# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.63811235
_cell_length_b   8.48811250
_cell_length_c   49.53101155
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   117.46295309
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al84 Ni140'
_cell_volume   5460.70090583
_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  0.748606  0.989263  0.268644  1
  Al  Al2  1  0.337439  0.683787  0.293933  1
  Al  Al3  1  0.821572  0.940883  0.321247  1
  Al  Al4  1  0.288943  0.321901  0.286742  1
  Al  Al5  1  0.791694  0.359936  0.283234  1
  Al  Al6  1  0.318842  0.981603  0.316974  1
  Al  Al7  1  0.561721  0.451572  0.319981  1
  Al  Al8  1  0.049471  0.847756  0.280600  1
  Al  Al9  1  0.566998  0.147275  0.302428  1
  Al  Al10  1  0.018632  0.488905  0.272350  1
  Al  Al11  1  0.590843  0.803506  0.333681  1
  Al  Al12  1  0.052257  0.171296  0.299790  1
  Al  Al13  1  0.851022  0.296513  0.333750  1
  Al  Al14  1  0.354002  0.883997  0.366724  1
  Al  Al15  1  0.897096  0.207503  0.386317  1
  Al  Al16  1  0.361745  0.575180  0.349709  1
  Al  Al17  1  0.860570  0.622861  0.349367  1
  Al  Al18  1  0.391216  0.239950  0.381978  1
  Al  Al19  1  0.647953  0.731392  0.383894  1
  Al  Al20  1  0.096493  0.082419  0.351492  1
  Al  Al21  1  0.625817  0.384220  0.369646  1
  Al  Al22  1  0.096784  0.761026  0.335059  1
  Al  Al23  1  0.657167  0.057367  0.399407  1
  Al  Al24  1  0.124911  0.430061  0.364982  1
  Al  Al25  1  0.904333  0.530734  0.402322  1
  Al  Al26  1  0.459265  0.173725  0.433158  1
  Al  Al27  1  0.966024  0.457228  0.453295  1
  Al  Al28  1  0.429665  0.829324  0.419325  1
  Al  Al29  1  0.926760  0.867353  0.416497  1
  Al  Al30  1  0.463978  0.497880  0.449729  1
  Al  Al31  1  0.716575  0.976083  0.451754  1
  Al  Al32  1  0.180650  0.348390  0.417598  1
  Al  Al33  1  0.698351  0.645497  0.436396  1
  Al  Al34  1  0.164919  0.018231  0.402727  1
  Al  Al35  1  0.729329  0.309671  0.467005  1
  Al  Al36  1  0.197375  0.684565  0.432607  1
  Al  Al37  1  0.989661  0.795985  0.467780  1
  Al  Al38  1  0.514956  0.417028  0.502267  1
  Al  Al39  1  0.036022  0.715123  0.520594  1
  Al  Al40  1  0.501085  0.086624  0.486803  1
  Al  Al41  1  0.998052  0.127131  0.483562  1
  Al  Al42  1  0.532281  0.754234  0.517239  1
  Al  Al43  1  0.781846  0.234130  0.519350  1
  Al  Al44  1  0.257579  0.613632  0.484367  1
  Al  Al45  1  0.767421  0.898866  0.504222  1
  Al  Al46  1  0.234185  0.271889  0.469968  1
  Al  Al47  1  0.799374  0.569942  0.534311  1
  Al  Al48  1  0.266051  0.941847  0.499913  1
  Al  Al49  1  0.046530  0.047413  0.536146  1
  Al  Al50  1  0.578082  0.675793  0.570644  1
  Al  Al51  1  0.107851  0.972503  0.587455  1
  Al  Al52  1  0.569293  0.343267  0.554525  1
  Al  Al53  1  0.067874  0.383241  0.550814  1
  Al  Al54  1  0.601919  0.011039  0.585275  1
  Al  Al55  1  0.849649  0.489415  0.586547  1
  Al  Al56  1  0.308065  0.854983  0.553066  1
  Al  Al57  1  0.836611  0.157870  0.571452  1
  Al  Al58  1  0.304206  0.530386  0.537007  1
  Al  Al59  1  0.866907  0.819168  0.601391  1
  Al  Al60  1  0.336665  0.197911  0.567655  1
  Al  Al61  1  0.119078  0.299365  0.602547  1
  Al  Al62  1  0.676821  0.948914  0.637984  1
  Al  Al63  1  0.172094  0.218821  0.653908  1
  Al  Al64  1  0.642881  0.604247  0.622651  1
  Al  Al65  1  0.139171  0.638435  0.617195  1
  Al  Al66  1  0.672217  0.260887  0.653980  1
  Al  Al67  1  0.930323  0.742948  0.652835  1
  Al  Al68  1  0.401944  0.128138  0.619516  1
  Al  Al69  1  0.907231  0.406392  0.638694  1
  Al  Al70  1  0.377599  0.786537  0.604580  1
  Al  Al71  1  0.942810  0.085707  0.667858  1
  Al  Al72  1  0.408599  0.457405  0.635592  1
  Al  Al73  1  0.207959  0.573789  0.668224  1
  Al  Al74  1  0.700830  0.164841  0.708098  1
  Al  Al75  1  0.239510  0.481725  0.720790  1
  Al  Al76  1  0.721820  0.858890  0.688391  1
  Al  Al77  1  0.208385  0.897826  0.681157  1
  Al  Al78  1  0.747173  0.532038  0.716725  1
  Al  Al79  1  0.016856  0.031924  0.721408  1
  Al  Al80  1  0.458431  0.369459  0.686094  1
  Al  Al81  1  0.982173  0.671326  0.704424  1
  Al  Al82  1  0.441793  0.036435  0.671259  1
  Al  Al83  1  0.018101  0.361186  0.731664  1
  Al  Al84  1  0.453513  0.684067  0.701504  1
  Ni  Ni85  1  0.545888  0.857140  0.288311  1
  Ni  Ni86  1  0.055323  0.453828  0.318909  1
  Ni  Ni87  1  0.412801  0.974469  0.277718  1
  Ni  Ni88  1  0.941528  0.577650  0.308489  1
  Ni  Ni89  1  0.450416  0.566362  0.307182  1
  Ni  Ni90  1  0.898808  0.929428  0.279524  1
  Ni  Ni91  1  0.452830  0.879697  0.326643  1
  Ni  Ni92  1  0.900314  0.208322  0.293034  1
  Ni  Ni93  1  0.705746  0.073434  0.310279  1
  Ni  Ni94  1  0.169495  0.465016  0.286365  1
  Ni  Ni95  1  0.807393  0.657844  0.301601  1
  Ni  Ni96  1  0.265839  0.025472  0.273603  1
  Ni  Ni97  1  0.666497  0.727909  0.295849  1
  Ni  Ni98  1  0.206263  0.362024  0.326388  1
  Ni  Ni99  1  0.712625  0.384996  0.325625  1
  Ni  Ni100  1  0.176238  0.741383  0.292104  1
  Ni  Ni101  1  0.656711  0.451194  0.282081  1
  Ni  Ni102  1  0.179726  0.055065  0.311310  1
  Ni  Ni103  1  0.429238  0.246300  0.291702  1
  Ni  Ni104  1  0.967540  0.875759  0.321403  1
  Ni  Ni105  1  0.612983  0.099752  0.349784  1
  Ni  Ni106  1  0.154411  0.730742  0.383298  1
  Ni  Ni107  1  0.471551  0.169044  0.342900  1
  Ni  Ni108  1  0.012770  0.806822  0.377130  1
  Ni  Ni109  1  0.504417  0.815610  0.375449  1
  Ni  Ni110  1  0.970650  0.181879  0.342605  1
  Ni  Ni111  1  0.508722  0.103043  0.389947  1
  Ni  Ni112  1  0.986372  0.505277  0.361894  1
  Ni  Ni113  1  0.769153  0.322255  0.374528  1
  Ni  Ni114  1  0.231244  0.664245  0.332845  1
  Ni  Ni115  1  0.878072  0.908676  0.368236  1
  Ni  Ni116  1  0.350371  0.287159  0.332103  1
  Ni  Ni117  1  0.746424  0.014487  0.359485  1
  Ni  Ni118  1  0.278344  0.617130  0.392592  1
  Ni  Ni119  1  0.775196  0.627569  0.392678  1
  Ni  Ni120  1  0.239258  0.016709  0.357977  1
  Ni  Ni121  1  0.711611  0.667404  0.342416  1
  Ni  Ni122  1  0.249899  0.307078  0.374645  1
  Ni  Ni123  1  0.501537  0.515371  0.360491  1
  Ni  Ni124  1  0.035502  0.137572  0.393180  1
  Ni  Ni125  1  0.675657  0.347902  0.418373  1
  Ni  Ni126  1  0.208134  0.972799  0.451814  1
  Ni  Ni127  1  0.546350  0.452975  0.408606  1
  Ni  Ni128  1  0.079747  0.074373  0.442785  1
  Ni  Ni129  1  0.581766  0.063879  0.443920  1
  Ni  Ni130  1  0.047271  0.448781  0.409089  1
  Ni  Ni131  1  0.591243  0.382452  0.461495  1
  Ni  Ni132  1  0.054654  0.745788  0.425361  1
  Ni  Ni133  1  0.838939  0.580389  0.444123  1
  Ni  Ni134  1  0.308282  0.958177  0.410093  1
  Ni  Ni135  1  0.945637  0.164365  0.435049  1
  Ni  Ni136  1  0.409796  0.533380  0.400926  1
  Ni  Ni137  1  0.810139  0.253118  0.426753  1
  Ni  Ni138  1  0.349409  0.895867  0.458786  1
  Ni  Ni139  1  0.850033  0.881957  0.460666  1
  Ni  Ni140  1  0.315742  0.252826  0.426731  1
  Ni  Ni141  1  0.788384  0.940498  0.410219  1
  Ni  Ni142  1  0.322527  0.560843  0.443105  1
  Ni  Ni143  1  0.571928  0.765166  0.425579  1
  Ni  Ni144  1  0.109985  0.395625  0.459510  1
  Ni  Ni145  1  0.746903  0.605426  0.485731  1
  Ni  Ni146  1  0.288135  0.237583  0.518398  1
  Ni  Ni147  1  0.613916  0.698506  0.476967  1
  Ni  Ni148  1  0.151669  0.329603  0.510188  1
  Ni  Ni149  1  0.649919  0.329335  0.510610  1
  Ni  Ni150  1  0.117796  0.693143  0.477177  1
  Ni  Ni151  1  0.655817  0.634324  0.529339  1
  Ni  Ni152  1  0.124748  0.010341  0.495477  1
  Ni  Ni153  1  0.909827  0.832081  0.508658  1
  Ni  Ni154  1  0.376272  0.204212  0.474229  1
  Ni  Ni155  1  0.014407  0.418457  0.502222  1
  Ni  Ni156  1  0.477499  0.789122  0.468634  1
  Ni  Ni157  1  0.882429  0.515678  0.493543  1
  Ni  Ni158  1  0.417881  0.135164  0.527841  1
  Ni  Ni159  1  0.915883  0.143537  0.527353  1
  Ni  Ni160  1  0.384643  0.511968  0.493502  1
  Ni  Ni161  1  0.855735  0.192136  0.478116  1
  Ni  Ni162  1  0.392425  0.826012  0.512614  1
  Ni  Ni163  1  0.641912  0.018829  0.492627  1
  Ni  Ni164  1  0.175765  0.643252  0.524736  1
  Ni  Ni165  1  0.821891  0.864395  0.552531  1
  Ni  Ni166  1  0.361849  0.497049  0.585732  1
  Ni  Ni167  1  0.685025  0.951884  0.544927  1
  Ni  Ni168  1  0.223278  0.576948  0.578157  1
  Ni  Ni169  1  0.715352  0.584415  0.577910  1
  Ni  Ni170  1  0.184464  0.964152  0.543021  1
  Ni  Ni171  1  0.726932  0.887418  0.594556  1
  Ni  Ni172  1  0.195124  0.263340  0.561028  1
  Ni  Ni173  1  0.975586  0.087457  0.577757  1
  Ni  Ni174  1  0.444296  0.462670  0.543117  1
  Ni  Ni175  1  0.093947  0.682062  0.568607  1
  Ni  Ni176  1  0.556550  0.052780  0.535407  1
  Ni  Ni177  1  0.954225  0.766683  0.561435  1
  Ni  Ni178  1  0.490534  0.401698  0.595076  1
  Ni  Ni179  1  0.986591  0.399132  0.594306  1
  Ni  Ni180  1  0.450618  0.778578  0.559860  1
  Ni  Ni181  1  0.925975  0.449658  0.545398  1
  Ni  Ni182  1  0.458883  0.070047  0.576744  1
  Ni  Ni183  1  0.709669  0.276393  0.560637  1
  Ni  Ni184  1  0.252091  0.914301  0.595532  1
  Ni  Ni185  1  0.882978  0.113693  0.620313  1
  Ni  Ni186  1  0.411634  0.735149  0.655235  1
  Ni  Ni187  1  0.753130  0.217436  0.611584  1
  Ni  Ni188  1  0.292329  0.850037  0.642507  1
  Ni  Ni189  1  0.798068  0.832260  0.646198  1
  Ni  Ni190  1  0.260257  0.214252  0.611327  1
  Ni  Ni191  1  0.802295  0.164797  0.669525  1
  Ni  Ni192  1  0.264711  0.511890  0.626471  1
  Ni  Ni193  1  0.055395  0.355852  0.644420  1
  Ni  Ni194  1  0.522794  0.733985  0.614576  1
  Ni  Ni195  1  0.150765  0.928698  0.635571  1
  Ni  Ni196  1  0.618201  0.302197  0.604116  1
  Ni  Ni197  1  0.017973  0.021647  0.627316  1
  Ni  Ni198  1  0.560720  0.662128  0.663787  1
  Ni  Ni199  1  0.062828  0.648667  0.661398  1
  Ni  Ni200  1  0.528279  0.016412  0.630027  1
  Ni  Ni201  1  0.996600  0.701113  0.610562  1
  Ni  Ni202  1  0.537777  0.338818  0.646778  1
  Ni  Ni203  1  0.779794  0.527479  0.628900  1
  Ni  Ni204  1  0.318202  0.164889  0.659865  1
  Ni  Ni205  1  0.968316  0.384149  0.685716  1
  Ni  Ni206  1  0.498867  0.997358  0.715000  1
  Ni  Ni207  1  0.825868  0.465869  0.678893  1
  Ni  Ni208  1  0.349805  0.089410  0.709646  1
  Ni  Ni209  1  0.868787  0.110722  0.710675  1
  Ni  Ni210  1  0.316253  0.438122  0.679112  1
  Ni  Ni211  1  0.864384  0.381734  0.720499  1
  Ni  Ni212  1  0.324770  0.791541  0.700174  1
  Ni  Ni213  1  0.132283  0.625144  0.707680  1
  Ni  Ni214  1  0.578906  0.950640  0.677534  1
  Ni  Ni215  1  0.214002  0.175253  0.702167  1
  Ni  Ni216  1  0.692664  0.561154  0.671099  1
  Ni  Ni217  1  0.096754  0.294953  0.692461  1
  Ni  Ni218  1  0.610153  0.866019  0.722550  1
  Ni  Ni219  1  0.141495  0.904937  0.723610  1
  Ni  Ni220  1  0.589155  0.289298  0.695556  1
  Ni  Ni221  1  0.063818  0.958267  0.679801  1
  Ni  Ni222  1  0.597538  0.589615  0.709520  1
  Ni  Ni223  1  0.868625  0.807888  0.694347  1
  Ni  Ni224  1  0.363508  0.371582  0.723208  1
