320516  1
  Ni  Ni99  1  0.664941  0.024001  0.304851  1
  Ni  Ni100  1  0.190142  0.390941  0.274846  1
  Ni  Ni101  1  0.303125  0.814373  0.282410  1
  Ni  Ni102  1  0.782891  0.422424  0.312882  1
  Ni  Ni103  1  0.283103  0.435192  0.312065  1
  Ni  Ni104  1  0.806507  0.813848  0.281509  1
  Ni  Ni105  1  0.508566  0.552577  0.345238  1
  Ni  Ni106  1  0.986431  0.176808  0.379078  1
  Ni  Ni107  1  0.641465  0.645595  0.336723  1
  Ni  Ni108  1  0.117082  0.269745  0.371207  1
  Ni  Ni109  1  0.355651  0.082679  0.387949  1
  Ni  Ni110  1  0.879772  0.456851  0.353297  1
  Ni  Ni111  1  0.519761  0.237453  0.329815  1
  Ni  Ni112  1  0.998308  0.857829  0.362853  1
  Ni  Ni113  1  0.498788  0.868131  0.362467  1
  Ni  Ni114  1  0.974850  0.494067  0.395364  1
  Ni  Ni115  1  0.248436  0.364803  0.362779  1
  Ni  Ni116  1  0.725295  0.989127  0.395767  1
  Ni  Ni117  1  0.379567  0.459050  0.353747  1
  Ni  Ni118  1  0.855658  0.082109  0.387525  1
  Ni  Ni119  1  0.617496  0.269798  0.371087  1
  Ni  Ni120  1  0.141195  0.643976  0.336861  1
  Ni  Ni121  1  0.260073  0.045151  0.346599  1
  Ni  Ni122  1  0.736532  0.671099  0.379523  1
  Ni  Ni123  1  0.236719  0.681267  0.378916  1
  Ni  Ni124  1  0.762139  0.055482  0.344182  1
  Ni  Ni125  1  0.463446  0.801491  0.412760  1
  Ni  Ni126  1  0.939567  0.427371  0.445917  1
  Ni  Ni127  1  0.594294  0.895304  0.404324  1
  Ni  Ni128  1  0.070504  0.520991  0.437593  1
  Ni  Ni129  1  0.309014  0.333636  0.454361  1
  Ni  Ni130  1  0.832286  0.708229  0.420805  1
  Ni  Ni131  1  0.474674  0.484782  0.396292  1
  Ni  Ni132  1  0.950906  0.109921  0.429690  1
  Ni  Ni133  1  0.451956  0.119131  0.428932  1
  Ni  Ni134  1  0.928322  0.744657  0.462139  1
  Ni  Ni135  1  0.201443  0.614587  0.429358  1
  Ni  Ni136  1  0.678105  0.239900  0.462660  1
  Ni  Ni137  1  0.332381  0.708285  0.421060  1
  Ni  Ni138  1  0.808920  0.333633  0.454244  1
  Ni  Ni139  1  0.570827  0.520834  0.437569  1
  Ni  Ni140  1  0.093758  0.895636  0.404341  1
  Ni  Ni141  1  0.212804  0.297440  0.413187  1
  Ni  Ni142  1  0.689522  0.922419  0.446413  1
  Ni  Ni143  1  0.190028  0.931950  0.445620  1
  Ni  Ni144  1  0.713663  0.306531  0.412138  1
  Ni  Ni145  1  0.416452  0.052600  0.479437  1
  Ni  Ni146  1  0.892841  0.678074  0.512689  1
  Ni  Ni147  1  0.547282  0.146262  0.471058  1
  Ni  Ni148  1  0.023736  0.771711  0.504355  1
  Ni  Ni149  1  0.262201  0.584357  0.521102  1
  Ni  Ni150  1  0.785434  0.959002  0.487681  1
  Ni  Ni151  1  0.427873  0.735114  0.463209  1
  Ni  Ni152  1  0.904184  0.360720  0.496479  1
  Ni  Ni153  1  0.405109  0.369997  0.495615  1
  Ni  Ni154  1  0.881436  0.995492  0.528912  1
  Ni  Ni155  1  0.154641  0.865344  0.496066  1
  Ni  Ni156  1  0.631182  0.490824  0.529422  1
  Ni  Ni157  1  0.285558  0.958954  0.487783  1
  Ni  Ni158  1  0.761993  0.584431  0.521046  1
  Ni  Ni159  1  0.523833  0.771669  0.504440  1
  Ni  Ni160  1  0.047075  0.146360  0.471024  1
  Ni  Ni161  1  0.166007  0.548004  0.479829  1
  Ni  Ni162  1  0.642535  0.173377  0.513240  1
  Ni  Ni163  1  0.143295  0.182673  0.512302  1
  Ni  Ni164  1  0.666749  0.557321  0.478848  1
  Ni  Ni165  1  0.369684  0.303383  0.546181  1
  Ni  Ni166  1  0.845865  0.928946  0.579368  1
  Ni  Ni167  1  0.500383  0.397110  0.537819  1
  Ni  Ni168  1  0.976888  0.022468  0.571066  1
  Ni  Ni169  1  0.215499  0.835131  0.587796  1
  Ni  Ni170  1  0.738495  0.209813  0.554492  1
  Ni  Ni171  1  0.380954  0.986029  0.530004  1
  Ni  Ni172  1  0.857343  0.611506  0.563182  1
  Ni  Ni173  1  0.358345  0.620889  0.562423  1
  Ni  Ni174  1  0.834504  0.246062  0.595707  1
  Ni  Ni175  1  0.107898  0.116131  0.562774  1
  Ni  Ni176  1  0.584014  0.741495  0.596363  1
  Ni  Ni177  1  0.238775  0.209618  0.554547  1
  Ni  Ni178  1  0.714940  0.835272  0.587817  1
  Ni  Ni179  1  0.476995  0.022474  0.571336  1
  Ni  Ni180  1  1.000314  0.397055  0.537749  1
  Ni  Ni181  1  0.119240  0.798784  0.546522  1
  Ni  Ni182  1  0.595687  0.424195  0.579908  1
  Ni  Ni183  1  0.096560  0.433144  0.578993  1
  Ni  Ni184  1  0.619729  0.808254  0.545701  1
  Ni  Ni185  1  0.322708  0.554336  0.612984  1
  Ni  Ni186  1  0.799504  0.178025  0.646376  1
  Ni  Ni187  1  0.453669  0.648450  0.604687  1
  Ni  Ni188  1  0.929859  0.272243  0.638007  1
  Ni  Ni189  1  0.168101  0.086232  0.655584  1
  Ni  Ni190  1  0.691576  0.461188  0.621082  1
  Ni  Ni191  1  0.334368  0.236724  0.596670  1
  Ni  Ni192  1  0.810505  0.862097  0.629712  1
  Ni  Ni193  1  0.311269  0.872170  0.629304  1
  Ni  Ni194  1  0.788241  0.495671  0.662172  1
  Ni  Ni195  1  0.061128  0.365478  0.629503  1
  Ni  Ni196  1  0.537966  0.995412  0.663363  1
  Ni  Ni197  1  0.191983  0.461278  0.621012  1
  Ni  Ni198  1  0.668007  0.085278  0.655436  1
  Ni  Ni199  1  0.429565  0.274453  0.638295  1
  Ni  Ni200  1  0.953715  0.647640  0.604263  1
  Ni  Ni201  1  0.072657  0.049424  0.613177  1
  Ni  Ni202  1  0.547472  0.674820  0.648140  1
  Ni  Ni203  1  0.049452  0.685210  0.645624  1
  Ni  Ni204  1  0.572849  0.059618  0.612608  1
  Ni  Ni205  1  0.275681  0.806043  0.679103  1
  Ni  Ni206  1  0.753690  0.421632  0.710615  1
  Ni  Ni207  1  0.406904  0.896498  0.671736  1
  Ni  Ni208  1  0.884679  0.522163  0.703061  1
  Ni  Ni209  1  0.118934  0.336311  0.717788  1
  Ni  Ni210  1  0.644173  0.707123  0.687760  1
  Ni  Ni211  1  0.286062  0.488453  0.663987  1
  Ni  Ni212  1  0.766117  0.104812  0.696834  1
  Ni  Ni213  1  0.262501  0.129969  0.695245  1
  Ni  Ni214  1  0.744265  0.721057  0.725394  1
  Ni  Ni215  1  0.014868  0.616164  0.695820  1
  Ni  Ni216  1  0.491678  0.246783  0.725035  1
  Ni  Ni217  1  0.144775  0.709183  0.687871  1
  Ni  Ni218  1  0.626859  0.323684  0.718483  1
  Ni  Ni219  1  0.382774  0.526922  0.703045  1
  Ni  Ni220  1  0.907402  0.895609  0.671125  1
  Ni  Ni221  1  0.026449  0.294486  0.679970  1
  Ni  Ni222  1  0.500976  0.929420  0.711236  1
  Ni  Ni223  1  0.004443  0.931673  0.710201  1
  Ni  Ni224  1  0.526818  0.309871  0.678378  1
