# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.74783978
_cell_length_b   9.78001126
_cell_length_c   48.84031387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.87409028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al60 Ni100'
_cell_volume   4249.42502974
_cell_formula_units_Z   20
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  0.332773  0.844669  0.329574  1
  Al  Al2  1  0.428668  0.431590  0.293619  1
  Al  Al3  1  0.734746  0.216975  0.294092  1
  Al  Al4  1  0.607739  0.576790  0.334402  1
  Al  Al5  1  0.065736  0.096546  0.327683  1
  Al  Al6  1  0.922803  0.455359  0.372209  1
  Al  Al7  1  0.836695  0.835111  0.333661  1
  Al  Al8  1  0.691503  0.194704  0.375531  1
  Al  Al9  1  0.251114  0.241834  0.294795  1
  Al  Al10  1  0.109517  0.574548  0.334073  1
  Al  Al11  1  0.558323  0.102242  0.328959  1
  Al  Al12  1  0.423826  0.455478  0.373500  1
  Al  Al13  1  0.046010  0.554326  0.416117  1
  Al  Al14  1  0.189845  0.195131  0.375534  1
  Al  Al15  1  0.459321  0.938928  0.375511  1
  Al  Al16  1  0.313707  0.296043  0.418087  1
  Al  Al17  1  0.782199  0.809591  0.413495  1
  Al  Al18  1  0.636894  0.165855  0.456154  1
  Al  Al19  1  0.545979  0.554917  0.415762  1
  Al  Al20  1  0.403674  0.907991  0.457592  1
  Al  Al21  1  0.958608  0.939803  0.376408  1
  Al  Al22  1  0.814208  0.296455  0.417575  1
  Al  Al23  1  0.282329  0.809649  0.413385  1
  Al  Al24  1  0.136872  0.166049  0.455667  1
  Al  Al25  1  0.757503  0.265597  0.499334  1
  Al  Al26  1  0.903162  0.908530  0.458091  1
  Al  Al27  1  0.167474  0.653865  0.459952  1
  Al  Al28  1  0.024085  0.008282  0.501249  1
  Al  Al29  1  0.491335  0.521150  0.497719  1
  Al  Al30  1  0.345582  0.878109  0.539457  1
  Al  Al31  1  0.257490  0.265970  0.498951  1
  Al  Al32  1  0.111746  0.621109  0.541457  1
  Al  Al33  1  0.667733  0.653381  0.459396  1
  Al  Al34  1  0.524274  0.007680  0.501019  1
  Al  Al35  1  0.991183  0.521585  0.497358  1
  Al  Al36  1  0.845958  0.878108  0.539611  1
  Al  Al37  1  0.466254  0.979850  0.581687  1
  Al  Al38  1  0.612185  0.620206  0.541411  1
  Al  Al39  1  0.878425  0.364640  0.543091  1
  Al  Al40  1  0.734586  0.718803  0.584598  1
  Al  Al41  1  0.201625  0.233221  0.580264  1
  Al  Al42  1  0.055159  0.594659  0.622913  1
  Al  Al43  1  0.966937  0.978576  0.582747  1
  Al  Al44  1  0.824653  0.329865  0.625326  1
  Al  Al45  1  0.378156  0.365323  0.543171  1
  Al  Al46  1  0.234698  0.719342  0.585209  1
  Al  Al47  1  0.701539  0.232880  0.581318  1
  Al  Al48  1  0.555741  0.593975  0.623031  1
  Al  Al49  1  0.188903  0.695568  0.666541  1
  Al  Al50  1  0.324775  0.334915  0.623616  1
  Al  Al51  1  0.589150  0.077781  0.626676  1
  Al  Al52  1  0.447684  0.432274  0.671963  1
  Al  Al53  1  0.918122  0.943623  0.662260  1
  Al  Al54  1  0.740880  0.327194  0.705499  1
  Al  Al55  1  0.684144  0.705348  0.662778  1
  Al  Al56  1  0.549548  0.108145  0.707339  1
  Al  Al57  1  0.088215  0.076734  0.627782  1
  Al  Al58  1  0.950374  0.426498  0.668772  1
  Al  Al59  1  0.416370  0.951769  0.662356  1
  Al  Al60  1  0.245526  0.324794  0.704106  1
  Ni  Ni61  1  0.439813  0.970309  0.292716  1
  Ni  Ni62  1  0.332266  0.344280  0.333992  1
  Ni  Ni63  1  0.945668  0.694609  0.374071  1
  Ni  Ni64  1  0.081989  0.336827  0.333973  1
  Ni  Ni65  1  0.589362  0.835143  0.330838  1
  Ni  Ni66  1  0.441723  0.196952  0.374298  1
  Ni  Ni67  1  0.323741  0.087137  0.336209  1
  Ni  Ni68  1  0.477209  0.690701  0.293129  1
  Ni  Ni69  1  0.199048  0.951974  0.370899  1
  Ni  Ni70  1  0.346131  0.598845  0.331564  1
  Ni  Ni71  1  0.963951  0.972699  0.292998  1
  Ni  Ni72  1  0.831581  0.339379  0.331042  1
  Ni  Ni73  1  0.712622  0.954093  0.292465  1
  Ni  Ni74  1  0.583988  0.337427  0.334992  1
  Ni  Ni75  1  0.087729  0.832699  0.332938  1
  Ni  Ni76  1  0.942044  0.197384  0.372872  1
  Ni  Ni77  1  0.824271  0.080649  0.335817  1
  Ni  Ni78  1  0.973085  0.715663  0.294023  1
  Ni  Ni79  1  0.696455  0.954261  0.371907  1
  Ni  Ni80  1  0.849622  0.589628  0.328266  1
  Ni  Ni81  1  0.193267  0.695444  0.374741  1
  Ni  Ni82  1  0.048911  0.054778  0.414993  1
  Ni  Ni83  1  0.652309  0.409906  0.457589  1
  Ni  Ni84  1  0.798767  0.051668  0.416588  1
  Ni  Ni85  1  0.295772  0.552902  0.416790  1
  Ni  Ni86  1  0.153221  0.910196  0.457191  1
  Ni  Ni87  1  0.041469  0.797721  0.417963  1
  Ni  Ni88  1  0.184154  0.439526  0.376848  1
  Ni  Ni89  1  0.908005  0.665790  0.455828  1
  Ni  Ni90  1  0.052377  0.311074  0.414346  1
  Ni  Ni91  1  0.695200  0.697409  0.372984  1
  Ni  Ni92  1  0.548607  0.053771  0.415623  1
  Ni  Ni93  1  0.443509  0.699160  0.373037  1
  Ni  Ni94  1  0.299542  0.051318  0.416060  1
  Ni  Ni95  1  0.795960  0.554380  0.415695  1
  Ni  Ni96  1  0.653429  0.909608  0.457220  1
  Ni  Ni97  1  0.542115  0.797462  0.417159  1
  Ni  Ni98  1  0.685349  0.439586  0.376265  1
  Ni  Ni99  1  0.408287  0.665051  0.455908  1
  Ni  Ni100  1  0.553208  0.310208  0.414812  1
  Ni  Ni101  1  0.902025  0.409699  0.457646  1
  Ni  Ni102  1  0.757046  0.765811  0.499104  1
  Ni  Ni103  1  0.362751  0.122565  0.540311  1
  Ni  Ni104  1  0.507147  0.764460  0.499534  1
  Ni  Ni105  1  0.007658  0.264688  0.499460  1
  Ni  Ni106  1  0.862115  0.621950  0.540739  1
  Ni  Ni107  1  0.750609  0.509629  0.501183  1
  Ni  Ni108  1  0.897089  0.153044  0.459267  1
  Ni  Ni109  1  0.618911  0.376268  0.539631  1
  Ni  Ni110  1  0.764035  0.021289  0.497899  1
  Ni  Ni111  1  0.402340  0.408445  0.458278  1
  Ni  Ni112  1  0.256961  0.765709  0.499404  1
  Ni  Ni113  1  0.152211  0.410227  0.457572  1
  Ni  Ni114  1  0.006768  0.764827  0.499858  1
  Ni  Ni115  1  0.507642  0.263904  0.499901  1
  Ni  Ni116  1  0.362004  0.621278  0.541374  1
  Ni  Ni117  1  0.250490  0.509716  0.501468  1
  Ni  Ni118  1  0.397168  0.152092  0.459361  1
  Ni  Ni119  1  0.118895  0.377129  0.538945  1
  Ni  Ni120  1  0.264089  0.021239  0.497547  1
  Ni  Ni121  1  0.613240  0.119347  0.541612  1
  Ni  Ni122  1  0.467180  0.477176  0.583361  1
  Ni  Ni123  1  0.074604  0.834000  0.623976  1
  Ni  Ni124  1  0.216577  0.477942  0.582885  1
  Ni  Ni125  1  0.717471  0.974319  0.583744  1
  Ni  Ni126  1  0.571641  0.336636  0.625356  1
  Ni  Ni127  1  0.461899  0.221269  0.584478  1
  Ni  Ni128  1  0.606560  0.863895  0.542609  1
  Ni  Ni129  1  0.327869  0.092143  0.621622  1
  Ni  Ni130  1  0.472696  0.734356  0.581348  1
  Ni  Ni131  1  0.112886  0.119854  0.541466  1
  Ni  Ni132  1  0.967752  0.478084  0.582187  1
  Ni  Ni133  1  0.862492  0.121819  0.541069  1
  Ni  Ni134  1  0.717553  0.475737  0.583277  1
  Ni  Ni135  1  0.216763  0.975169  0.583936  1
  Ni  Ni136  1  0.074106  0.335987  0.623466  1
  Ni  Ni137  1  0.961344  0.221212  0.585053  1
  Ni  Ni138  1  0.106104  0.864648  0.543091  1
  Ni  Ni139  1  0.828026  0.089418  0.622720  1
  Ni  Ni140  1  0.973059  0.734492  0.581399  1
  Ni  Ni141  1  0.321995  0.831564  0.626729  1
  Ni  Ni142  1  0.176697  0.193435  0.665024  1
  Ni  Ni143  1  0.783954  0.576170  0.704393  1
  Ni  Ni144  1  0.926655  0.186859  0.668727  1
  Ni  Ni145  1  0.438309  0.693877  0.669663  1
  Ni  Ni146  1  0.306900  0.053058  0.705645  1
  Ni  Ni147  1  0.171379  0.942182  0.672021  1
  Ni  Ni148  1  0.319394  0.576037  0.627302  1
  Ni  Ni149  1  0.034711  0.813094  0.704860  1
  Ni  Ni150  1  0.184731  0.452626  0.662198  1
  Ni  Ni151  1  0.822255  0.828388  0.626206  1
  Ni  Ni152  1  0.676052  0.194643  0.666259  1
  Ni  Ni153  1  0.570674  0.838988  0.622553  1
  Ni  Ni154  1  0.423141  0.195521  0.664962  1
  Ni  Ni155  1  0.934117  0.685839  0.669516  1
  Ni  Ni156  1  0.819254  0.053745  0.705465  1
  Ni  Ni157  1  0.675864  0.944385  0.669464  1
  Ni  Ni158  1  0.820693  0.571777  0.625887  1
  Ni  Ni159  1  0.558192  0.832078  0.704163  1
  Ni  Ni160  1  0.685056  0.456506  0.663613  1
