# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.85727241
_cell_length_b   8.89244704
_cell_length_c   47.86496447
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.97266210
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al72 Ni120'
_cell_volume   5057.16145862
_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  0.949959  0.363324  0.355360  1
  Al  Al2  1  0.410770  0.731534  0.318310  1
  Al  Al3  1  0.927547  0.037924  0.339795  1
  Al  Al4  1  0.381452  0.400407  0.302546  1
  Al  Al5  1  0.884822  0.428845  0.301320  1
  Al  Al6  1  0.425511  0.058293  0.337836  1
  Al  Al7  1  0.677767  0.547500  0.339101  1
  Al  Al8  1  0.128527  0.909355  0.300959  1
  Al  Al9  1  0.657573  0.221444  0.319747  1
  Al  Al10  1  0.109532  0.592876  0.286623  1
  Al  Al11  1  0.699288  0.873961  0.354528  1
  Al  Al12  1  0.153672  0.231701  0.319651  1
  Al  Al13  1  0.039904  0.634069  0.427420  1
  Al  Al14  1  0.492447  0.998524  0.391646  1
  Al  Al15  1  0.018537  0.310555  0.410081  1
  Al  Al16  1  0.473704  0.674975  0.373295  1
  Al  Al17  1  0.971015  0.689187  0.373073  1
  Al  Al18  1  0.517995  0.324629  0.408643  1
  Al  Al19  1  0.767262  0.818152  0.409786  1
  Al  Al20  1  0.220861  0.184193  0.374406  1
  Al  Al21  1  0.745950  0.492823  0.391909  1
  Al  Al22  1  0.201539  0.855817  0.356715  1
  Al  Al23  1  0.789777  0.141279  0.426797  1
  Al  Al24  1  0.244981  0.507614  0.390429  1
  Al  Al25  1  0.132574  0.904943  0.499054  1
  Al  Al26  1  0.586997  0.269799  0.463020  1
  Al  Al27  1  0.110390  0.580916  0.481662  1
  Al  Al28  1  0.564474  0.945867  0.445645  1
  Al  Al29  1  0.063079  0.959358  0.444841  1
  Al  Al30  1  0.609178  0.594559  0.480649  1
  Al  Al31  1  0.860176  0.088552  0.481357  1
  Al  Al32  1  0.314382  0.453455  0.445432  1
  Al  Al33  1  0.837570  0.763946  0.463923  1
  Al  Al34  1  0.291718  0.129821  0.428116  1
  Al  Al35  1  0.881779  0.411822  0.498551  1
  Al  Al36  1  0.336002  0.776323  0.462600  1
  Al  Al37  1  0.223632  0.173892  0.570838  1
  Al  Al38  1  0.678656  0.540421  0.534770  1
  Al  Al39  1  0.201559  0.850330  0.553729  1
  Al  Al40  1  0.656099  0.216059  0.517550  1
  Al  Al41  1  0.154533  0.229680  0.516777  1
  Al  Al42  1  0.701015  0.865706  0.552498  1
  Al  Al43  1  0.951342  0.358621  0.553302  1
  Al  Al44  1  0.405646  0.722998  0.517139  1
  Al  Al45  1  0.929035  0.034473  0.535885  1
  Al  Al46  1  0.383370  0.398828  0.499827  1
  Al  Al47  1  0.973073  0.680967  0.570246  1
  Al  Al48  1  0.427527  0.046774  0.534306  1
  Al  Al49  1  0.312009  0.443934  0.642254  1
  Al  Al50  1  0.771009  0.811455  0.606714  1
  Al  Al51  1  0.293616  0.120649  0.625071  1
  Al  Al52  1  0.747620  0.486258  0.589378  1
  Al  Al53  1  0.245819  0.500318  0.588492  1
  Al  Al54  1  0.791894  0.136635  0.625344  1
  Al  Al55  1  0.039998  0.626295  0.625883  1
  Al  Al56  1  0.497970  0.993784  0.588731  1
  Al  Al57  1  0.020322  0.304166  0.608067  1
  Al  Al58  1  0.475717  0.669538  0.571506  1
  Al  Al59  1  0.063156  0.952407  0.642205  1
  Al  Al60  1  0.519356  0.318080  0.606125  1
  Al  Al61  1  0.425187  0.719871  0.713129  1
  Al  Al62  1  0.854671  0.076718  0.679981  1
  Al  Al63  1  0.382504  0.384593  0.696878  1
  Al  Al64  1  0.838477  0.755428  0.659369  1
  Al  Al65  1  0.339763  0.773040  0.659086  1
  Al  Al66  1  0.882548  0.403603  0.695861  1
  Al  Al67  1  0.146777  0.910303  0.697512  1
  Al  Al68  1  0.588796  0.265520  0.659307  1
  Al  Al69  1  0.112406  0.580852  0.679368  1
  Al  Al70  1  0.566234  0.939629  0.643527  1
  Al  Al71  1  0.158581  0.221314  0.711742  1
  Al  Al72  1  0.607849  0.586690  0.678480  1
  Ni  Ni73  1  0.625561  0.917750  0.303926  1
  Ni  Ni74  1  0.173580  0.543822  0.338383  1
  Ni  Ni75  1  0.485790  0.012061  0.293517  1
  Ni  Ni76  1  0.042190  0.640538  0.330199  1
  Ni  Ni77  1  0.543786  0.634612  0.328174  1
  Ni  Ni78  1  0.986395  0.004311  0.294549  1
  Ni  Ni79  1  0.558478  0.956342  0.347914  1
  Ni  Ni80  1  0.012951  0.310842  0.310845  1
  Ni  Ni81  1  0.799417  0.142466  0.327115  1
  Ni  Ni82  1  0.244204  0.504516  0.295004  1
  Ni  Ni83  1  0.907745  0.730118  0.321035  1
  Ni  Ni84  1  0.343075  0.099741  0.287568  1
  Ni  Ni85  1  0.768060  0.820504  0.310588  1
  Ni  Ni86  1  0.313513  0.456128  0.346252  1
  Ni  Ni87  1  0.813997  0.455148  0.346669  1
  Ni  Ni88  1  0.270705  0.818938  0.311834  1
  Ni  Ni89  1  0.740855  0.512198  0.294972  1
  Ni  Ni90  1  0.283537  0.133631  0.331588  1
  Ni  Ni91  1  0.526389  0.326298  0.310267  1
  Ni  Ni92  1  0.068659  0.957634  0.346685  1
  Ni  Ni93  1  0.724726  0.182356  0.372699  1
  Ni  Ni94  1  0.269330  0.817322  0.408772  1
  Ni  Ni95  1  0.587523  0.271009  0.364456  1
  Ni  Ni96  1  0.131864  0.907989  0.400690  1
  Ni  Ni97  1  0.631073  0.909429  0.399914  1
  Ni  Ni98  1  0.085929  0.273462  0.364742  1
  Ni  Ni99  1  0.651468  0.222940  0.418132  1
  Ni  Ni100  1  0.104280  0.587021  0.382987  1
  Ni  Ni101  1  0.884312  0.409873  0.399947  1
  Ni  Ni102  1  0.341105  0.774372  0.363105  1
  Ni  Ni103  1  0.996246  1.000906  0.391583  1
  Ni  Ni104  1  0.451753  0.366058  0.355448  1
  Ni  Ni105  1  0.858479  0.090429  0.382892  1
  Ni  Ni106  1  0.404743  0.724916  0.418133  1
  Ni  Ni107  1  0.904025  0.726726  0.418423  1
  Ni  Ni108  1  0.358012  0.093892  0.382705  1
  Ni  Ni109  1  0.832648  0.771213  0.365691  1
  Ni  Ni110  1  0.380041  0.408491  0.400644  1
  Ni  Ni111  1  0.612147  0.595873  0.382593  1
  Ni  Ni112  1  0.157269  0.230399  0.418637  1
  Ni  Ni113  1  0.813566  0.451884  0.445032  1
  Ni  Ni114  1  0.358985  0.087109  0.481176  1
  Ni  Ni115  1  0.677585  0.543828  0.436327  1
  Ni  Ni116  1  0.222895  0.179640  0.472390  1
  Ni  Ni117  1  0.723207  0.178654  0.472170  1
  Ni  Ni118  1  0.177720  0.544336  0.436070  1
  Ni  Ni119  1  0.743277  0.493772  0.490189  1
  Ni  Ni120  1  0.197516  0.858598  0.454201  1
  Ni  Ni121  1  0.975726  0.680767  0.471984  1
  Ni  Ni122  1  0.429608  0.046127  0.436153  1
  Ni  Ni123  1  0.086526  0.271253  0.463517  1
  Ni  Ni124  1  0.541884  0.636707  0.427501  1
  Ni  Ni125  1  0.949796  0.361051  0.454307  1
  Ni  Ni126  1  0.496036  0.996357  0.490011  1
  Ni  Ni127  1  0.996236  0.996844  0.490357  1
  Ni  Ni128  1  0.450838  0.361869  0.454304  1
  Ni  Ni129  1  0.924629  0.041962  0.436696  1
  Ni  Ni130  1  0.470814  0.677378  0.472543  1
  Ni  Ni131  1  0.703334  0.864650  0.454392  1
  Ni  Ni132  1  0.248983  0.498988  0.490171  1
  Ni  Ni133  1  0.905206  0.722405  0.517020  1
  Ni  Ni134  1  0.451192  0.357862  0.552814  1
  Ni  Ni135  1  0.769293  0.814928  0.508194  1
  Ni  Ni136  1  0.314814  0.449434  0.544212  1
  Ni  Ni137  1  0.814628  0.448885  0.543886  1
  Ni  Ni138  1  0.268619  0.813093  0.508181  1
  Ni  Ni139  1  0.834762  0.764039  0.562091  1
  Ni  Ni140  1  0.288654  0.128582  0.526275  1
  Ni  Ni141  1  0.067045  0.950621  0.543800  1
  Ni  Ni142  1  0.521880  0.316003  0.507699  1
  Ni  Ni143  1  0.177995  0.540264  0.535489  1
  Ni  Ni144  1  0.632747  0.905968  0.499284  1
  Ni  Ni145  1  0.041905  0.631313  0.525997  1
  Ni  Ni146  1  0.587627  0.267133  0.561780  1
  Ni  Ni147  1  0.087251  0.266392  0.562415  1
  Ni  Ni148  1  0.542380  0.632200  0.526098  1
  Ni  Ni149  1  0.016242  0.312657  0.508628  1
  Ni  Ni150  1  0.562134  0.947190  0.544182  1
  Ni  Ni151  1  0.795145  0.134829  0.525934  1
  Ni  Ni152  1  0.341088  0.769371  0.561785  1
  Ni  Ni153  1  0.995379  0.992201  0.589160  1
  Ni  Ni154  1  0.543377  0.627325  0.623833  1
  Ni  Ni155  1  0.860177  0.085932  0.580395  1
  Ni  Ni156  1  0.407375  0.719971  0.615565  1
  Ni  Ni157  1  0.906360  0.717587  0.615329  1
  Ni  Ni158  1  0.361095  0.084334  0.579748  1
  Ni  Ni159  1  0.924739  0.036936  0.634802  1
  Ni  Ni160  1  0.379705  0.398825  0.597827  1
  Ni  Ni161  1  0.158449  0.219566  0.615155  1
  Ni  Ni162  1  0.614383  0.586829  0.579293  1
  Ni  Ni163  1  0.270233  0.811057  0.606835  1
  Ni  Ni164  1  0.724186  0.176317  0.570849  1
  Ni  Ni165  1  0.131882  0.899558  0.598099  1
  Ni  Ni166  1  0.678663  0.537621  0.633519  1
  Ni  Ni167  1  0.178040  0.539069  0.634073  1
  Ni  Ni168  1  0.634901  0.904172  0.598076  1
  Ni  Ni169  1  0.106750  0.582063  0.580862  1
  Ni  Ni170  1  0.654488  0.217854  0.615759  1
  Ni  Ni171  1  0.885622  0.403583  0.598039  1
  Ni  Ni172  1  0.432626  0.040528  0.632917  1
  Ni  Ni173  1  0.091184  0.262528  0.660127  1
  Ni  Ni174  1  0.631924  0.882458  0.695060  1
  Ni  Ni175  1  0.953009  0.352183  0.652547  1
  Ni  Ni176  1  0.500026  0.997442  0.687544  1
  Ni  Ni177  1  0.994034  0.984016  0.687586  1
  Ni  Ni178  1  0.451053  0.356580  0.651206  1
  Ni  Ni179  1  0.021991  0.304602  0.703307  1
  Ni  Ni180  1  0.468919  0.662583  0.667547  1
  Ni  Ni181  1  0.253210  0.499615  0.687056  1
  Ni  Ni182  1  0.703926  0.853670  0.650674  1
  Ni  Ni183  1  0.358663  0.081484  0.677473  1
  Ni  Ni184  1  0.817087  0.446499  0.643411  1
  Ni  Ni185  1  0.224956  0.172345  0.667988  1
  Ni  Ni186  1  0.778700  0.796248  0.704303  1
  Ni  Ni187  1  0.282620  0.806833  0.704504  1
  Ni  Ni188  1  0.720088  0.171896  0.670591  1
  Ni  Ni189  1  0.198115  0.852908  0.651699  1
  Ni  Ni190  1  0.743606  0.489346  0.687595  1
  Ni  Ni191  1  0.978577  0.682152  0.670739  1
  Ni  Ni192  1  0.525826  0.299691  0.703752  1
