# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.10943348
_cell_length_b   12.22116014
_cell_length_c   48.72223882
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   62.06769817
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al192 Ni64'
_cell_volume   8474.75828423
_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  0.905415  0.996797  0.384557  1
  Al  Al2  1  0.405415  0.996797  0.384557  1
  Al  Al3  1  1.000951  0.235777  0.332235  1
  Al  Al4  1  0.500951  0.235777  0.332235  1
  Al  Al5  1  0.058919  0.432894  0.331806  1
  Al  Al6  1  0.558919  0.432894  0.331806  1
  Al  Al7  1  0.975853  0.181382  0.384988  1
  Al  Al8  1  0.475853  0.181382  0.384988  1
  Al  Al9  1  0.122096  0.251274  0.293106  1
  Al  Al10  1  0.622096  0.251274  0.293106  1
  Al  Al11  1  0.057889  0.977956  0.349260  1
  Al  Al12  1  0.557889  0.977956  0.349260  1
  Al  Al13  1  0.121921  0.586399  0.326596  1
  Al  Al14  1  0.621921  0.586399  0.326596  1
  Al  Al15  1  0.062412  0.321470  0.380469  1
  Al  Al16  1  0.562412  0.321470  0.380469  1
  Al  Al17  1  0.307862  0.371608  0.346268  1
  Al  Al18  1  0.807862  0.371608  0.346268  1
  Al  Al19  1  0.413714  0.624057  0.296011  1
  Al  Al20  1  0.913714  0.624057  0.296011  1
  Al  Al21  1  0.313924  0.710621  0.380961  1
  Al  Al22  1  0.813924  0.710621  0.380961  1
  Al  Al23  1  0.313181  0.074958  0.303718  1
  Al  Al24  1  0.813181  0.074958  0.303718  1
  Al  Al25  1  0.373405  0.262684  0.295094  1
  Al  Al26  1  0.873405  0.262684  0.295094  1
  Al  Al27  1  0.285330  0.934074  0.355677  1
  Al  Al28  1  0.785330  0.934074  0.355677  1
  Al  Al29  1  0.391337  0.512418  0.341408  1
  Al  Al30  1  0.891337  0.512418  0.341408  1
  Al  Al31  1  0.499348  0.790454  0.296786  1
  Al  Al32  1  0.999348  0.790454  0.296786  1
  Al  Al33  1  0.077216  0.770602  0.364551  1
  Al  Al34  1  0.577216  0.770602  0.364551  1
  Al  Al35  1  0.165580  0.023899  0.313603  1
  Al  Al36  1  0.665580  0.023899  0.313603  1
  Al  Al37  1  0.277626  0.523211  0.301726  1
  Al  Al38  1  0.777626  0.523211  0.301726  1
  Al  Al39  1  0.216899  0.211605  0.345306  1
  Al  Al40  1  0.716899  0.211605  0.345306  1
  Al  Al41  1  0.493845  0.024018  0.301106  1
  Al  Al42  1  0.993845  0.024018  0.301106  1
  Al  Al43  1  0.439083  0.715044  0.343081  1
  Al  Al44  1  0.939083  0.715044  0.343081  1
  Al  Al45  1  0.150440  0.488014  0.382401  1
  Al  Al46  1  0.650440  0.488014  0.382401  1
  Al  Al47  1  0.236271  0.756581  0.327847  1
  Al  Al48  1  0.736271  0.756581  0.327847  1
  Al  Al49  1  0.732837  0.481476  0.496911  1
  Al  Al50  1  0.232837  0.481476  0.496911  1
  Al  Al51  1  0.819448  0.733411  0.440654  1
  Al  Al52  1  0.319448  0.733411  0.440654  1
  Al  Al53  1  0.899160  0.926887  0.443351  1
  Al  Al54  1  0.399160  0.926887  0.443351  1
  Al  Al55  1  0.809923  0.670018  0.499582  1
  Al  Al56  1  0.309923  0.670018  0.499582  1
  Al  Al57  1  0.969719  0.726091  0.400746  1
  Al  Al58  1  0.469719  0.726091  0.400746  1
  Al  Al59  1  0.880906  0.472795  0.455070  1
  Al  Al60  1  0.380906  0.472795  0.455070  1
  Al  Al61  1  0.984289  0.066846  0.433873  1
  Al  Al62  1  0.484289  0.066846  0.433873  1
  Al  Al63  1  0.895279  0.810464  0.490382  1
  Al  Al64  1  0.395279  0.810464  0.490382  1
  Al  Al65  1  0.124021  0.864055  0.456551  1
  Al  Al66  1  0.624021  0.864055  0.456551  1
  Al  Al67  1  0.217564  0.117391  0.402296  1
  Al  Al68  1  0.717564  0.117391  0.402296  1
  Al  Al69  1  0.141690  0.199563  0.493209  1
  Al  Al70  1  0.641690  0.199563  0.493209  1
  Al  Al71  1  0.229337  0.454825  0.436873  1
  Al  Al72  1  0.729337  0.454825  0.436873  1
  Al  Al73  1  0.191542  0.667346  0.410593  1
  Al  Al74  1  0.691542  0.667346  0.410593  1
  Al  Al75  1  0.110792  0.411307  0.468350  1
  Al  Al76  1  0.610792  0.411307  0.468350  1
  Al  Al77  1  0.213819  0.999370  0.448498  1
  Al  Al78  1  0.713819  0.999370  0.448498  1
  Al  Al79  1  0.301100  0.255414  0.391523  1
  Al  Al80  1  0.801100  0.255414  0.391523  1
  Al  Al81  1  0.913802  0.261568  0.479179  1
  Al  Al82  1  0.413802  0.261568  0.479179  1
  Al  Al83  1  1.001023  0.512385  0.424569  1
  Al  Al84  1  0.501023  0.512385  0.424569  1
  Al  Al85  1  0.143683  0.939199  0.397665  1
  Al  Al86  1  0.643683  0.939199  0.397665  1
  Al  Al87  1  0.052432  0.686549  0.452651  1
  Al  Al88  1  0.552432  0.686549  0.452651  1
  Al  Al89  1  0.367190  0.456814  0.394252  1
  Al  Al90  1  0.867190  0.456814  0.394252  1
  Al  Al91  1  0.291114  0.194128  0.450585  1
  Al  Al92  1  0.791114  0.194128  0.450585  1
  Al  Al93  1  0.970084  0.988003  0.495409  1
  Al  Al94  1  0.470084  0.988003  0.495409  1
  Al  Al95  1  0.059652  0.239872  0.439599  1
  Al  Al96  1  0.559652  0.239872  0.439599  1
  Al  Al97  1  0.568303  0.962269  0.609354  1
  Al  Al98  1  0.068303  0.962269  0.609354  1
  Al  Al99  1  0.644379  0.224955  0.553022  1
  Al  Al100  1  0.144379  0.224955  0.553022  1
  Al  Al101  1  0.721674  0.419713  0.555109  1
  Al  Al102  1  0.221674  0.419713  0.555109  1
  Al  Al103  1  0.634393  0.163669  0.612084  1
  Al  Al104  1  0.134393  0.163669  0.612084  1
  Al  Al105  1  0.793802  0.219520  0.510398  1
  Al  Al106  1  0.293802  0.219520  0.510398  1
  Al  Al107  1  0.706156  0.964257  0.566733  1
  Al  Al108  1  0.206156  0.964257  0.566733  1
  Al  Al109  1  0.811472  0.555028  0.547055  1
  Al  Al110  1  0.311472  0.555028  0.547055  1
  Al  Al111  1  0.717928  0.301692  0.601310  1
  Al  Al112  1  0.217928  0.301692  0.601310  1
  Al  Al113  1  0.951203  0.352236  0.569734  1
  Al  Al114  1  0.451203  0.352236  0.569734  1
  Al  Al115  1  0.040214  0.608618  0.513224  1
  Al  Al116  1  0.540214  0.608618  0.513224  1
  Al  Al117  1  0.965773  0.692992  0.602860  1
  Al  Al118  1  0.465773  0.692992  0.602860  1
  Al  Al119  1  0.054587  0.946287  0.548536  1
  Al  Al120  1  0.554587  0.946287  0.548536  1
  Al  Al121  1  0.021691  0.157515  0.524427  1
  Al  Al122  1  0.521691  0.157515  0.524427  1
  Al  Al123  1  0.934470  0.906698  0.579037  1
  Al  Al124  1  0.434470  0.906698  0.579037  1
  Al  Al125  1  0.036333  0.492196  0.560255  1
  Al  Al126  1  0.536333  0.492196  0.560255  1
  Al  Al127  1  0.125569  0.749064  0.504025  1
  Al  Al128  1  0.625569  0.749064  0.504025  1
  Al  Al129  1  0.743951  0.751737  0.593013  1
  Al  Al130  1  0.243951  0.751737  0.593013  1
  Al  Al131  1  0.824701  0.007775  0.535256  1
  Al  Al132  1  0.324701  0.007775  0.535256  1
  Al  Al133  1  0.965408  0.431080  0.508197  1
  Al  Al134  1  0.465408  0.431080  0.508197  1
  Al  Al135  1  0.875841  0.179210  0.564007  1
  Al  Al136  1  0.375841  0.179210  0.564007  1
  Al  Al137  1  0.202656  0.937607  0.506695  1
  Al  Al138  1  0.702656  0.937607  0.506695  1
  Al  Al139  1  0.116045  0.685672  0.562952  1
  Al  Al140  1  0.616045  0.685672  0.562952  1
  Al  Al141  1  0.791809  0.479884  0.605941  1
  Al  Al142  1  0.291809  0.479884  0.605941  1
  Al  Al143  1  0.883061  0.732534  0.550955  1
  Al  Al144  1  0.383061  0.732534  0.550955  1
  Al  Al145  1  0.441647  0.395064  0.702500  1
  Al  Al146  1  0.941647  0.395064  0.702500  1
  Al  Al147  1  0.496410  0.704038  0.660525  1
  Al  Al148  1  0.996410  0.704038  0.660525  1
  Al  Al149  1  0.544156  0.906665  0.662198  1
  Al  Al150  1  0.044156  0.906665  0.662198  1
  Al  Al151  1  0.436144  0.628629  0.706820  1
  Al  Al152  1  0.936144  0.628629  0.706820  1
  Al  Al153  1  0.621569  0.708461  0.622645  1
  Al  Al154  1  0.121569  0.708461  0.622645  1
  Al  Al155  1  0.622312  0.344125  0.699888  1
  Al  Al156  1  0.122312  0.344125  0.699888  1
  Al  Al157  1  0.627631  0.047474  0.657338  1
  Al  Al158  1  0.127631  0.047474  0.657338  1
  Al  Al159  1  0.521778  0.795025  0.707595  1
  Al  Al160  1  0.021778  0.795025  0.707595  1
  Al  Al161  1  0.813572  0.832684  0.677010  1
  Al  Al162  1  0.313572  0.832684  0.677010  1
  Al  Al163  1  0.873081  0.097612  0.623138  1
  Al  Al164  1  0.373081  0.097612  0.623138  1
  Al  Al165  1  0.813397  0.167808  0.710500  1
  Al  Al166  1  0.313397  0.167808  0.710500  1
  Al  Al167  1  0.877604  0.441126  0.654346  1
  Al  Al168  1  0.377604  0.441126  0.654346  1
  Al  Al169  1  0.858276  0.648480  0.639055  1
  Al  Al170  1  0.358276  0.648480  0.639055  1
  Al  Al171  1  0.769912  0.395183  0.690003  1
  Al  Al172  1  0.269912  0.395183  0.690003  1
  Al  Al173  1  0.876573  0.986189  0.671801  1
  Al  Al174  1  0.376573  0.986189  0.671801  1
  Al  Al175  1  0.959640  0.237701  0.618618  1
  Al  Al176  1  0.459640  0.237701  0.618618  1
  Al  Al177  1  0.562087  0.156398  0.708512  1
  Al  Al178  1  0.062087  0.156398  0.708512  1
  Al  Al179  1  0.650163  0.485008  0.647929  1
  Al  Al180  1  0.150163  0.485008  0.647929  1
  Al  Al181  1  0.785053  0.931069  0.621205  1
  Al  Al182  1  0.285053  0.931069  0.621205  1
  Al  Al183  1  0.699222  0.662502  0.675760  1
  Al  Al184  1  0.199222  0.662502  0.675760  1
  Al  Al185  1  0.030078  0.422285  0.619050  1
  Al  Al186  1  0.530078  0.422285  0.619050  1
  Al  Al187  1  0.934542  0.183306  0.671371  1
  Al  Al188  1  0.434542  0.183306  0.671371  1
  Al  Al189  1  0.657867  0.895871  0.701880  1
  Al  Al190  1  0.157867  0.895871  0.701880  1
  Al  Al191  1  0.718594  0.207477  0.658300  1
  Al  Al192  1  0.218594  0.207477  0.658300  1
  Ni  Ni193  1  0.388672  0.146092  0.342340  1
  Ni  Ni194  1  0.888672  0.146092  0.342340  1
  Ni  Ni195  1  0.451187  0.400545  0.298029  1
  Ni  Ni196  1  0.951187  0.400545  0.298029  1
  Ni  Ni197  1  0.208745  0.364486  0.307968  1
  Ni  Ni198  1  0.708745  0.364486  0.307968  1
  Ni  Ni199  1  0.129436  0.105903  0.362301  1
  Ni  Ni200  1  0.629436  0.105903  0.362301  1
  Ni  Ni201  1  0.932448  0.924016  0.336367  1
  Ni  Ni202  1  0.432448  0.924016  0.336367  1
  Ni  Ni203  1  0.984079  0.545190  0.375501  1
  Ni  Ni204  1  0.484079  0.545190  0.375501  1
  Ni  Ni205  1  0.236114  0.592634  0.359990  1
  Ni  Ni206  1  0.736114  0.592634  0.359990  1
  Ni  Ni207  1  0.331413  0.856179  0.307531  1
  Ni  Ni208  1  0.831413  0.856179  0.307531  1
  Ni  Ni209  1  0.217615  0.640213  0.461603  1
  Ni  Ni210  1  0.717615  0.640213  0.461603  1
  Ni  Ni211  1  0.308166  0.893165  0.406085  1
  Ni  Ni212  1  0.808166  0.893165  0.406085  1
  Ni  Ni213  1  0.039539  0.855023  0.414117  1
  Ni  Ni214  1  0.539539  0.855023  0.414117  1
  Ni  Ni215  1  0.953244  0.597277  0.471836  1
  Ni  Ni216  1  0.453244  0.597277  0.471836  1
  Ni  Ni217  1  0.893918  0.290682  0.428461  1
  Ni  Ni218  1  0.393918  0.290682  0.428461  1
  Ni  Ni219  1  0.804917  0.034697  0.485263  1
  Ni  Ni220  1  0.304917  0.034697  0.485263  1
  Ni  Ni221  1  0.069746  0.075478  0.476156  1
  Ni  Ni222  1  0.569746  0.075478  0.476156  1
  Ni  Ni223  1  0.157793  0.330519  0.420016  1
  Ni  Ni224  1  0.657793  0.330519  0.420016  1
  Ni  Ni225  1  0.041575  0.128400  0.575145  1
  Ni  Ni226  1  0.541575  0.128400  0.575145  1
  Ni  Ni227  1  0.130575  0.384385  0.518343  1
  Ni  Ni228  1  0.630575  0.384385  0.518343  1
  Ni  Ni229  1  0.865747  0.343605  0.527450  1
  Ni  Ni230  1  0.365747  0.343605  0.527450  1
  Ni  Ni231  1  0.777700  0.088564  0.583590  1
  Ni  Ni232  1  0.277700  0.088564  0.583590  1
  Ni  Ni233  1  0.717878  0.778870  0.542003  1
  Ni  Ni234  1  0.217878  0.778870  0.542003  1
  Ni  Ni235  1  0.627327  0.525918  0.597521  1
  Ni  Ni236  1  0.127327  0.525918  0.597521  1
  Ni  Ni237  1  0.895954  0.564059  0.589490  1
  Ni  Ni238  1  0.395954  0.564059  0.589490  1
  Ni  Ni239  1  0.982248  0.821806  0.531770  1
  Ni  Ni240  1  0.482248  0.821806  0.531770  1
  Ni  Ni241  1  0.003045  0.495066  0.667239  1
  Ni  Ni242  1  0.503045  0.495066  0.667239  1
  Ni  Ni243  1  0.951414  0.873892  0.628105  1
  Ni  Ni244  1  0.451414  0.873892  0.628105  1
  Ni  Ni245  1  0.699378  0.826449  0.643616  1
  Ni  Ni246  1  0.199378  0.826449  0.643616  1
  Ni  Ni247  1  0.604080  0.562903  0.696076  1
  Ni  Ni248  1  0.104080  0.562903  0.696076  1
  Ni  Ni249  1  0.546821  0.272990  0.661266  1
  Ni  Ni250  1  0.046821  0.272990  0.661266  1
  Ni  Ni251  1  0.484306  0.018537  0.705577  1
  Ni  Ni252  1  0.984306  0.018537  0.705577  1
  Ni  Ni253  1  0.726747  0.054597  0.695638  1
  Ni  Ni254  1  0.226747  0.054597  0.695638  1
  Ni  Ni255  1  0.806057  0.313179  0.641305  1
  Ni  Ni256  1  0.306057  0.313179  0.641305  1
