# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.31039861
_cell_length_b   7.28663350
_cell_length_c   47.55004920
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   70.77896366
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5336.19907594
_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  0.540202  0.670587  0.319073  1
  Al  Al2  1  0.057499  0.985744  0.281642  1
  Al  Al3  1  0.690928  0.428640  0.294575  1
  Al  Al4  1  0.169149  0.075255  0.327953  1
  Al  Al5  1  0.428191  0.615513  0.275199  1
  Al  Al6  1  0.909017  0.267241  0.308885  1
  Al  Al7  1  0.321447  0.158554  0.266896  1
  Al  Al8  1  0.797900  0.853194  0.297738  1
  Al  Al9  1  0.428256  0.257110  0.309476  1
  Al  Al10  1  0.959326  0.593212  0.276993  1
  Al  Al11  1  0.645995  0.096254  0.325801  1
  Al  Al12  1  0.164008  0.447039  0.290963  1
  Al  Al13  1  0.494556  0.974583  0.384592  1
  Al  Al14  1  0.015853  0.323440  0.351375  1
  Al  Al15  1  0.647901  0.729417  0.359765  1
  Al  Al16  1  0.125399  0.378062  0.393606  1
  Al  Al17  1  0.385762  0.920246  0.342954  1
  Al  Al18  1  0.864340  0.570716  0.374747  1
  Al  Al19  1  0.277058  0.498456  0.334542  1
  Al  Al20  1  0.755746  0.145566  0.368530  1
  Al  Al21  1  0.386280  0.553630  0.376874  1
  Al  Al22  1  0.908114  0.901496  0.344453  1
  Al  Al23  1  0.603880  0.394106  0.392350  1
  Al  Al24  1  0.125606  0.744156  0.358692  1
  Al  Al25  1  0.451143  0.275084  0.451193  1
  Al  Al26  1  0.973390  0.623666  0.417886  1
  Al  Al27  1  0.603167  0.029342  0.426945  1
  Al  Al28  1  0.081497  0.679539  0.460306  1
  Al  Al29  1  0.342839  0.219846  0.408669  1
  Al  Al30  1  0.820940  0.869696  0.442261  1
  Al  Al31  1  0.233832  0.798862  0.401315  1
  Al  Al32  1  0.712262  0.449926  0.434464  1
  Al  Al33  1  0.342437  0.854070  0.443859  1
  Al  Al34  1  0.864170  0.203950  0.410287  1
  Al  Al35  1  0.560126  0.695267  0.458768  1
  Al  Al36  1  0.081623  0.045110  0.425507  1
  Al  Al37  1  0.407577  0.575256  0.518033  1
  Al  Al38  1  0.929276  0.924984  0.484593  1
  Al  Al39  1  0.559687  0.329663  0.493786  1
  Al  Al40  1  0.037609  0.980446  0.526908  1
  Al  Al41  1  0.299063  0.520512  0.475480  1
  Al  Al42  1  0.777051  0.170715  0.508857  1
  Al  Al43  1  0.190305  0.099731  0.468008  1
  Al  Al44  1  0.668322  0.750660  0.501179  1
  Al  Al45  1  0.298672  0.155065  0.510404  1
  Al  Al46  1  0.820519  0.504929  0.476807  1
  Al  Al47  1  0.516157  0.996044  0.525591  1
  Al  Al48  1  0.038073  0.345470  0.492220  1
  Al  Al49  1  0.363673  0.876352  0.584763  1
  Al  Al50  1  0.885308  0.226335  0.551185  1
  Al  Al51  1  0.515876  0.630745  0.560379  1
  Al  Al52  1  0.993834  0.280495  0.594001  1
  Al  Al53  1  0.255418  0.820995  0.542232  1
  Al  Al54  1  0.733384  0.471648  0.575433  1
  Al  Al55  1  0.146437  0.400327  0.534710  1
  Al  Al56  1  0.624610  0.050447  0.568147  1
  Al  Al57  1  0.254876  0.455936  0.576953  1
  Al  Al58  1  0.776755  0.805082  0.543814  1
  Al  Al59  1  0.472604  0.296661  0.592379  1
  Al  Al60  1  0.994378  0.646110  0.558857  1
  Al  Al61  1  0.319876  0.179275  0.650838  1
  Al  Al62  1  0.842269  0.525723  0.618072  1
  Al  Al63  1  0.472200  0.931204  0.627409  1
  Al  Al64  1  0.951393  0.577919  0.660365  1
  Al  Al65  1  0.211350  0.121927  0.609190  1
  Al  Al66  1  0.689411  0.771344  0.642662  1
  Al  Al67  1  0.102666  0.702843  0.600874  1
  Al  Al68  1  0.581034  0.352900  0.634469  1
  Al  Al69  1  0.211570  0.756126  0.643548  1
  Al  Al70  1  0.732915  0.106047  0.610358  1
  Al  Al71  1  0.428906  0.597990  0.658696  1
  Al  Al72  1  0.950326  0.947586  0.625225  1
  Al  Al73  1  0.276489  0.522776  0.720274  1
  Al  Al74  1  0.798806  0.825852  0.683777  1
  Al  Al75  1  0.427266  0.234693  0.694015  1
  Al  Al76  1  0.908090  0.887802  0.726448  1
  Al  Al77  1  0.166511  0.425127  0.674402  1
  Al  Al78  1  0.645503  0.071396  0.708371  1
  Al  Al79  1  0.059511  0.005645  0.667638  1
  Al  Al80  1  0.538226  0.659661  0.702703  1
  Al  Al81  1  0.175463  0.047012  0.711770  1
  Al  Al82  1  0.690367  0.405079  0.676339  1
  Al  Al83  1  0.376907  0.907478  0.725026  1
  Al  Al84  1  0.907531  0.243562  0.693078  1
  Ni  Ni85  1  0.554586  0.031295  0.284830  1
  Ni  Ni86  1  0.040940  0.671364  0.317970  1
  Ni  Ni87  1  0.432006  0.926913  0.294748  1
  Ni  Ni88  1  0.907807  0.590154  0.325325  1
  Ni  Ni89  1  0.669476  0.766881  0.308137  1
  Ni  Ni90  1  0.183847  0.099424  0.277629  1
  Ni  Ni91  1  0.570438  0.685676  0.270494  1
  Ni  Ni92  1  0.049468  0.316111  0.303147  1
  Ni  Ni93  1  0.551062  0.367990  0.298715  1
  Ni  Ni94  1  0.029013  0.012671  0.332432  1
  Ni  Ni95  1  0.300480  0.851037  0.301220  1
  Ni  Ni96  1  0.819855  0.194070  0.270296  1
  Ni  Ni97  1  0.684306  0.116905  0.276529  1
  Ni  Ni98  1  0.171618  0.762326  0.309189  1
  Ni  Ni99  1  0.407823  0.587648  0.326074  1
  Ni  Ni100  1  0.927390  0.929296  0.294992  1
  Ni  Ni101  1  0.304444  0.505594  0.285453  1
  Ni  Ni102  1  0.787141  0.154569  0.320443  1
  Ni  Ni103  1  0.288262  0.190447  0.316115  1
  Ni  Ni104  1  0.812451  0.535886  0.282720  1
  Ni  Ni105  1  0.516564  0.326355  0.350841  1
  Ni  Ni106  1  0.995010  0.974347  0.384457  1
  Ni  Ni107  1  0.386496  0.238095  0.359106  1
  Ni  Ni108  1  0.864846  0.884866  0.393172  1
  Ni  Ni109  1  0.624623  0.062394  0.376131  1
  Ni  Ni110  1  0.147355  0.408485  0.342779  1
  Ni  Ni111  1  0.525941  0.984970  0.336224  1
  Ni  Ni112  1  0.005514  0.632200  0.369280  1
  Ni  Ni113  1  0.507052  0.663768  0.366886  1
  Ni  Ni114  1  0.984532  0.314671  0.399718  1
  Ni  Ni115  1  0.256333  0.148837  0.368018  1
  Ni  Ni116  1  0.777566  0.499890  0.334297  1
  Ni  Ni117  1  0.648113  0.408293  0.343464  1
  Ni  Ni118  1  0.125282  0.060903  0.376445  1
  Ni  Ni119  1  0.364315  0.885329  0.393313  1
  Ni  Ni120  1  0.885699  0.235626  0.359498  1
  Ni  Ni121  1  0.266245  0.807025  0.352822  1
  Ni  Ni122  1  0.744118  0.459244  0.385835  1
  Ni  Ni123  1  0.245790  0.489287  0.383037  1
  Ni  Ni124  1  0.768141  0.840111  0.348303  1
  Ni  Ni125  1  0.473471  0.623816  0.418090  1
  Ni  Ni126  1  0.950871  0.275558  0.451120  1
  Ni  Ni127  1  0.342679  0.537314  0.426183  1
  Ni  Ni128  1  0.820623  0.187165  0.459605  1
  Ni  Ni129  1  0.581837  0.361484  0.443075  1
  Ni  Ni130  1  0.103478  0.711937  0.409485  1
  Ni  Ni131  1  0.482971  0.284771  0.402551  1
  Ni  Ni132  1  0.961147  0.934507  0.436007  1
  Ni  Ni133  1  0.462983  0.964725  0.433156  1
  Ni  Ni134  1  0.941285  0.614805  0.466465  1
  Ni  Ni135  1  0.212153  0.449823  0.434528  1
  Ni  Ni136  1  0.734040  0.800896  0.400680  1
  Ni  Ni137  1  0.603927  0.712606  0.409347  1
  Ni  Ni138  1  0.081769  0.361848  0.442946  1
  Ni  Ni139  1  0.320718  0.187593  0.459565  1
  Ni  Ni140  1  0.842483  0.538547  0.425815  1
  Ni  Ni141  1  0.222192  0.109182  0.419452  1
  Ni  Ni142  1  0.700271  0.760087  0.452496  1
  Ni  Ni143  1  0.202061  0.789896  0.449821  1
  Ni  Ni144  1  0.723910  0.138919  0.416769  1
  Ni  Ni145  1  0.429288  0.925253  0.484635  1
  Ni  Ni146  1  0.907565  0.575036  0.517974  1
  Ni  Ni147  1  0.298932  0.837428  0.493036  1
  Ni  Ni148  1  0.776928  0.488622  0.526140  1
  Ni  Ni149  1  0.537948  0.663167  0.509580  1
  Ni  Ni150  1  0.059603  0.013013  0.476192  1
  Ni  Ni151  1  0.439483  0.584709  0.469471  1
  Ni  Ni152  1  0.917279  0.235553  0.502620  1
  Ni  Ni153  1  0.419334  0.265417  0.499816  1
  Ni  Ni154  1  0.897355  0.915584  0.533145  1
  Ni  Ni155  1  0.168329  0.750677  0.501192  1
  Ni  Ni156  1  0.690258  0.099140  0.468084  1
  Ni  Ni157  1  0.559635  0.012760  0.476255  1
  Ni  Ni158  1  0.037953  0.662777  0.509582  1
  Ni  Ni159  1  0.276957  0.488297  0.526229  1
  Ni  Ni160  1  0.798914  0.837090  0.493027  1
  Ni  Ni161  1  0.178380  0.410145  0.486069  1
  Ni  Ni162  1  0.656462  0.060188  0.519527  1
  Ni  Ni163  1  0.158390  0.090385  0.516557  1
  Ni  Ni164  1  0.680304  0.440186  0.483082  1
  Ni  Ni165  1  0.385599  0.225953  0.551300  1
  Ni  Ni166  1  0.863657  0.875800  0.584573  1
  Ni  Ni167  1  0.255062  0.138147  0.559748  1
  Ni  Ni168  1  0.733135  0.787762  0.593189  1
  Ni  Ni169  1  0.494107  0.963486  0.576462  1
  Ni  Ni170  1  0.015980  0.312627  0.543082  1
  Ni  Ni171  1  0.395576  0.885681  0.536139  1
  Ni  Ni172  1  0.873790  0.535607  0.569472  1
  Ni  Ni173  1  0.375680  0.565883  0.566620  1
  Ni  Ni174  1  0.853445  0.216545  0.599792  1
  Ni  Ni175  1  0.124708  0.050664  0.568026  1
  Ni  Ni176  1  0.646523  0.400942  0.534567  1
  Ni  Ni177  1  0.516145  0.312999  0.543056  1
  Ni  Ni178  1  0.993913  0.964649  0.576062  1
  Ni  Ni179  1  0.233553  0.788578  0.592975  1
  Ni  Ni180  1  0.754984  0.138414  0.559603  1
  Ni  Ni181  1  0.134663  0.711140  0.552522  1
  Ni  Ni182  1  0.612798  0.361422  0.585997  1
  Ni  Ni183  1  0.114424  0.390659  0.583387  1
  Ni  Ni184  1  0.636433  0.741004  0.549855  1
  Ni  Ni185  1  0.341870  0.525731  0.618191  1
  Ni  Ni186  1  0.819239  0.176124  0.651342  1
  Ni  Ni187  1  0.210613  0.440751  0.625934  1
  Ni  Ni188  1  0.689124  0.089361  0.659430  1
  Ni  Ni189  1  0.450822  0.264206  0.643226  1
  Ni  Ni190  1  0.972765  0.613260  0.609638  1
  Ni  Ni191  1  0.351947  0.186564  0.602639  1
  Ni  Ni192  1  0.830305  0.835836  0.635845  1
  Ni  Ni193  1  0.331770  0.867437  0.633420  1
  Ni  Ni194  1  0.810976  0.515359  0.666414  1
  Ni  Ni195  1  0.080217  0.348537  0.635318  1
  Ni  Ni196  1  0.602550  0.701418  0.601496  1
  Ni  Ni197  1  0.472169  0.614670  0.609645  1
  Ni  Ni198  1  0.949629  0.262258  0.643499  1
  Ni  Ni199  1  0.190252  0.088512  0.660197  1
  Ni  Ni200  1  0.711622  0.439762  0.626113  1
  Ni  Ni201  1  0.091014  0.011100  0.619373  1
  Ni  Ni202  1  0.568709  0.661612  0.653335  1
  Ni  Ni203  1  0.070230  0.695070  0.649166  1
  Ni  Ni204  1  0.592749  0.041247  0.616780  1
  Ni  Ni205  1  0.298316  0.822744  0.684874  1
  Ni  Ni206  1  0.779911  0.469178  0.717468  1
  Ni  Ni207  1  0.165260  0.740687  0.692176  1
  Ni  Ni208  1  0.647133  0.388178  0.725086  1
  Ni  Ni209  1  0.413683  0.561610  0.709343  1
  Ni  Ni210  1  0.928550  0.917264  0.675564  1
  Ni  Ni211  1  0.307514  0.487355  0.670003  1
  Ni  Ni212  1  0.784341  0.133054  0.703451  1
  Ni  Ni213  1  0.286366  0.186555  0.699188  1
  Ni  Ni214  1  0.766932  0.812875  0.732017  1
  Ni  Ni215  1  0.036226  0.656913  0.700087  1
  Ni  Ni216  1  0.559077  1.000390  0.668417  1
  Ni  Ni217  1  0.427707  0.916025  0.676468  1
  Ni  Ni218  1  0.908368  0.563361  0.709787  1
  Ni  Ni219  1  0.149296  0.400577  0.724505  1
  Ni  Ni220  1  0.668381  0.734852  0.693966  1
  Ni  Ni221  1  0.048044  0.308854  0.688780  1
  Ni  Ni222  1  0.523477  0.969872  0.719927  1
  Ni  Ni223  1  0.033048  0.994017  0.716432  1
  Ni  Ni224  1  0.549369  0.345119  0.683039  1
