# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.97464167
_cell_length_b   12.69086094
_cell_length_c   47.53046098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al54 Ni162'
_cell_volume   5534.58524939
_cell_formula_units_Z   54
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  0.385165  0.230209  0.317437  1
  Al  Al2  1  0.886978  0.226950  0.316801  1
  Al  Al3  1  0.452206  0.597612  0.302083  1
  Al  Al4  1  0.315188  0.866295  0.333664  1
  Al  Al5  1  0.952048  0.596235  0.301977  1
  Al  Al6  1  0.019695  0.963721  0.287224  1
  Al  Al7  1  0.181909  0.139267  0.364018  1
  Al  Al8  1  0.679729  0.140230  0.364306  1
  Al  Al9  1  0.249078  0.502941  0.348255  1
  Al  Al10  1  0.112856  0.775494  0.380347  1
  Al  Al11  1  0.748797  0.503308  0.348172  1
  Al  Al12  1  0.819091  0.866345  0.333433  1
  Al  Al13  1  0.976412  0.048526  0.412204  1
  Al  Al14  1  0.476487  0.048192  0.411802  1
  Al  Al15  1  0.044706  0.411496  0.395800  1
  Al  Al16  1  0.908666  0.684129  0.427809  1
  Al  Al17  1  0.545233  0.411181  0.395747  1
  Al  Al18  1  0.612614  0.775928  0.380402  1
  Al  Al19  1  0.772420  0.956873  0.459598  1
  Al  Al20  1  0.272350  0.956946  0.459600  1
  Al  Al21  1  0.840602  0.320440  0.443511  1
  Al  Al22  1  0.704383  0.592948  0.475369  1
  Al  Al23  1  0.340479  0.320512  0.443564  1
  Al  Al24  1  0.408708  0.684163  0.427839  1
  Al  Al25  1  0.568147  0.865473  0.507164  1
  Al  Al26  1  0.068301  0.865399  0.507233  1
  Al  Al27  1  0.636165  0.229300  0.491223  1
  Al  Al28  1  0.500113  0.501822  0.523040  1
  Al  Al29  1  0.136355  0.229235  0.491259  1
  Al  Al30  1  0.204419  0.592871  0.475399  1
  Al  Al31  1  0.363932  0.774208  0.554875  1
  Al  Al32  1  0.863993  0.774248  0.554929  1
  Al  Al33  1  0.432159  0.137801  0.538814  1
  Al  Al34  1  0.295814  0.410569  0.570644  1
  Al  Al35  1  0.932151  0.137787  0.538867  1
  Al  Al36  1  0.000048  0.501767  0.523071  1
  Al  Al37  1  0.159410  0.683187  0.602652  1
  Al  Al38  1  0.659600  0.683544  0.602679  1
  Al  Al39  1  0.227806  0.046513  0.586631  1
  Al  Al40  1  0.091840  0.318777  0.618035  1
  Al  Al41  1  0.728055  0.046177  0.586242  1
  Al  Al42  1  0.795891  0.410546  0.570587  1
  Al  Al43  1  0.955589  0.591389  0.650270  1
  Al  Al44  1  0.455510  0.591770  0.650182  1
  Al  Al45  1  0.024561  0.955424  0.634430  1
  Al  Al46  1  0.885038  0.228423  0.664781  1
  Al  Al47  1  0.523344  0.954488  0.634125  1
  Al  Al48  1  0.591646  0.319209  0.618095  1
  Al  Al49  1  0.753556  0.497139  0.696345  1
  Al  Al50  1  0.252045  0.498431  0.696473  1
  Al  Al51  1  0.817615  0.867749  0.681639  1
  Al  Al52  1  0.687071  0.131023  0.711218  1
  Al  Al53  1  0.319060  0.864495  0.681001  1
  Al  Al54  1  0.389014  0.228341  0.665004  1
  Ni  Ni55  1  0.136694  0.228781  0.315446  1
  Ni  Ni56  1  0.635828  0.228371  0.315091  1
  Ni  Ni57  1  0.203205  0.595707  0.299933  1
  Ni  Ni58  1  0.066982  0.866141  0.333249  1
  Ni  Ni59  1  0.701081  0.596865  0.299983  1
  Ni  Ni60  1  0.768087  0.962108  0.285597  1
  Ni  Ni61  1  0.353754  0.043870  0.322395  1
  Ni  Ni62  1  0.849265  0.049251  0.325463  1
  Ni  Ni63  1  0.419160  0.412609  0.307740  1
  Ni  Ni64  1  0.482500  0.785923  0.293374  1
  Ni  Ni65  1  0.918640  0.411814  0.307657  1
  Ni  Ni66  1  0.985641  0.778420  0.292454  1
  Ni  Ni67  1  0.104040  0.047912  0.324953  1
  Ni  Ni68  1  0.600193  0.047902  0.324285  1
  Ni  Ni69  1  0.169479  0.412477  0.307755  1
  Ni  Ni70  1  0.236607  0.780567  0.292841  1
  Ni  Ni71  1  0.670052  0.411898  0.307629  1
  Ni  Ni72  1  0.735440  0.780174  0.292862  1
  Ni  Ni73  1  0.931403  0.139412  0.364658  1
  Ni  Ni74  1  0.430080  0.138609  0.364083  1
  Ni  Ni75  1  0.998913  0.502286  0.348331  1
  Ni  Ni76  1  0.863002  0.775470  0.380403  1
  Ni  Ni77  1  0.499843  0.502310  0.348328  1
  Ni  Ni78  1  0.568237  0.866869  0.332951  1
  Ni  Ni79  1  0.146075  0.958022  0.372768  1
  Ni  Ni80  1  0.646969  0.958113  0.372306  1
  Ni  Ni81  1  0.214139  0.321509  0.356098  1
  Ni  Ni82  1  0.282424  0.684636  0.340782  1
  Ni  Ni83  1  0.715182  0.320431  0.355734  1
  Ni  Ni84  1  0.782201  0.685528  0.340684  1
  Ni  Ni85  1  0.896563  0.958105  0.372689  1
  Ni  Ni86  1  0.396322  0.958136  0.372071  1
  Ni  Ni87  1  0.965470  0.320544  0.355809  1
  Ni  Ni88  1  0.033584  0.684895  0.340595  1
  Ni  Ni89  1  0.465475  0.321185  0.356001  1
  Ni  Ni90  1  0.533382  0.685755  0.340796  1
  Ni  Ni91  1  0.726317  0.048472  0.412021  1
  Ni  Ni92  1  0.226696  0.048415  0.411935  1
  Ni  Ni93  1  0.794984  0.411371  0.395640  1
  Ni  Ni94  1  0.658562  0.684293  0.427801  1
  Ni  Ni95  1  0.294884  0.411555  0.395829  1
  Ni  Ni96  1  0.362705  0.775511  0.380485  1
  Ni  Ni97  1  0.942655  0.866288  0.420039  1
  Ni  Ni98  1  0.442396  0.866584  0.419902  1
  Ni  Ni99  1  0.011096  0.230066  0.403832  1
  Ni  Ni100  1  0.079010  0.593282  0.388029  1
  Ni  Ni101  1  0.510304  0.229905  0.403814  1
  Ni  Ni102  1  0.578987  0.593435  0.388074  1
  Ni  Ni103  1  0.692578  0.866445  0.419940  1
  Ni  Ni104  1  0.192498  0.866299  0.420086  1
  Ni  Ni105  1  0.760462  0.230146  0.403872  1
  Ni  Ni106  1  0.828714  0.593530  0.388048  1
  Ni  Ni107  1  0.260676  0.230000  0.403824  1
  Ni  Ni108  1  0.329161  0.593131  0.388093  1
  Ni  Ni109  1  0.522362  0.956894  0.459529  1
  Ni  Ni110  1  0.022402  0.956843  0.459685  1
  Ni  Ni111  1  0.590404  0.320473  0.443551  1
  Ni  Ni112  1  0.454490  0.592892  0.475377  1
  Ni  Ni113  1  0.090598  0.320520  0.443572  1
  Ni  Ni114  1  0.158720  0.684098  0.427791  1
  Ni  Ni115  1  0.738406  0.774897  0.467506  1
  Ni  Ni116  1  0.238430  0.774779  0.467549  1
  Ni  Ni117  1  0.806266  0.138878  0.451643  1
  Ni  Ni118  1  0.874588  0.502125  0.435589  1
  Ni  Ni119  1  0.306510  0.138753  0.451547  1
  Ni  Ni120  1  0.374776  0.502104  0.435623  1
  Ni  Ni121  1  0.488330  0.774968  0.467494  1
  Ni  Ni122  1  0.988505  0.774752  0.467537  1
  Ni  Ni123  1  0.556253  0.138763  0.451549  1
  Ni  Ni124  1  0.624794  0.502039  0.435569  1
  Ni  Ni125  1  0.056512  0.138845  0.451625  1
  Ni  Ni126  1  0.124635  0.502183  0.435627  1
  Ni  Ni127  1  0.318185  0.865450  0.507201  1
  Ni  Ni128  1  0.818303  0.865390  0.507186  1
  Ni  Ni129  1  0.386257  0.229282  0.491234  1
  Ni  Ni130  1  0.250025  0.501799  0.523070  1
  Ni  Ni131  1  0.886270  0.229285  0.491257  1
  Ni  Ni132  1  0.954345  0.592889  0.475398  1
  Ni  Ni133  1  0.534159  0.683636  0.515122  1
  Ni  Ni134  1  0.034147  0.683569  0.515169  1
  Ni  Ni135  1  0.602247  0.047314  0.499165  1
  Ni  Ni136  1  0.670370  0.411090  0.483261  1
  Ni  Ni137  1  0.102265  0.047388  0.499270  1
  Ni  Ni138  1  0.170301  0.411119  0.483315  1
  Ni  Ni139  1  0.284212  0.683534  0.515146  1
  Ni  Ni140  1  0.784138  0.683664  0.515156  1
  Ni  Ni141  1  0.352249  0.047356  0.499208  1
  Ni  Ni142  1  0.420297  0.411146  0.483301  1
  Ni  Ni143  1  0.852260  0.047351  0.499236  1
  Ni  Ni144  1  0.920335  0.411057  0.483287  1
  Ni  Ni145  1  0.114081  0.774145  0.554887  1
  Ni  Ni146  1  0.613809  0.774270  0.554868  1
  Ni  Ni147  1  0.182173  0.137813  0.538899  1
  Ni  Ni148  1  0.045876  0.410412  0.570638  1
  Ni  Ni149  1  0.682049  0.137858  0.538766  1
  Ni  Ni150  1  0.750131  0.501828  0.523034  1
  Ni  Ni151  1  0.329822  0.592506  0.562825  1
  Ni  Ni152  1  0.829790  0.592680  0.562856  1
  Ni  Ni153  1  0.397933  0.955956  0.546862  1
  Ni  Ni154  1  0.466039  0.319937  0.530913  1
  Ni  Ni155  1  0.898257  0.955843  0.546842  1
  Ni  Ni156  1  0.966138  0.319750  0.530935  1
  Ni  Ni157  1  0.079695  0.592559  0.562864  1
  Ni  Ni158  1  0.579860  0.592618  0.562803  1
  Ni  Ni159  1  0.148172  0.955953  0.546910  1
  Ni  Ni160  1  0.216128  0.319807  0.530937  1
  Ni  Ni161  1  0.648051  0.955825  0.546779  1
  Ni  Ni162  1  0.716005  0.319926  0.530885  1
  Ni  Ni163  1  0.909534  0.683327  0.602801  1
  Ni  Ni164  1  0.409645  0.683154  0.602609  1
  Ni  Ni165  1  0.978227  0.046287  0.586521  1
  Ni  Ni166  1  0.841514  0.319199  0.617953  1
  Ni  Ni167  1  0.477910  0.046233  0.586403  1
  Ni  Ni168  1  0.545837  0.410604  0.570649  1
  Ni  Ni169  1  0.125479  0.501166  0.610403  1
  Ni  Ni170  1  0.625538  0.501578  0.610338  1
  Ni  Ni171  1  0.193838  0.864696  0.594625  1
  Ni  Ni172  1  0.262113  0.228253  0.578492  1
  Ni  Ni173  1  0.693766  0.864570  0.594559  1
  Ni  Ni174  1  0.761853  0.228415  0.578360  1
  Ni  Ni175  1  0.875651  0.501274  0.610355  1
  Ni  Ni176  1  0.375540  0.501418  0.610417  1
  Ni  Ni177  1  0.944332  0.864615  0.594619  1
  Ni  Ni178  1  0.012072  0.228124  0.578537  1
  Ni  Ni179  1  0.443363  0.864819  0.594613  1
  Ni  Ni180  1  0.511999  0.228408  0.578402  1
  Ni  Ni181  1  0.705630  0.592415  0.650099  1
  Ni  Ni182  1  0.204696  0.592399  0.650120  1
  Ni  Ni183  1  0.774214  0.955290  0.633785  1
  Ni  Ni184  1  0.636683  0.228570  0.665194  1
  Ni  Ni185  1  0.272067  0.956099  0.634354  1
  Ni  Ni186  1  0.341766  0.319227  0.618039  1
  Ni  Ni187  1  0.922672  0.408959  0.657636  1
  Ni  Ni188  1  0.422023  0.409802  0.657846  1
  Ni  Ni189  1  0.989456  0.774130  0.642637  1
  Ni  Ni190  1  0.057796  0.136563  0.626372  1
  Ni  Ni191  1  0.490094  0.773530  0.642429  1
  Ni  Ni192  1  0.558014  0.136588  0.625749  1
  Ni  Ni193  1  0.670593  0.410087  0.657653  1
  Ni  Ni194  1  0.171280  0.409158  0.657764  1
  Ni  Ni195  1  0.739030  0.774294  0.642701  1
  Ni  Ni196  1  0.807438  0.136692  0.625681  1
  Ni  Ni197  1  0.239089  0.773190  0.642347  1
  Ni  Ni198  1  0.308414  0.136595  0.626122  1
  Ni  Ni199  1  0.502623  0.499027  0.698503  1
  Ni  Ni200  1  0.001702  0.497808  0.698460  1
  Ni  Ni201  1  0.567861  0.866342  0.683344  1
  Ni  Ni202  1  0.433864  0.132552  0.712841  1
  Ni  Ni203  1  0.069145  0.865918  0.682997  1
  Ni  Ni204  1  0.138651  0.227835  0.665482  1
  Ni  Ni205  1  0.720772  0.314249  0.705596  1
  Ni  Ni206  1  0.219315  0.314433  0.705578  1
  Ni  Ni207  1  0.785668  0.682825  0.690802  1
  Ni  Ni208  1  0.855556  0.046807  0.673494  1
  Ni  Ni209  1  0.285665  0.682234  0.690687  1
  Ni  Ni210  1  0.351695  0.046814  0.674141  1
  Ni  Ni211  1  0.467741  0.316274  0.705989  1
  Ni  Ni212  1  0.972047  0.308791  0.705064  1
  Ni  Ni213  1  0.535483  0.682106  0.690693  1
  Ni  Ni214  1  0.602141  0.045442  0.672979  1
  Ni  Ni215  1  0.034194  0.682854  0.690792  1
  Ni  Ni216  1  0.101234  0.050823  0.676048  1
