# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.86599067
_cell_length_b   12.30511806
_cell_length_c   48.12314125
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al48 Ni144'
_cell_volume   4418.90265739
_cell_formula_units_Z   48
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  0.673477  0.860964  0.287203  1
  Al  Al2  1  0.882066  0.282005  0.328900  1
  Al  Al3  1  0.778549  0.561151  0.309289  1
  Al  Al4  1  0.557083  0.114231  0.271920  1
  Al  Al5  1  0.267917  0.561510  0.309345  1
  Al  Al6  1  0.045016  0.114227  0.271902  1
  Al  Al7  1  0.163244  0.840010  0.289349  1
  Al  Al8  1  0.386516  0.289938  0.326754  1
  Al  Al9  1  0.103213  0.728280  0.367036  1
  Al  Al10  1  0.323266  0.171762  0.403799  1
  Al  Al11  1  0.211914  0.447518  0.386474  1
  Al  Al12  1  0.993817  0.005654  0.348448  1
  Al  Al13  1  0.712979  0.447691  0.386463  1
  Al  Al14  1  0.493008  0.005448  0.348495  1
  Al  Al15  1  0.603165  0.727012  0.364388  1
  Al  Al16  1  0.822267  0.169883  0.404953  1
  Al  Al17  1  0.542530  0.614354  0.442674  1
  Al  Al18  1  0.761789  0.056980  0.482136  1
  Al  Al19  1  0.651802  0.333937  0.463405  1
  Al  Al20  1  0.432770  0.890840  0.424956  1
  Al  Al21  1  0.151427  0.333946  0.463445  1
  Al  Al22  1  0.931416  0.891023  0.425038  1
  Al  Al23  1  0.042211  0.613604  0.443588  1
  Al  Al24  1  0.262299  0.057624  0.481520  1
  Al  Al25  1  0.981208  0.499823  0.520510  1
  Al  Al26  1  0.201340  0.944122  0.558600  1
  Al  Al27  1  0.090975  0.220509  0.540754  1
  Al  Al28  1  0.871342  0.777151  0.501932  1
  Al  Al29  1  0.590853  0.220538  0.540785  1
  Al  Al30  1  0.371090  0.777292  0.501975  1
  Al  Al31  1  0.481593  0.500063  0.519559  1
  Al  Al32  1  0.701045  0.943246  0.558986  1
  Al  Al33  1  0.420998  0.387497  0.596635  1
  Al  Al34  1  0.640426  0.830917  0.636919  1
  Al  Al35  1  0.529908  0.106200  0.618006  1
  Al  Al36  1  0.310786  0.662645  0.578921  1
  Al  Al37  1  0.029615  0.106466  0.617990  1
  Al  Al38  1  0.809309  0.662944  0.579017  1
  Al  Al39  1  0.920317  0.385970  0.597433  1
  Al  Al40  1  0.139942  0.828542  0.634665  1
  Al  Al41  1  0.858799  0.271506  0.674272  1
  Al  Al42  1  0.080024  0.717688  0.711834  1
  Al  Al43  1  0.976062  0.992163  0.694419  1
  Al  Al44  1  0.749113  0.547118  0.657204  1
  Al  Al45  1  0.461468  0.992656  0.694607  1
  Al  Al46  1  0.247167  0.547292  0.657296  1
  Al  Al47  1  0.361668  0.276581  0.672988  1
  Al  Al48  1  0.573028  0.702877  0.710193  1
  Ni  Ni49  1  0.850730  0.733581  0.280482  1
  Ni  Ni50  1  0.081350  0.174164  0.319122  1
  Ni  Ni51  1  0.992548  0.504461  0.347992  1
  Ni  Ni52  1  0.775162  0.064985  0.307040  1
  Ni  Ni53  1  0.969967  0.948249  0.301032  1
  Ni  Ni54  1  0.187125  0.394162  0.338323  1
  Ni  Ni55  1  0.189283  0.895757  0.337307  1
  Ni  Ni56  1  0.966736  0.447676  0.300208  1
  Ni  Ni57  1  0.880382  0.781748  0.329281  1
  Ni  Ni58  1  0.662339  0.344285  0.289535  1
  Ni  Ni59  1  0.079026  0.674626  0.319724  1
  Ni  Ni60  1  0.863342  0.239327  0.279776  1
  Ni  Ni61  1  0.689999  0.897625  0.336927  1
  Ni  Ni62  1  0.473557  0.461228  0.295861  1
  Ni  Ni63  1  0.384402  0.781314  0.329149  1
  Ni  Ni64  1  0.168686  0.344644  0.289434  1
  Ni  Ni65  1  0.580786  0.676144  0.314032  1
  Ni  Ni66  1  0.360942  0.234697  0.278416  1
  Ni  Ni67  1  0.369831  0.733505  0.280313  1
  Ni  Ni68  1  0.576118  0.173750  0.319155  1
  Ni  Ni69  1  0.053836  0.620163  0.272229  1
  Ni  Ni70  1  0.273469  0.062140  0.305961  1
  Ni  Ni71  1  0.463725  0.948324  0.301053  1
  Ni  Ni72  1  0.688558  0.394264  0.338344  1
  Ni  Ni73  1  0.295532  0.614633  0.357663  1
  Ni  Ni74  1  0.517114  0.058888  0.396330  1
  Ni  Ni75  1  0.433194  0.393446  0.423120  1
  Ni  Ni76  1  0.213728  0.950427  0.385088  1
  Ni  Ni77  1  0.408280  0.836619  0.376918  1
  Ni  Ni78  1  0.626771  0.279906  0.415254  1
  Ni  Ni79  1  0.627926  0.781073  0.413601  1
  Ni  Ni80  1  0.409872  0.341003  0.374869  1
  Ni  Ni81  1  0.321619  0.669093  0.405803  1
  Ni  Ni82  1  0.102875  0.226009  0.367187  1
  Ni  Ni83  1  0.518862  0.561167  0.394017  1
  Ni  Ni84  1  0.299564  0.118327  0.355150  1
  Ni  Ni85  1  0.128250  0.782353  0.414684  1
  Ni  Ni86  1  0.907712  0.337212  0.376643  1
  Ni  Ni87  1  0.822768  0.669059  0.405731  1
  Ni  Ni88  1  0.602516  0.226011  0.367173  1
  Ni  Ni89  1  0.017882  0.559326  0.395750  1
  Ni  Ni90  1  0.797993  0.115578  0.356447  1
  Ni  Ni91  1  0.798464  0.614586  0.357568  1
  Ni  Ni92  1  0.017138  0.058783  0.396322  1
  Ni  Ni93  1  0.495233  0.509785  0.345055  1
  Ni  Ni94  1  0.713096  0.949887  0.385440  1
  Ni  Ni95  1  0.906016  0.837017  0.377002  1
  Ni  Ni96  1  0.126678  0.279868  0.415296  1
  Ni  Ni97  1  0.736728  0.501687  0.434553  1
  Ni  Ni98  1  0.955865  0.945018  0.473175  1
  Ni  Ni99  1  0.871452  0.278073  0.501321  1
  Ni  Ni100  1  0.652094  0.835244  0.462179  1
  Ni  Ni101  1  0.846576  0.723216  0.453792  1
  Ni  Ni102  1  0.066147  0.166575  0.492470  1
  Ni  Ni103  1  0.067032  0.667517  0.491443  1
  Ni  Ni104  1  0.847195  0.223960  0.453228  1
  Ni  Ni105  1  0.761139  0.555461  0.482733  1
  Ni  Ni106  1  0.541929  0.112655  0.444397  1
  Ni  Ni107  1  0.957001  0.445782  0.472526  1
  Ni  Ni108  1  0.737696  1.003196  0.433843  1
  Ni  Ni109  1  0.567234  0.668210  0.491115  1
  Ni  Ni110  1  0.347939  0.225390  0.452282  1
  Ni  Ni111  1  0.261531  0.555325  0.482696  1
  Ni  Ni112  1  0.041963  0.112538  0.444390  1
  Ni  Ni113  1  0.457629  0.446535  0.471464  1
  Ni  Ni114  1  0.238251  0.003781  0.433339  1
  Ni  Ni115  1  0.236432  0.501529  0.434556  1
  Ni  Ni116  1  0.456682  0.944930  0.473116  1
  Ni  Ni117  1  0.932013  0.391530  0.424550  1
  Ni  Ni118  1  0.152319  0.836116  0.462585  1
  Ni  Ni119  1  0.346258  0.723312  0.453841  1
  Ni  Ni120  1  0.566088  0.166640  0.492482  1
  Ni  Ni121  1  0.175381  0.387791  0.511648  1
  Ni  Ni122  1  0.395105  0.831158  0.550185  1
  Ni  Ni123  1  0.311437  0.166129  0.577645  1
  Ni  Ni124  1  0.091211  0.721421  0.539237  1
  Ni  Ni125  1  0.285865  0.609119  0.530781  1
  Ni  Ni126  1  0.505255  0.052724  0.569620  1
  Ni  Ni127  1  0.506407  0.553724  0.567426  1
  Ni  Ni128  1  0.287202  0.111744  0.529642  1
  Ni  Ni129  1  0.199781  0.441373  0.560016  1
  Ni  Ni130  1  0.980864  0.999022  0.521410  1
  Ni  Ni131  1  0.396910  0.333292  0.548666  1
  Ni  Ni132  1  0.177100  0.889946  0.510628  1
  Ni  Ni133  1  0.006087  0.553995  0.568421  1
  Ni  Ni134  1  0.786614  0.110998  0.530371  1
  Ni  Ni135  1  0.700874  0.441158  0.559983  1
  Ni  Ni136  1  0.481359  0.998889  0.521377  1
  Ni  Ni137  1  0.896280  0.331917  0.549428  1
  Ni  Ni138  1  0.676934  0.889289  0.510649  1
  Ni  Ni139  1  0.676011  0.387714  0.511614  1
  Ni  Ni140  1  0.895541  0.831030  0.550115  1
  Ni  Ni141  1  0.372060  0.279359  0.500479  1
  Ni  Ni142  1  0.591506  0.722519  0.539405  1
  Ni  Ni143  1  0.784947  0.609245  0.530848  1
  Ni  Ni144  1  0.004996  0.052865  0.569628  1
  Ni  Ni145  1  0.614868  0.274306  0.589267  1
  Ni  Ni146  1  0.831683  0.715773  0.627335  1
  Ni  Ni147  1  0.748854  0.048958  0.655540  1
  Ni  Ni148  1  0.530190  0.607265  0.614899  1
  Ni  Ni149  1  0.725126  0.494887  0.608364  1
  Ni  Ni150  1  0.944818  0.937661  0.646519  1
  Ni  Ni151  1  0.945738  0.440799  0.645230  1
  Ni  Ni152  1  0.725462  0.996264  0.607343  1
  Ni  Ni153  1  0.640002  0.328705  0.638159  1
  Ni  Ni154  1  0.419178  0.884512  0.598507  1
  Ni  Ni155  1  0.835297  0.218510  0.626676  1
  Ni  Ni156  1  0.616469  0.776857  0.587901  1
  Ni  Ni157  1  0.446678  0.442895  0.644419  1
  Ni  Ni158  1  0.226221  0.998177  0.606552  1
  Ni  Ni159  1  0.139714  0.328649  0.638106  1
  Ni  Ni160  1  0.920601  0.884319  0.598381  1
  Ni  Ni161  1  0.336560  0.220453  0.625637  1
  Ni  Ni162  1  0.116174  0.775275  0.587045  1
  Ni  Ni163  1  0.114743  0.274327  0.589218  1
  Ni  Ni164  1  0.335212  0.715381  0.627218  1
  Ni  Ni165  1  0.810548  0.164741  0.578582  1
  Ni  Ni166  1  0.030390  0.608745  0.616188  1
  Ni  Ni167  1  0.223124  0.495064  0.608421  1
  Ni  Ni168  1  0.442410  0.937793  0.646690  1
  Ni  Ni169  1  0.053836  0.160595  0.666174  1
  Ni  Ni170  1  0.266784  0.598196  0.706568  1
  Ni  Ni171  1  0.188179  0.934540  0.729895  1
  Ni  Ni172  1  0.970433  0.496210  0.692990  1
  Ni  Ni173  1  0.160886  0.379410  0.687788  1
  Ni  Ni174  1  0.394439  0.821888  0.723320  1
  Ni  Ni175  1  0.383716  0.324126  0.721378  1
  Ni  Ni176  1  0.163964  0.880537  0.682036  1
  Ni  Ni177  1  0.071260  0.204103  0.715681  1
  Ni  Ni178  1  0.853540  0.768133  0.675476  1
  Ni  Ni179  1  0.277097  0.109764  0.702001  1
  Ni  Ni180  1  0.055382  0.662919  0.664018  1
  Ni  Ni181  1  0.885049  0.326684  0.722049  1
  Ni  Ni182  1  0.664847  0.884878  0.686736  1
  Ni  Ni183  1  0.576851  0.204212  0.715645  1
  Ni  Ni184  1  0.361189  0.767386  0.675331  1
  Ni  Ni185  1  0.771540  0.098054  0.703952  1
  Ni  Ni186  1  0.554153  0.658948  0.662572  1
  Ni  Ni187  1  0.553923  0.160449  0.666164  1
  Ni  Ni188  1  0.774887  0.598239  0.706433  1
  Ni  Ni189  1  0.250362  0.052363  0.654363  1
  Ni  Ni190  1  0.469755  0.495206  0.692728  1
  Ni  Ni191  1  0.663530  0.379598  0.687809  1
  Ni  Ni192  1  0.869415  0.822197  0.723521  1
