# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.73808664
_cell_length_b   8.98676785
_cell_length_c   50.58199812
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.24552770
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6135.21731628
_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  0.634681  0.167617  0.318793  1
  Al  Al2  1  0.180762  0.295513  0.284272  1
  Al  Al3  1  0.749950  0.425527  0.303760  1
  Al  Al4  1  0.199421  0.297667  0.339781  1
  Al  Al5  1  0.778349  0.138327  0.277450  1
  Al  Al6  1  0.242527  0.002455  0.305852  1
  Al  Al7  1  0.846960  0.615532  0.278272  1
  Al  Al8  1  0.289888  0.488128  0.314172  1
  Al  Al9  1  0.995581  0.424634  0.302780  1
  Al  Al10  1  0.448791  0.300592  0.339811  1
  Al  Al11  1  0.060113  0.908370  0.306518  1
  Al  Al12  1  0.512336  0.780372  0.342890  1
  Al  Al13  1  0.024565  0.137077  0.271863  1
  Al  Al14  1  0.482698  0.009052  0.305208  1
  Al  Al15  1  0.105429  0.602896  0.278761  1
  Al  Al16  1  0.559972  0.486239  0.315638  1
  Al  Al17  1  0.811727  0.897569  0.305813  1
  Al  Al18  1  0.266147  0.782043  0.344026  1
  Al  Al19  1  0.901674  0.179994  0.317175  1
  Al  Al20  1  0.443657  0.349088  0.285848  1
  Al  Al21  1  0.111398  0.619384  0.334650  1
  Al  Al22  1  0.648575  0.737027  0.297312  1
  Al  Al23  1  0.855962  0.597642  0.337753  1
  Al  Al24  1  0.406677  0.711461  0.299395  1
  Al  Al25  1  0.552437  0.899476  0.395333  1
  Al  Al26  1  0.097325  0.027052  0.357605  1
  Al  Al27  1  0.652435  0.165332  0.376555  1
  Al  Al28  1  0.111117  0.034727  0.416448  1
  Al  Al29  1  0.691198  0.870672  0.346569  1
  Al  Al30  1  0.147723  0.738296  0.385504  1
  Al  Al31  1  0.753298  0.350381  0.352686  1
  Al  Al32  1  0.212185  0.219232  0.390656  1
  Al  Al33  1  0.903817  0.164924  0.376646  1
  Al  Al34  1  0.360853  0.035763  0.416133  1
  Al  Al35  1  0.968847  0.649588  0.382675  1
  Al  Al36  1  0.424997  0.518118  0.421446  1
  Al  Al37  1  0.938828  0.873349  0.346399  1
  Al  Al38  1  0.396944  0.738783  0.384453  1
  Al  Al39  1  0.008680  0.349851  0.352478  1
  Al  Al40  1  0.461037  0.217395  0.390174  1
  Al  Al41  1  0.723416  0.648637  0.383962  1
  Al  Al42  1  0.176171  0.516585  0.422182  1
  Al  Al43  1  0.804419  0.919698  0.391507  1
  Al  Al44  1  0.349257  0.046641  0.352327  1
  Al  Al45  1  0.020804  0.353257  0.410726  1
  Al  Al46  1  0.562747  0.488821  0.371632  1
  Al  Al47  1  0.766157  0.338499  0.414755  1
  Al  Al48  1  0.310682  0.470853  0.375589  1
  Al  Al49  1  0.461280  0.640317  0.473527  1
  Al  Al50  1  0.007046  0.770757  0.435097  1
  Al  Al51  1  0.565200  0.905728  0.454876  1
  Al  Al52  1  0.020696  0.773966  0.493860  1
  Al  Al53  1  0.602323  0.606925  0.423783  1
  Al  Al54  1  0.056987  0.476036  0.462723  1
  Al  Al55  1  0.666888  0.089724  0.428861  1
  Al  Al56  1  0.122777  0.957841  0.468213  1
  Al  Al57  1  0.815574  0.905435  0.454892  1
  Al  Al58  1  0.270519  0.774200  0.493848  1
  Al  Al59  1  0.880263  0.386797  0.460420  1
  Al  Al60  1  0.335221  0.256305  0.499334  1
  Al  Al61  1  0.852647  0.607719  0.423918  1
  Al  Al62  1  0.307581  0.476572  0.462521  1
  Al  Al63  1  0.916329  0.090485  0.428894  1
  Al  Al64  1  0.371525  0.957860  0.467783  1
  Al  Al65  1  0.629903  0.386041  0.460218  1
  Al  Al66  1  0.085768  0.254863  0.499387  1
  Al  Al67  1  0.715595  0.654997  0.469390  1
  Al  Al68  1  0.261502  0.785283  0.430807  1
  Al  Al69  1  0.930526  0.092408  0.487879  1
  Al  Al70  1  0.475827  0.223433  0.449112  1
  Al  Al71  1  0.676128  0.077784  0.492160  1
  Al  Al72  1  0.221856  0.208529  0.453645  1
  Al  Al73  1  0.371317  0.378080  0.551346  1
  Al  Al74  1  0.916618  0.509105  0.512579  1
  Al  Al75  1  0.475619  0.643653  0.532675  1
  Al  Al76  1  0.930815  0.511028  0.571564  1
  Al  Al77  1  0.511923  0.345208  0.501125  1
  Al  Al78  1  0.966881  0.214716  0.540039  1
  Al  Al79  1  0.576625  0.827313  0.506610  1
  Al  Al80  1  0.031570  0.696078  0.545567  1
  Al  Al81  1  0.724367  0.643672  0.532246  1
  Al  Al82  1  0.180255  0.511789  0.571598  1
  Al  Al83  1  0.790157  0.125477  0.537736  1
  Al  Al84  1  0.244821  0.994588  0.576676  1
  Al  Al85  1  0.761376  0.346650  0.501071  1
  Al  Al86  1  0.217241  0.215472  0.540241  1
  Al  Al87  1  0.826447  0.827547  0.506599  1
  Al  Al88  1  0.281943  0.695785  0.545583  1
  Al  Al89  1  0.539563  0.124941  0.537938  1
  Al  Al90  1  0.994497  0.993795  0.576540  1
  Al  Al91  1  0.625288  0.392984  0.546814  1
  Al  Al92  1  0.171016  0.523729  0.508298  1
  Al  Al93  1  0.840097  0.830756  0.565361  1
  Al  Al94  1  0.385864  0.961196  0.526931  1
  Al  Al95  1  0.585642  0.816230  0.569652  1
  Al  Al96  1  0.131549  0.946516  0.531069  1
  Al  Al97  1  0.284397  0.112692  0.628827  1
  Al  Al98  1  0.826340  0.248256  0.589732  1
  Al  Al99  1  0.386107  0.384118  0.610284  1
  Al  Al100  1  0.838464  0.251662  0.647980  1
  Al  Al101  1  0.422147  0.083395  0.579012  1
  Al  Al102  1  0.878296  0.951925  0.617783  1
  Al  Al103  1  0.486291  0.565750  0.584326  1
  Al  Al104  1  0.943327  0.436589  0.623813  1
  Al  Al105  1  0.634959  0.382281  0.609803  1
  Al  Al106  1  0.093846  0.251133  0.647772  1
  Al  Al107  1  0.699421  0.863217  0.614955  1
  Al  Al108  1  0.155945  0.730842  0.653889  1
  Al  Al109  1  0.670973  0.084929  0.578276  1
  Al  Al110  1  0.123728  0.952876  0.616496  1
  Al  Al111  1  0.736027  0.566787  0.584011  1
  Al  Al112  1  0.194709  0.436181  0.623904  1
  Al  Al113  1  0.450200  0.862730  0.616006  1
  Al  Al114  1  0.908316  0.728164  0.654059  1
  Al  Al115  1  0.536462  0.130660  0.624869  1
  Al  Al116  1  0.080987  0.263014  0.585704  1
  Al  Al117  1  0.749819  0.574461  0.642853  1
  Al  Al118  1  0.294707  0.702037  0.605125  1
  Al  Al119  1  0.497887  0.554872  0.648131  1
  Al  Al120  1  0.042725  0.681815  0.608951  1
  Al  Al121  1  0.198569  0.864486  0.703146  1
  Al  Al122  1  0.735746  0.982129  0.665809  1
  Al  Al123  1  0.287172  0.115274  0.684820  1
  Al  Al124  1  0.741715  0.998617  0.721698  1
  Al  Al125  1  0.334808  0.821141  0.657568  1
  Al  Al126  1  0.787030  0.693143  0.693940  1
  Al  Al127  1  0.398353  0.300921  0.660647  1
  Al  Al128  1  0.851563  0.176879  0.697678  1
  Al  Al129  1  0.557256  0.113385  0.686287  1
  Al  Al130  1  1.000184  0.985982  0.722186  1
  Al  Al131  1  0.604616  0.599058  0.694606  1
  Al  Al132  1  0.068794  0.463186  0.723009  1
  Al  Al133  1  0.580996  0.819470  0.656432  1
  Al  Al134  1  0.035417  0.703945  0.694645  1
  Al  Al135  1  0.647723  0.303846  0.660678  1
  Al  Al136  1  0.097194  0.175986  0.696698  1
  Al  Al137  1  0.364446  0.592462  0.695251  1
  Al  Al138  1  0.822579  0.464436  0.728595  1
  Al  Al139  1  0.440467  0.890052  0.701064  1
  Al  Al140  1  0.991182  0.003872  0.662706  1
  Al  Al141  1  0.666382  0.306000  0.716187  1
  Al  Al142  1  0.212462  0.433896  0.681665  1
  Al  Al143  1  0.403487  0.252425  0.714611  1
  Al  Al144  1  0.945469  0.421519  0.683284  1
  Ni  Ni145  1  0.081220  0.172124  0.316456  1
  Ni  Ni146  1  0.623327  0.327253  0.277536  1
  Ni  Ni147  1  0.878376  0.335597  0.272277  1
  Ni  Ni148  1  0.334205  0.206972  0.309254  1
  Ni  Ni149  1  0.676645  0.604954  0.339373  1
  Ni  Ni150  1  0.222385  0.740162  0.298485  1
  Ni  Ni151  1  0.964578  0.705024  0.307266  1
  Ni  Ni152  1  0.414265  0.578152  0.343087  1
  Ni  Ni153  1  0.987251  0.915399  0.392327  1
  Ni  Ni154  1  0.529553  0.044710  0.352240  1
  Ni  Ni155  1  0.786889  0.072483  0.344890  1
  Ni  Ni156  1  0.246251  0.938287  0.385542  1
  Ni  Ni157  1  0.584080  0.340151  0.413932  1
  Ni  Ni158  1  0.129213  0.471813  0.376567  1
  Ni  Ni159  1  0.872275  0.446029  0.382745  1
  Ni  Ni160  1  0.327258  0.317435  0.421129  1
  Ni  Ni161  1  0.897703  0.653870  0.469797  1
  Ni  Ni162  1  0.443272  0.784766  0.430562  1
  Ni  Ni163  1  0.700465  0.808499  0.424358  1
  Ni  Ni164  1  0.155766  0.676246  0.463187  1
  Ni  Ni165  1  0.494072  0.078403  0.491957  1
  Ni  Ni166  1  0.039731  0.208609  0.453403  1
  Ni  Ni167  1  0.781622  0.186773  0.459869  1
  Ni  Ni168  1  0.237481  0.055747  0.498905  1
  Ni  Ni169  1  0.807413  0.392904  0.547055  1
  Ni  Ni170  1  0.353072  0.523110  0.508501  1
  Ni  Ni171  1  0.609663  0.545766  0.501554  1
  Ni  Ni172  1  0.065522  0.414740  0.540589  1
  Ni  Ni173  1  0.403872  0.816747  0.569897  1
  Ni  Ni174  1  0.949441  0.947643  0.530661  1
  Ni  Ni175  1  0.691378  0.925268  0.537271  1
  Ni  Ni176  1  0.146679  0.793014  0.576100  1
  Ni  Ni177  1  0.717931  0.129701  0.623892  1
  Ni  Ni178  1  0.263064  0.261362  0.586526  1
  Ni  Ni179  1  0.519886  0.284078  0.579330  1
  Ni  Ni180  1  0.974869  0.155485  0.617713  1
  Ni  Ni181  1  0.317591  0.556803  0.648218  1
  Ni  Ni182  1  0.859892  0.686114  0.608131  1
  Ni  Ni183  1  0.600893  0.663226  0.614917  1
  Ni  Ni184  1  0.060255  0.529030  0.655569  1
  Ni  Ni185  1  0.624759  0.861351  0.701973  1
  Ni  Ni186  1  0.170499  0.996559  0.661086  1
  Ni  Ni187  1  0.432879  0.023362  0.657372  1
  Ni  Ni188  1  0.882565  0.896489  0.693192  1
  Ni  Ni189  1  0.223817  0.274260  0.722923  1
  Ni  Ni190  1  0.765924  0.429389  0.684003  1
  Ni  Ni191  1  0.512939  0.394541  0.691205  1
  Ni  Ni192  1  0.968768  0.265916  0.728182  1
