# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.97902119
_cell_length_b   13.12121365
_cell_length_c   55.09687051
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al72 Ni120'
_cell_volume   5045.39828791
_cell_formula_units_Z   24
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  0.503739  0.727556  0.279073  1
  Al  Al2  1  0.503739  0.179300  0.353982  1
  Al  Al3  1  0.503739  0.946165  0.315952  1
  Al  Al4  1  0.503739  0.604891  0.380029  1
  Al  Al5  1  0.503739  0.375593  0.343111  1
  Al  Al6  1  0.503739  0.140566  0.306368  1
  Al  Al7  1  0.503739  0.751578  0.328116  1
  Al  Al8  1  0.503739  0.516340  0.288819  1
  Al  Al9  1  0.503739  0.981979  0.364986  1
  Al  Al10  1  0.003739  0.563570  0.335005  1
  Al  Al11  1  0.003739  0.336576  0.295198  1
  Al  Al12  1  0.003739  0.793562  0.372925  1
  Al  Al13  1  0.003739  0.760010  0.326272  1
  Al  Al14  1  0.003739  0.537542  0.285338  1
  Al  Al15  1  0.003739  0.990475  0.362044  1
  Al  Al16  1  0.003739  0.596571  0.383312  1
  Al  Al17  1  0.003739  0.366942  0.345863  1
  Al  Al18  1  0.003739  0.134979  0.309385  1
  Al  Al19  1  0.503739  0.408706  0.390901  1
  Al  Al20  1  0.503739  0.868923  0.465327  1
  Al  Al21  1  0.503739  0.638551  0.428133  1
  Al  Al22  1  0.503739  0.295828  0.491439  1
  Al  Al23  1  0.503739  0.065802  0.454458  1
  Al  Al24  1  0.503739  0.835539  0.417438  1
  Al  Al25  1  0.503739  0.441952  0.438945  1
  Al  Al26  1  0.503739  0.212172  0.401937  1
  Al  Al27  1  0.503739  0.672054  0.476118  1
  Al  Al28  1  0.003739  0.253940  0.446692  1
  Al  Al29  1  0.003739  0.023912  0.409771  1
  Al  Al30  1  0.003739  0.483930  0.483724  1
  Al  Al31  1  0.003739  0.450634  0.435738  1
  Al  Al32  1  0.003739  0.220679  0.398742  1
  Al  Al33  1  0.003739  0.680733  0.472900  1
  Al  Al34  1  0.003739  0.287176  0.494637  1
  Al  Al35  1  0.003739  0.057134  0.457643  1
  Al  Al36  1  0.003739  0.826852  0.420594  1
  Al  Al37  1  0.503739  0.099059  0.502383  1
  Al  Al38  1  0.503739  0.559297  0.576360  1
  Al  Al39  1  0.503739  0.329057  0.539365  1
  Al  Al40  1  0.503739  0.986191  0.602875  1
  Al  Al41  1  0.503739  0.756296  0.565622  1
  Al  Al42  1  0.503739  0.525946  0.528468  1
  Al  Al43  1  0.503739  0.132298  0.550337  1
  Al  Al44  1  0.503739  0.902269  0.513267  1
  Al  Al45  1  0.503739  0.362330  0.587282  1
  Al  Al46  1  0.003739  0.944362  0.558060  1
  Al  Al47  1  0.003739  0.714137  0.520863  1
  Al  Al48  1  0.003739  0.174076  0.595093  1
  Al  Al49  1  0.003739  0.140966  0.547141  1
  Al  Al50  1  0.003739  0.910942  0.510053  1
  Al  Al51  1  0.003739  0.370950  0.584079  1
  Al  Al52  1  0.003739  0.977748  0.606232  1
  Al  Al53  1  0.003739  0.747547  0.568826  1
  Al  Al54  1  0.003739  0.517262  0.531666  1
  Al  Al55  1  0.503739  0.789860  0.613484  1
  Al  Al56  1  0.503739  0.252662  0.688233  1
  Al  Al57  1  0.503739  0.019273  0.651460  1
  Al  Al58  1  0.503739  0.670609  0.714627  1
  Al  Al59  1  0.503739  0.448087  0.677321  1
  Al  Al60  1  0.503739  0.215786  0.639943  1
  Al  Al61  1  0.503739  0.821953  0.660760  1
  Al  Al62  1  0.503739  0.592998  0.624242  1
  Al  Al63  1  0.503739  0.048556  0.702498  1
  Al  Al64  1  0.003739  0.635230  0.668261  1
  Al  Al65  1  0.003739  0.404195  0.631881  1
  Al  Al66  1  0.003739  0.867135  0.709094  1
  Al  Al67  1  0.003739  0.832155  0.658518  1
  Al  Al68  1  0.003739  0.601219  0.620943  1
  Al  Al69  1  0.003739  0.062826  0.696877  1
  Al  Al70  1  0.003739  0.658651  0.716945  1
  Al  Al71  1  0.003739  0.440190  0.679647  1
  Al  Al72  1  0.003739  0.206974  0.642723  1
  Ni  Ni73  1  0.003739  0.728919  0.283162  1
  Ni  Ni74  1  0.003739  0.178442  0.353966  1
  Ni  Ni75  1  0.003739  0.946441  0.317529  1
  Ni  Ni76  1  0.253301  0.485999  0.362865  1
  Ni  Ni77  1  0.251343  0.256549  0.326380  1
  Ni  Ni78  1  0.243592  0.021661  0.290922  1
  Ni  Ni79  1  0.257388  0.641266  0.307821  1
  Ni  Ni80  1  0.254030  0.101473  0.381934  1
  Ni  Ni81  1  0.255508  0.871374  0.345144  1
  Ni  Ni82  1  0.754036  0.834337  0.299651  1
  Ni  Ni83  1  0.748901  0.293961  0.372432  1
  Ni  Ni84  1  0.747370  0.063112  0.335875  1
  Ni  Ni85  1  0.253442  0.834337  0.299651  1
  Ni  Ni86  1  0.258576  0.293961  0.372432  1
  Ni  Ni87  1  0.260108  0.063112  0.335875  1
  Ni  Ni88  1  0.503739  0.562495  0.334916  1
  Ni  Ni89  1  0.503739  0.330770  0.299231  1
  Ni  Ni90  1  0.503739  0.793392  0.372775  1
  Ni  Ni91  1  0.750089  0.641266  0.307821  1
  Ni  Ni92  1  0.753448  0.101473  0.381934  1
  Ni  Ni93  1  0.751970  0.871374  0.345144  1
  Ni  Ni94  1  0.754177  0.485999  0.362865  1
  Ni  Ni95  1  0.756135  0.256549  0.326380  1
  Ni  Ni96  1  0.763886  0.021661  0.290922  1
  Ni  Ni97  1  0.248752  0.677935  0.353968  1
  Ni  Ni98  1  0.246740  0.448195  0.316471  1
  Ni  Ni99  1  0.249813  0.213693  0.282753  1
  Ni  Ni100  1  0.758726  0.677935  0.353968  1
  Ni  Ni101  1  0.760737  0.448195  0.316471  1
  Ni  Ni102  1  0.757665  0.213693  0.282753  1
  Ni  Ni103  1  0.003739  0.408757  0.390915  1
  Ni  Ni104  1  0.003739  0.868911  0.465307  1
  Ni  Ni105  1  0.003739  0.638665  0.428136  1
  Ni  Ni106  1  0.253729  0.176498  0.474542  1
  Ni  Ni107  1  0.253752  0.946382  0.437549  1
  Ni  Ni108  1  0.254052  0.715894  0.400411  1
  Ni  Ni109  1  0.253710  0.331352  0.418820  1
  Ni  Ni110  1  0.253727  0.791512  0.493092  1
  Ni  Ni111  1  0.253737  0.561296  0.455917  1
  Ni  Ni112  1  0.748030  0.523572  0.409485  1
  Ni  Ni113  1  0.748069  0.984018  0.483859  1
  Ni  Ni114  1  0.747898  0.753758  0.446743  1
  Ni  Ni115  1  0.259447  0.523572  0.409485  1
  Ni  Ni116  1  0.259408  0.984018  0.483859  1
  Ni  Ni117  1  0.259580  0.753758  0.446743  1
  Ni  Ni118  1  0.503739  0.253930  0.446694  1
  Ni  Ni119  1  0.503739  0.023918  0.409758  1
  Ni  Ni120  1  0.503739  0.483935  0.483729  1
  Ni  Ni121  1  0.753767  0.331352  0.418820  1
  Ni  Ni122  1  0.753751  0.791512  0.493092  1
  Ni  Ni123  1  0.753741  0.561296  0.455917  1
  Ni  Ni124  1  0.753748  0.176498  0.474542  1
  Ni  Ni125  1  0.753726  0.946382  0.437549  1
  Ni  Ni126  1  0.753425  0.715894  0.400411  1
  Ni  Ni127  1  0.248131  0.368924  0.465196  1
  Ni  Ni128  1  0.248237  0.138961  0.428219  1
  Ni  Ni129  1  0.248477  0.908845  0.391295  1
  Ni  Ni130  1  0.759346  0.368924  0.465196  1
  Ni  Ni131  1  0.759241  0.138961  0.428219  1
  Ni  Ni132  1  0.759001  0.908845  0.391295  1
  Ni  Ni133  1  0.003739  0.099062  0.502378  1
  Ni  Ni134  1  0.003739  0.559220  0.576358  1
  Ni  Ni135  1  0.003739  0.329079  0.539372  1
  Ni  Ni136  1  0.253431  0.867100  0.585864  1
  Ni  Ni137  1  0.253736  0.636749  0.548623  1
  Ni  Ni138  1  0.253739  0.406524  0.511545  1
  Ni  Ni139  1  0.253708  0.021654  0.530214  1
  Ni  Ni140  1  0.254043  0.481724  0.604117  1
  Ni  Ni141  1  0.253771  0.251599  0.567213  1
  Ni  Ni142  1  0.748173  0.214056  0.520880  1
  Ni  Ni143  1  0.747837  0.674509  0.594933  1
  Ni  Ni144  1  0.748062  0.444127  0.557856  1
  Ni  Ni145  1  0.259305  0.214056  0.520880  1
  Ni  Ni146  1  0.259641  0.674509  0.594933  1
  Ni  Ni147  1  0.259416  0.444127  0.557856  1
  Ni  Ni148  1  0.503739  0.944285  0.558032  1
  Ni  Ni149  1  0.503739  0.714144  0.520872  1
  Ni  Ni150  1  0.503739  0.174132  0.595114  1
  Ni  Ni151  1  0.753770  0.021654  0.530214  1
  Ni  Ni152  1  0.753435  0.481724  0.604117  1
  Ni  Ni153  1  0.753707  0.251599  0.567213  1
  Ni  Ni154  1  0.754047  0.867100  0.585864  1
  Ni  Ni155  1  0.753742  0.636749  0.548623  1
  Ni  Ni156  1  0.753739  0.406524  0.511545  1
  Ni  Ni157  1  0.248183  0.059239  0.576614  1
  Ni  Ni158  1  0.247898  0.829265  0.539458  1
  Ni  Ni159  1  0.247972  0.599017  0.502287  1
  Ni  Ni160  1  0.759295  0.059239  0.576614  1
  Ni  Ni161  1  0.759579  0.829265  0.539458  1
  Ni  Ni162  1  0.759506  0.599017  0.502287  1
  Ni  Ni163  1  0.003739  0.789635  0.613601  1
  Ni  Ni164  1  0.003739  0.252493  0.686332  1
  Ni  Ni165  1  0.003739  0.020295  0.651371  1
  Ni  Ni166  1  0.255134  0.558087  0.695367  1
  Ni  Ni167  1  0.255213  0.327147  0.659486  1
  Ni  Ni168  1  0.254445  0.096501  0.623100  1
  Ni  Ni169  1  0.253522  0.712234  0.641293  1
  Ni  Ni170  1  0.244002  0.183715  0.712743  1
  Ni  Ni171  1  0.253631  0.941928  0.678911  1
  Ni  Ni172  1  0.748215  0.905045  0.632462  1
  Ni  Ni173  1  0.751917  0.368136  0.704539  1
  Ni  Ni174  1  0.746134  0.134033  0.669365  1
  Ni  Ni175  1  0.259262  0.905045  0.632462  1
  Ni  Ni176  1  0.255561  0.368136  0.704539  1
  Ni  Ni177  1  0.261344  0.134033  0.669365  1
  Ni  Ni178  1  0.503739  0.635969  0.668998  1
  Ni  Ni179  1  0.503739  0.404641  0.632087  1
  Ni  Ni180  1  0.503739  0.855183  0.703978  1
  Ni  Ni181  1  0.753956  0.712234  0.641293  1
  Ni  Ni182  1  0.763475  0.183715  0.712743  1
  Ni  Ni183  1  0.753847  0.941928  0.678911  1
  Ni  Ni184  1  0.752344  0.558087  0.695367  1
  Ni  Ni185  1  0.752265  0.327147  0.659486  1
  Ni  Ni186  1  0.753033  0.096501  0.623100  1
  Ni  Ni187  1  0.243456  0.749431  0.687423  1
  Ni  Ni188  1  0.249257  0.519415  0.650234  1
  Ni  Ni189  1  0.248729  0.289089  0.613504  1
  Ni  Ni190  1  0.764022  0.749431  0.687423  1
  Ni  Ni191  1  0.758221  0.519415  0.650234  1
  Ni  Ni192  1  0.758749  0.289089  0.613504  1
