# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.65987232
_cell_length_b   16.08016296
_cell_length_c   45.84419334
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.77650947
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   8382.62673519
_cell_formula_units_Z   64
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  0.704594  0.233253  0.369270  1
  Al  Al2  1  0.073713  0.298176  0.317533  1
  Al  Al3  1  0.204594  0.733253  0.369270  1
  Al  Al4  1  0.573713  0.798176  0.317533  1
  Al  Al5  1  0.323432  0.392296  0.313792  1
  Al  Al6  1  0.961474  0.332709  0.369996  1
  Al  Al7  1  0.823432  0.892296  0.313792  1
  Al  Al8  1  0.461474  0.832709  0.369996  1
  Al  Al9  1  0.275431  0.220560  0.292168  1
  Al  Al10  1  0.907887  0.161460  0.348260  1
  Al  Al11  1  0.775431  0.720560  0.292168  1
  Al  Al12  1  0.407887  0.661460  0.348260  1
  Al  Al13  1  0.567145  0.450785  0.306650  1
  Al  Al14  1  0.199680  0.393769  0.364444  1
  Al  Al15  1  0.067145  0.950785  0.306650  1
  Al  Al16  1  0.699680  0.893769  0.364444  1
  Al  Al17  1  0.555349  0.349320  0.356230  1
  Al  Al18  1  0.913097  0.407587  0.297599  1
  Al  Al19  1  0.055349  0.849320  0.356230  1
  Al  Al20  1  0.413097  0.907587  0.297599  1
  Al  Al21  1  0.841565  0.580854  0.370808  1
  Al  Al22  1  0.207800  0.640331  0.314778  1
  Al  Al23  1  0.341565  0.080854  0.370808  1
  Al  Al24  1  0.707800  0.140331  0.314778  1
  Al  Al25  1  0.496932  0.175095  0.332441  1
  Al  Al26  1  0.888902  0.232097  0.279990  1
  Al  Al27  1  0.996932  0.675095  0.332441  1
  Al  Al28  1  0.388902  0.732097  0.279990  1
  Al  Al29  1  0.792254  0.409928  0.349054  1
  Al  Al30  1  0.156225  0.472930  0.292112  1
  Al  Al31  1  0.292254  0.909928  0.349054  1
  Al  Al32  1  0.656225  0.972930  0.292112  1
  Al  Al33  1  0.618089  0.628779  0.331708  1
  Al  Al34  1  0.251000  0.564692  0.385310  1
  Al  Al35  1  0.118089  0.128779  0.331708  1
  Al  Al36  1  0.751000  0.064692  0.385310  1
  Al  Al37  1  0.670747  0.305390  0.302999  1
  Al  Al38  1  0.311073  0.252963  0.354662  1
  Al  Al39  1  0.170747  0.805390  0.302999  1
  Al  Al40  1  0.811073  0.752963  0.354662  1
  Al  Al41  1  0.414580  0.565836  0.296680  1
  Al  Al42  1  0.047137  0.505128  0.348354  1
  Al  Al43  1  0.914580  0.065836  0.296680  1
  Al  Al44  1  0.547137  0.005128  0.348354  1
  Al  Al45  1  0.440105  0.490882  0.363430  1
  Al  Al46  1  0.798286  0.550141  0.310088  1
  Al  Al47  1  0.940105  0.990882  0.363430  1
  Al  Al48  1  0.298286  0.050141  0.310088  1
  Al  Al49  1  0.972198  0.114411  0.482012  1
  Al  Al50  1  0.340601  0.174656  0.426014  1
  Al  Al51  1  0.472198  0.614411  0.482012  1
  Al  Al52  1  0.840601  0.674656  0.426014  1
  Al  Al53  1  0.595684  0.273021  0.424556  1
  Al  Al54  1  0.231040  0.213681  0.480947  1
  Al  Al55  1  0.095684  0.773021  0.424556  1
  Al  Al56  1  0.731040  0.713681  0.480947  1
  Al  Al57  1  0.544164  0.101272  0.402832  1
  Al  Al58  1  0.178495  0.041632  0.459017  1
  Al  Al59  1  0.044164  0.601272  0.402832  1
  Al  Al60  1  0.678495  0.541632  0.459017  1
  Al  Al61  1  0.832133  0.334747  0.419361  1
  Al  Al62  1  0.468240  0.275019  0.475002  1
  Al  Al63  1  0.332133  0.834747  0.419361  1
  Al  Al64  1  0.968240  0.775019  0.475002  1
  Al  Al65  1  0.819552  0.228174  0.466733  1
  Al  Al66  1  0.187519  0.287673  0.411958  1
  Al  Al67  1  0.319552  0.728174  0.466733  1
  Al  Al68  1  0.687519  0.787673  0.411958  1
  Al  Al69  1  0.109363  0.461526  0.482700  1
  Al  Al70  1  0.474909  0.520872  0.426845  1
  Al  Al71  1  0.609363  0.961526  0.482700  1
  Al  Al72  1  0.974909  0.020872  0.426845  1
  Al  Al73  1  0.768104  0.057286  0.445138  1
  Al  Al74  1  0.135741  0.115573  0.390171  1
  Al  Al75  1  0.268104  0.557286  0.445138  1
  Al  Al76  1  0.635741  0.615573  0.390171  1
  Al  Al77  1  0.056640  0.289527  0.461352  1
  Al  Al78  1  0.423101  0.349980  0.405095  1
  Al  Al79  1  0.556640  0.789527  0.461352  1
  Al  Al80  1  0.923101  0.849980  0.405095  1
  Al  Al81  1  0.885869  0.506233  0.440944  1
  Al  Al82  1  0.519556  0.446344  0.496744  1
  Al  Al83  1  0.385869  0.006233  0.440944  1
  Al  Al84  1  0.019556  0.946344  0.496744  1
  Al  Al85  1  0.945458  0.191791  0.410085  1
  Al  Al86  1  0.579224  0.132362  0.465250  1
  Al  Al87  1  0.445458  0.691791  0.410085  1
  Al  Al88  1  0.079224  0.632362  0.465250  1
  Al  Al89  1  0.681836  0.448579  0.403704  1
  Al  Al90  1  0.315631  0.388713  0.460192  1
  Al  Al91  1  0.181836  0.948579  0.403704  1
  Al  Al92  1  0.815631  0.888713  0.460192  1
  Al  Al93  1  0.708356  0.371009  0.476390  1
  Al  Al94  1  0.073782  0.430164  0.420594  1
  Al  Al95  1  0.208356  0.871009  0.476390  1
  Al  Al96  1  0.573782  0.930164  0.420594  1
  Al  Al97  1  0.239688  0.995112  0.594004  1
  Al  Al98  1  0.605893  0.054978  0.537516  1
  Al  Al99  1  0.739688  0.495112  0.594004  1
  Al  Al100  1  0.105893  0.554978  0.537516  1
  Al  Al101  1  0.864883  0.154165  0.536356  1
  Al  Al102  1  0.498422  0.093711  0.592613  1
  Al  Al103  1  0.364883  0.654165  0.536356  1
  Al  Al104  1  0.998422  0.593711  0.592613  1
  Al  Al105  1  0.812161  0.982165  0.515008  1
  Al  Al106  1  0.446614  0.922819  0.570863  1
  Al  Al107  1  0.312161  0.482165  0.515008  1
  Al  Al108  1  0.946614  0.422819  0.570863  1
  Al  Al109  1  0.101972  0.215517  0.530975  1
  Al  Al110  1  0.734004  0.156018  0.585750  1
  Al  Al111  1  0.601972  0.715517  0.530975  1
  Al  Al112  1  0.234004  0.656018  0.585750  1
  Al  Al113  1  0.089390  0.108944  0.578347  1
  Al  Al114  1  0.453283  0.168672  0.522706  1
  Al  Al115  1  0.589390  0.608944  0.578347  1
  Al  Al116  1  0.953283  0.668672  0.522706  1
  Al  Al117  1  0.377360  0.342419  0.594876  1
  Al  Al118  1  0.743028  0.402060  0.538691  1
  Al  Al119  1  0.877360  0.842419  0.594876  1
  Al  Al120  1  0.243028  0.902060  0.538691  1
  Al  Al121  1  0.035654  0.937458  0.556764  1
  Al  Al122  1  0.401967  0.997347  0.500964  1
  Al  Al123  1  0.535654  0.437458  0.556764  1
  Al  Al124  1  0.901967  0.497347  0.500964  1
  Al  Al125  1  0.325839  0.170670  0.573152  1
  Al  Al126  1  0.690484  0.230010  0.516761  1
  Al  Al127  1  0.825839  0.670670  0.573152  1
  Al  Al128  1  0.190484  0.730010  0.516761  1
  Al  Al129  1  0.153420  0.386405  0.552570  1
  Al  Al130  1  0.785782  0.328118  0.607536  1
  Al  Al131  1  0.653420  0.886405  0.552570  1
  Al  Al132  1  0.285782  0.828118  0.607536  1
  Al  Al133  1  0.213167  0.072683  0.521318  1
  Al  Al134  1  0.847741  0.013527  0.577114  1
  Al  Al135  1  0.713167  0.572683  0.521318  1
  Al  Al136  1  0.347741  0.513527  0.577114  1
  Al  Al137  1  0.949326  0.329281  0.515696  1
  Al  Al138  1  0.580923  0.269035  0.571694  1
  Al  Al139  1  0.449326  0.829281  0.515696  1
  Al  Al140  1  0.080923  0.769035  0.571694  1
  Al  Al141  1  0.976065  0.251901  0.587623  1
  Al  Al142  1  0.342300  0.311329  0.532458  1
  Al  Al143  1  0.476065  0.751901  0.587623  1
  Al  Al144  1  0.842300  0.811329  0.532458  1
  Al  Al145  1  0.506944  0.877856  0.701028  1
  Al  Al146  1  0.874386  0.938563  0.649354  1
  Al  Al147  1  0.006944  0.377856  0.701028  1
  Al  Al148  1  0.374386  0.438563  0.649354  1
  Al  Al149  1  0.129270  0.033763  0.648654  1
  Al  Al150  1  0.765298  0.970761  0.705596  1
  Al  Al151  1  0.629270  0.533763  0.648654  1
  Al  Al152  1  0.265298  0.470761  0.705596  1
  Al  Al153  1  0.079959  0.862837  0.626899  1
  Al  Al154  1  0.713724  0.803360  0.682930  1
  Al  Al155  1  0.579959  0.362837  0.626899  1
  Al  Al156  1  0.213724  0.303360  0.682930  1
  Al  Al157  1  0.366175  0.094371  0.641478  1
  Al  Al158  1  0.008427  0.036104  0.700109  1
  Al  Al159  1  0.866175  0.594371  0.641478  1
  Al  Al160  1  0.508427  0.536104  0.700109  1
  Al  Al161  1  0.354379  0.992906  0.691058  1
  Al  Al162  1  0.721843  0.049922  0.633263  1
  Al  Al163  1  0.854379  0.492906  0.691058  1
  Al  Al164  1  0.221843  0.549922  0.633263  1
  Al  Al165  1  0.646093  0.223131  0.705540  1
  Al  Al166  1  0.013636  0.282231  0.649448  1
  Al  Al167  1  0.146093  0.723131  0.705540  1
  Al  Al168  1  0.513636  0.782231  0.649448  1
  Al  Al169  1  0.303434  0.814912  0.666000  1
  Al  Al170  1  0.670524  0.878999  0.612397  1
  Al  Al171  1  0.803434  0.314912  0.666000  1
  Al  Al172  1  0.170524  0.378999  0.612397  1
  Al  Al173  1  0.598092  0.051396  0.683916  1
  Al  Al174  1  0.960050  0.110982  0.627712  1
  Al  Al175  1  0.098092  0.551396  0.683916  1
  Al  Al176  1  0.460050  0.610982  0.627712  1
  Al  Al177  1  0.424591  0.268596  0.665267  1
  Al  Al178  1  0.032621  0.211594  0.717718  1
  Al  Al179  1  0.924591  0.768596  0.665267  1
  Al  Al180  1  0.532621  0.711594  0.717718  1
  Al  Al181  1  0.481419  0.952809  0.634278  1
  Al  Al182  1  0.123237  0.893550  0.687620  1
  Al  Al183  1  0.981419  0.452809  0.634278  1
  Al  Al184  1  0.623237  0.393550  0.687620  1
  Al  Al185  1  0.216930  0.210438  0.628438  1
  Al  Al186  1  0.847810  0.145515  0.680175  1
  Al  Al187  1  0.716930  0.710438  0.628438  1
  Al  Al188  1  0.347810  0.645515  0.680175  1
  Al  Al189  1  0.250777  0.138301  0.694709  1
  Al  Al190  1  0.610451  0.190728  0.643045  1
  Al  Al191  1  0.750777  0.638301  0.694709  1
  Al  Al192  1  0.110451  0.690728  0.643045  1
  Ni  Ni193  1  0.475091  0.219983  0.382607  1
  Ni  Ni194  1  0.846309  0.281112  0.327423  1
  Ni  Ni195  1  0.975091  0.719983  0.382607  1
  Ni  Ni196  1  0.346309  0.781112  0.327423  1
  Ni  Ni197  1  0.458594  0.301137  0.311818  1
  Ni  Ni198  1  0.097290  0.240599  0.366046  1
  Ni  Ni199  1  0.958594  0.801137  0.311818  1
  Ni  Ni200  1  0.597290  0.740599  0.366046  1
  Ni  Ni201  1  0.627397  0.587704  0.282892  1
  Ni  Ni202  1  0.269383  0.520284  0.335544  1
  Ni  Ni203  1  0.127397  0.087704  0.282892  1
  Ni  Ni204  1  0.769383  0.020284  0.335544  1
  Ni  Ni205  1  0.653109  0.501505  0.353498  1
  Ni  Ni206  1  0.010271  0.557976  0.300540  1
  Ni  Ni207  1  0.153109  1.001505  0.353498  1
  Ni  Ni208  1  0.510271  0.057976  0.300540  1
  Ni  Ni209  1  0.741515  0.100809  0.494985  1
  Ni  Ni210  1  0.107344  0.160174  0.439638  1
  Ni  Ni211  1  0.241515  0.600809  0.494985  1
  Ni  Ni212  1  0.607344  0.660174  0.439638  1
  Ni  Ni213  1  0.733032  0.181298  0.419519  1
  Ni  Ni214  1  0.367419  0.121519  0.475734  1
  Ni  Ni215  1  0.233032  0.681298  0.419519  1
  Ni  Ni216  1  0.867419  0.621519  0.475734  1
  Ni  Ni217  1  0.911049  0.462203  0.391137  1
  Ni  Ni218  1  0.546189  0.402435  0.446686  1
  Ni  Ni219  1  0.411049  0.962203  0.391137  1
  Ni  Ni220  1  0.046189  0.902435  0.446686  1
  Ni  Ni221  1  0.920264  0.381852  0.466064  1
  Ni  Ni222  1  0.286164  0.441275  0.410757  1
  Ni  Ni223  1  0.420264  0.881852  0.466064  1
  Ni  Ni224  1  0.786164  0.941275  0.410757  1
  Ni  Ni225  1  0.010474  0.981488  0.606571  1
  Ni  Ni226  1  0.375335  0.041256  0.551022  1
  Ni  Ni227  1  0.510474  0.481488  0.606571  1
  Ni  Ni228  1  0.875335  0.541256  0.551022  1
  Ni  Ni229  1  1.001259  0.061839  0.531643  1
  Ni  Ni230  1  0.635359  1.002416  0.586951  1
  Ni  Ni231  1  0.501259  0.561839  0.531643  1
  Ni  Ni232  1  0.135359  0.502416  0.586951  1
  Ni  Ni233  1  0.180009  0.342883  0.502723  1
  Ni  Ni234  1  0.814180  0.283517  0.558069  1
  Ni  Ni235  1  0.680009  0.842883  0.502723  1
  Ni  Ni236  1  0.314180  0.783517  0.558069  1
  Ni  Ni237  1  0.188492  0.262393  0.578189  1
  Ni  Ni238  1  0.554105  0.322172  0.521974  1
  Ni  Ni239  1  0.688492  0.762393  0.578189  1
  Ni  Ni240  1  0.054105  0.822172  0.521974  1
  Ni  Ni241  1  0.294127  0.855987  0.714816  1
  Ni  Ni242  1  0.652141  0.923407  0.662164  1
  Ni  Ni243  1  0.794127  0.355987  0.714816  1
  Ni  Ni244  1  0.152141  0.423407  0.662164  1
  Ni  Ni245  1  0.268414  0.942186  0.644210  1
  Ni  Ni246  1  0.911253  0.885715  0.697168  1
  Ni  Ni247  1  0.768414  0.442186  0.644210  1
  Ni  Ni248  1  0.411253  0.385715  0.697168  1
  Ni  Ni249  1  0.446433  0.223708  0.615101  1
  Ni  Ni250  1  0.075214  0.162579  0.670285  1
  Ni  Ni251  1  0.946433  0.723708  0.615101  1
  Ni  Ni252  1  0.575214  0.662579  0.670285  1
  Ni  Ni253  1  0.462930  0.142555  0.685890  1
  Ni  Ni254  1  0.824233  0.203092  0.631662  1
  Ni  Ni255  1  0.962930  0.642555  0.685890  1
  Ni  Ni256  1  0.324233  0.703092  0.631662  1
