# generated using pymatgen
data_Al3Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.92963002
_cell_length_b   15.35524137
_cell_length_c   47.98582074
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   76.90876083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni2
_chemical_formula_sum   'Al99 Ni66'
_cell_volume   4973.28458491
_cell_formula_units_Z   33
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  0.809196  0.895366  0.272307  1
  Al  Al2  1  0.636470  0.210576  0.283634  1
  Al  Al3  1  0.467302  0.538091  0.297171  1
  Al  Al4  1  0.370887  0.096847  0.281461  1
  Al  Al5  1  0.196637  0.423343  0.295455  1
  Al  Al6  1  0.030752  0.752600  0.307652  1
  Al  Al7  1  0.087350  0.996768  0.281012  1
  Al  Al8  1  0.905695  0.325289  0.291315  1
  Al  Al9  1  0.736053  0.655055  0.303998  1
  Al  Al10  1  0.306095  0.855138  0.311281  1
  Al  Al11  1  0.142915  0.191992  0.327684  1
  Al  Al12  1  0.976783  0.520721  0.341456  1
  Al  Al13  1  0.865094  0.079703  0.322485  1
  Al  Al14  1  0.702645  0.406285  0.335915  1
  Al  Al15  1  0.541121  0.733166  0.349353  1
  Al  Al16  1  0.581888  0.981865  0.319502  1
  Al  Al17  1  0.417473  0.308343  0.331913  1
  Al  Al18  1  0.251179  0.634829  0.345549  1
  Al  Al19  1  0.813326  0.844109  0.354781  1
  Al  Al20  1  0.650498  0.175956  0.368448  1
  Al  Al21  1  0.486393  0.503018  0.382043  1
  Al  Al22  1  0.374755  0.061553  0.363026  1
  Al  Al23  1  0.211753  0.389358  0.376913  1
  Al  Al24  1  0.047187  0.715733  0.391413  1
  Al  Al25  1  0.092168  0.961781  0.359429  1
  Al  Al26  1  0.925526  0.289220  0.372764  1
  Al  Al27  1  0.759822  0.616079  0.386521  1
  Al  Al28  1  0.322342  0.829519  0.396183  1
  Al  Al29  1  0.159371  0.157364  0.410365  1
  Al  Al30  1  0.995216  0.484416  0.424168  1
  Al  Al31  1  0.883607  0.042973  0.405477  1
  Al  Al32  1  0.720648  0.370438  0.419298  1
  Al  Al33  1  0.556718  0.697648  0.433313  1
  Al  Al34  1  0.595621  0.943277  0.400559  1
  Al  Al35  1  0.433937  0.271135  0.415153  1
  Al  Al36  1  0.270014  0.598416  0.429064  1
  Al  Al37  1  0.830955  0.811874  0.438123  1
  Al  Al38  1  0.667808  0.138956  0.451958  1
  Al  Al39  1  0.503997  0.466483  0.465859  1
  Al  Al40  1  0.393645  0.025200  0.447111  1
  Al  Al41  1  0.229653  0.352737  0.461090  1
  Al  Al42  1  0.065605  0.679966  0.475138  1
  Al  Al43  1  0.105816  0.925592  0.442952  1
  Al  Al44  1  0.942382  0.252948  0.456921  1
  Al  Al45  1  0.778301  0.580330  0.470746  1
  Al  Al46  1  0.340143  0.793843  0.479919  1
  Al  Al47  1  0.176588  0.121023  0.493859  1
  Al  Al48  1  0.012688  0.448670  0.507773  1
  Al  Al49  1  0.901882  0.007167  0.489041  1
  Al  Al50  1  0.738128  0.334588  0.502934  1
  Al  Al51  1  0.574655  0.661953  0.516968  1
  Al  Al52  1  0.614323  0.907680  0.484729  1
  Al  Al53  1  0.451166  0.235129  0.498702  1
  Al  Al54  1  0.287250  0.562539  0.512616  1
  Al  Al55  1  0.848946  0.775826  0.521824  1
  Al  Al56  1  0.685239  0.103163  0.535747  1
  Al  Al57  1  0.521424  0.430865  0.549658  1
  Al  Al58  1  0.410978  0.989324  0.530885  1
  Al  Al59  1  0.246846  0.316797  0.544699  1
  Al  Al60  1  0.083420  0.644086  0.558832  1
  Al  Al61  1  0.123610  0.889703  0.526586  1
  Al  Al62  1  0.959667  0.217005  0.540516  1
  Al  Al63  1  0.795630  0.544534  0.554482  1
  Al  Al64  1  0.358074  0.757604  0.563693  1
  Al  Al65  1  0.194086  0.085228  0.577434  1
  Al  Al66  1  0.030038  0.412543  0.591301  1
  Al  Al67  1  0.919167  0.971236  0.572576  1
  Al  Al68  1  0.755341  0.298622  0.586454  1
  Al  Al69  1  0.593381  0.626290  0.601158  1
  Al  Al70  1  0.632244  0.871888  0.568462  1
  Al  Al71  1  0.468733  0.199309  0.582281  1
  Al  Al72  1  0.305377  0.526864  0.596287  1
  Al  Al73  1  0.867051  0.740016  0.605467  1
  Al  Al74  1  0.702956  0.066783  0.619507  1
  Al  Al75  1  0.538715  0.394097  0.633098  1
  Al  Al76  1  0.429164  0.953519  0.615122  1
  Al  Al77  1  0.263675  0.280732  0.628819  1
  Al  Al78  1  0.099274  0.608155  0.643265  1
  Al  Al79  1  0.142189  0.853732  0.610396  1
  Al  Al80  1  0.977733  0.180350  0.624613  1
  Al  Al81  1  0.815651  0.508277  0.638549  1
  Al  Al82  1  0.375326  0.724438  0.646983  1
  Al  Al83  1  0.212281  0.049376  0.660060  1
  Al  Al84  1  0.046422  0.378458  0.673883  1
  Al  Al85  1  0.937605  0.934897  0.655996  1
  Al  Al86  1  0.772168  0.261055  0.669536  1
  Al  Al87  1  0.607280  0.586926  0.681088  1
  Al  Al88  1  0.648128  0.836424  0.652306  1
  Al  Al89  1  0.486719  0.163514  0.665654  1
  Al  Al90  1  0.324518  0.489990  0.679200  1
  Al  Al91  1  0.881842  0.713160  0.690175  1
  Al  Al92  1  0.721691  0.031225  0.704356  1
  Al  Al93  1  0.554391  0.356735  0.717742  1
  Al  Al94  1  0.452053  0.915355  0.697066  1
  Al  Al95  1  0.282911  0.244336  0.710098  1
  Al  Al96  1  0.097006  0.573323  0.720237  1
  Al  Al97  1  0.156505  0.818718  0.693304  1
  Al  Al98  1  0.991777  0.146517  0.706178  1
  Al  Al99  1  0.821029  0.472163  0.719470  1
  Ni  Ni100  1  0.449834  0.932635  0.276084  1
  Ni  Ni101  1  0.270479  0.259617  0.288752  1
  Ni  Ni102  1  0.101996  0.587737  0.302220  1
  Ni  Ni103  1  1.002305  0.160823  0.284413  1
  Ni  Ni104  1  0.833061  0.489750  0.298186  1
  Ni  Ni105  1  0.667893  0.819465  0.310459  1
  Ni  Ni106  1  0.945963  0.915885  0.317331  1
  Ni  Ni107  1  0.781519  0.242303  0.328639  1
  Ni  Ni108  1  0.615797  0.569657  0.341952  1
  Ni  Ni109  1  0.503058  0.146128  0.324710  1
  Ni  Ni110  1  0.338002  0.472482  0.338273  1
  Ni  Ni111  1  0.172292  0.797743  0.352563  1
  Ni  Ni112  1  0.452261  0.896313  0.355857  1
  Ni  Ni113  1  0.292123  0.225581  0.370839  1
  Ni  Ni114  1  0.127498  0.552746  0.384710  1
  Ni  Ni115  1  0.009056  0.125008  0.366779  1
  Ni  Ni116  1  0.845188  0.451935  0.380382  1
  Ni  Ni117  1  0.680513  0.778908  0.394331  1
  Ni  Ni118  1  0.962582  0.879706  0.398392  1
  Ni  Ni119  1  0.800476  0.207184  0.412305  1
  Ni  Ni120  1  0.636113  0.534433  0.426069  1
  Ni  Ni121  1  0.517979  0.106888  0.407887  1
  Ni  Ni122  1  0.354411  0.434643  0.421793  1
  Ni  Ni123  1  0.190299  0.761838  0.435969  1
  Ni  Ni124  1  0.471891  0.861764  0.440103  1
  Ni  Ni125  1  0.308800  0.189140  0.454245  1
  Ni  Ni126  1  0.144723  0.516529  0.468097  1
  Ni  Ni127  1  0.027141  0.089032  0.449949  1
  Ni  Ni128  1  0.863287  0.416436  0.463853  1
  Ni  Ni129  1  0.699414  0.743782  0.477855  1
  Ni  Ni130  1  0.980715  0.843740  0.482074  1
  Ni  Ni131  1  0.817147  0.171009  0.495972  1
  Ni  Ni132  1  0.653376  0.498497  0.509864  1
  Ni  Ni133  1  0.535834  0.071196  0.491739  1
  Ni  Ni134  1  0.372125  0.398709  0.505648  1
  Ni  Ni135  1  0.208367  0.725921  0.519691  1
  Ni  Ni136  1  0.489660  0.825806  0.523910  1
  Ni  Ni137  1  0.325983  0.153263  0.537763  1
  Ni  Ni138  1  0.162188  0.480719  0.551704  1
  Ni  Ni139  1  0.044499  0.053179  0.533530  1
  Ni  Ni140  1  0.880535  0.380619  0.547403  1
  Ni  Ni141  1  0.717069  0.707846  0.561592  1
  Ni  Ni142  1  0.998862  0.807883  0.565759  1
  Ni  Ni143  1  0.834921  0.135082  0.579777  1
  Ni  Ni144  1  0.671404  0.462892  0.593699  1
  Ni  Ni145  1  0.553088  0.035208  0.575538  1
  Ni  Ni146  1  0.388821  0.362612  0.589282  1
  Ni  Ni147  1  0.226181  0.689660  0.603527  1
  Ni  Ni148  1  0.508471  0.790487  0.607520  1
  Ni  Ni149  1  0.344274  0.117870  0.621168  1
  Ni  Ni150  1  0.180580  0.445240  0.634911  1
  Ni  Ni151  1  0.061749  0.016879  0.616877  1
  Ni  Ni152  1  0.897238  0.344172  0.630764  1
  Ni  Ni153  1  0.738015  0.673556  0.645568  1
  Ni  Ni154  1  0.016019  0.771878  0.649091  1
  Ni  Ni155  1  0.851205  0.097153  0.663296  1
  Ni  Ni156  1  0.686434  0.422698  0.676709  1
  Ni  Ni157  1  0.573410  1.000242  0.659499  1
  Ni  Ni158  1  0.407584  0.327590  0.672852  1
  Ni  Ni159  1  0.247706  0.655260  0.686125  1
  Ni  Ni160  1  0.519671  0.750109  0.691167  1
  Ni  Ni161  1  0.355918  0.080043  0.703370  1
  Ni  Ni162  1  0.187842  0.408619  0.717151  1
  Ni  Ni163  1  0.086586  0.982810  0.699236  1
  Ni  Ni164  1  0.919314  0.309997  0.712687  1
  Ni  Ni165  1  0.723730  0.636440  0.724890  1
