# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.10589095
_cell_length_b   9.19842482
_cell_length_c   51.55475699
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.71010492
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al144 Ni48'
_cell_volume   6094.84178202
_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  0.602221  0.169586  0.320311  1
  Al  Al2  1  0.148156  0.322178  0.278704  1
  Al  Al3  1  0.730244  0.486865  0.299809  1
  Al  Al4  1  0.165753  0.333058  0.334284  1
  Al  Al5  1  0.658495  0.887151  0.341736  1
  Al  Al6  1  0.209235  0.020657  0.299224  1
  Al  Al7  1  0.823064  0.654615  0.268399  1
  Al  Al8  1  0.275789  0.501453  0.303902  1
  Al  Al9  1  0.954814  0.447028  0.299265  1
  Al  Al10  1  0.409620  0.318317  0.337418  1
  Al  Al11  1  0.017794  0.931308  0.303428  1
  Al  Al12  1  0.610875  0.036840  0.269279  1
  Al  Al13  1  0.998816  0.153372  0.267056  1
  Al  Al14  1  0.446683  0.009766  0.304457  1
  Al  Al15  1  0.060117  0.632687  0.272748  1
  Al  Al16  1  0.528227  0.487640  0.310436  1
  Al  Al17  1  0.779955  0.945761  0.300306  1
  Al  Al18  1  0.231025  0.812226  0.339251  1
  Al  Al19  1  0.853867  0.201012  0.310268  1
  Al  Al20  1  0.459582  0.285098  0.281227  1
  Al  Al21  1  0.079030  0.632295  0.329689  1
  Al  Al22  1  0.607265  0.760299  0.293948  1
  Al  Al23  1  0.821753  0.623774  0.337166  1
  Al  Al24  1  0.377493  0.743893  0.295582  1
  Al  Al25  1  0.506373  0.922946  0.392928  1
  Al  Al26  1  0.058527  0.051578  0.353197  1
  Al  Al27  1  0.614030  0.193485  0.374014  1
  Al  Al28  1  0.066506  0.071935  0.411986  1
  Al  Al29  1  0.555947  0.627105  0.418689  1
  Al  Al30  1  0.109639  0.756951  0.378709  1
  Al  Al31  1  0.718167  0.366597  0.346826  1
  Al  Al32  1  0.170414  0.241477  0.384180  1
  Al  Al33  1  0.862284  0.188144  0.376530  1
  Al  Al34  1  0.308595  0.059303  0.414725  1
  Al  Al35  1  0.924441  0.671429  0.382444  1
  Al  Al36  1  0.471514  0.801207  0.342739  1
  Al  Al37  1  0.904544  0.877948  0.344649  1
  Al  Al38  1  0.352197  0.747771  0.382162  1
  Al  Al39  1  0.964618  0.359119  0.349078  1
  Al  Al40  1  0.412382  0.230354  0.387516  1
  Al  Al41  1  0.677974  0.681340  0.380110  1
  Al  Al42  1  0.126911  0.553645  0.416819  1
  Al  Al43  1  0.761760  0.936951  0.389367  1
  Al  Al44  1  0.304432  0.069073  0.348431  1
  Al  Al45  1  0.975184  0.375336  0.407337  1
  Al  Al46  1  0.521286  0.501561  0.368853  1
  Al  Al47  1  0.718777  0.361270  0.411524  1
  Al  Al48  1  0.270945  0.491964  0.371797  1
  Al  Al49  1  0.405918  0.667091  0.469529  1
  Al  Al50  1  0.955961  0.797101  0.431219  1
  Al  Al51  1  0.513347  0.939920  0.450979  1
  Al  Al52  1  0.964101  0.812923  0.489249  1
  Al  Al53  1  0.456082  0.369722  0.495554  1
  Al  Al54  1  1.007269  0.499819  0.456678  1
  Al  Al55  1  0.618734  0.111410  0.424048  1
  Al  Al56  1  0.069263  0.983690  0.461960  1
  Al  Al57  1  0.760005  0.930431  0.453755  1
  Al  Al58  1  0.208722  0.801846  0.491940  1
  Al  Al59  1  0.821936  0.413527  0.459044  1
  Al  Al60  1  0.370615  0.543037  0.419843  1
  Al  Al61  1  0.802981  0.618666  0.421666  1
  Al  Al62  1  0.251217  0.491651  0.459607  1
  Al  Al63  1  0.865201  0.101475  0.426401  1
  Al  Al64  1  0.312993  0.972651  0.464730  1
  Al  Al65  1  0.576175  0.420699  0.456008  1
  Al  Al66  1  0.026055  0.294596  0.494385  1
  Al  Al67  1  0.658894  0.678925  0.466070  1
  Al  Al68  1  0.208346  0.809733  0.426641  1
  Al  Al69  1  0.872895  0.117729  0.484525  1
  Al  Al70  1  0.420419  0.245828  0.446057  1
  Al  Al71  1  0.618457  0.103985  0.488619  1
  Al  Al72  1  0.169802  0.234156  0.449908  1
  Al  Al73  1  0.306425  0.410189  0.546825  1
  Al  Al74  1  0.853948  0.538288  0.508357  1
  Al  Al75  1  0.413851  0.683366  0.528152  1
  Al  Al76  1  0.861642  0.554542  0.566481  1
  Al  Al77  1  0.356229  0.112980  0.573039  1
  Al  Al78  1  0.904908  0.242490  0.533838  1
  Al  Al79  1  0.518122  0.854171  0.500942  1
  Al  Al80  1  0.966838  0.725586  0.539127  1
  Al  Al81  1  0.657581  0.672327  0.530922  1
  Al  Al82  1  0.108109  0.544607  0.568834  1
  Al  Al83  1  0.719574  0.156198  0.536204  1
  Al  Al84  1  0.270762  0.286295  0.497328  1
  Al  Al85  1  0.700789  0.361421  0.498497  1
  Al  Al86  1  0.150669  0.235318  0.536874  1
  Al  Al87  1  0.762743  0.843094  0.503633  1
  Al  Al88  1  0.213497  0.716097  0.541902  1
  Al  Al89  1  0.475627  0.164366  0.533275  1
  Al  Al90  1  0.923863  0.037351  0.571216  1
  Al  Al91  1  0.557042  0.421861  0.542974  1
  Al  Al92  1  0.108387  0.552032  0.504263  1
  Al  Al93  1  0.770883  0.858916  0.561663  1
  Al  Al94  1  0.320925  0.988926  0.523353  1
  Al  Al95  1  0.518498  0.846284  0.566241  1
  Al  Al96  1  0.067950  0.977092  0.526812  1
  Al  Al97  1  0.205558  0.154456  0.624029  1
  Al  Al98  1  0.751659  0.280681  0.585545  1
  Al  Al99  1  0.314461  0.425663  0.605366  1
  Al  Al100  1  0.762226  0.296898  0.643804  1
  Al  Al101  1  0.255330  0.854810  0.650143  1
  Al  Al102  1  0.802403  0.984588  0.610438  1
  Al  Al103  1  0.418248  0.596714  0.578157  1
  Al  Al104  1  0.864560  0.467873  0.616352  1
  Al  Al105  1  0.556429  0.414540  0.608702  1
  Al  Al106  1  1.008677  0.289420  0.646056  1
  Al  Al107  1  0.617205  0.899066  0.614173  1
  Al  Al108  1  0.170897  0.028912  0.574193  1
  Al  Al109  1  0.599933  0.102372  0.576063  1
  Al  Al110  1  0.048870  0.974677  0.612772  1
  Al  Al111  1  0.660337  0.584082  0.580896  1
  Al  Al112  1  0.112813  0.462532  0.618868  1
  Al  Al113  1  0.374647  0.908246  0.610719  1
  Al  Al114  1  0.822299  0.778069  0.648233  1
  Al  Al115  1  0.455899  0.164053  0.621085  1
  Al  Al116  1  1.008066  0.294747  0.581358  1
  Al  Al117  1  0.668317  0.604439  0.639685  1
  Al  Al118  1  0.220471  0.733071  0.599954  1
  Al  Al119  1  0.422412  0.586944  0.644451  1
  Al  Al120  1  0.965084  0.719066  0.603515  1
  Al  Al121  1  0.119579  0.895718  0.698934  1
  Al  Al122  1  0.647813  0.023722  0.663193  1
  Al  Al123  1  0.198616  0.168377  0.682446  1
  Al  Al124  1  0.666726  0.023330  0.720134  1
  Al  Al125  1  0.115969  0.619177  0.723603  1
  Al  Al126  1  0.709050  0.724709  0.689454  1
  Al  Al127  1  0.317224  0.337700  0.655464  1
  Al  Al128  1  0.772030  0.208989  0.693617  1
  Al  Al129  1  0.451054  0.154564  0.688980  1
  Al  Al130  1  0.903780  0.001402  0.724483  1
  Al  Al131  1  0.517608  0.635360  0.693657  1
  Al  Al132  1  0.068349  0.768866  0.651146  1
  Al  Al133  1  0.495819  0.843791  0.653631  1
  Al  Al134  1  0.946889  0.710256  0.692575  1
  Al  Al135  1  0.561090  0.322959  0.658598  1
  Al  Al136  1  0.996599  0.169152  0.693073  1
  Al  Al137  1  0.280161  0.646251  0.688425  1
  Al  Al138  1  0.728028  0.502645  0.725826  1
  Al  Al139  1  0.349351  0.912124  0.697300  1
  Al  Al140  1  0.905091  0.032243  0.655716  1
  Al  Al141  1  0.578688  0.333839  0.714178  1
  Al  Al142  1  0.124623  0.486431  0.672571  1
  Al  Al143  1  0.267262  0.370919  0.711655  1
  Al  Al144  1  0.872977  0.455005  0.682613  1
  Ni  Ni145  1  0.046495  0.194833  0.312488  1
  Ni  Ni146  1  0.674543  0.267725  0.283536  1
  Ni  Ni147  1  0.839063  0.353866  0.266910  1
  Ni  Ni148  1  0.304212  0.222202  0.304889  1
  Ni  Ni149  1  0.633770  0.622682  0.336564  1
  Ni  Ni150  1  0.183844  0.757426  0.295226  1
  Ni  Ni151  1  0.921988  0.725618  0.304543  1
  Ni  Ni152  1  0.376310  0.598096  0.338853  1
  Ni  Ni153  1  0.950717  0.937040  0.389067  1
  Ni  Ni154  1  0.491638  0.061223  0.351151  1
  Ni  Ni155  1  0.760051  0.084534  0.344839  1
  Ni  Ni156  1  0.205556  0.958378  0.382168  1
  Ni  Ni157  1  0.530325  0.361718  0.411089  1
  Ni  Ni158  1  0.082705  0.492997  0.371858  1
  Ni  Ni159  1  0.824884  0.469871  0.379198  1
  Ni  Ni160  1  0.273195  0.343007  0.416858  1
  Ni  Ni161  1  0.847238  0.678988  0.466300  1
  Ni  Ni162  1  0.396248  0.807836  0.427350  1
  Ni  Ni163  1  0.654545  0.828139  0.421952  1
  Ni  Ni164  1  0.104266  0.700842  0.459657  1
  Ni  Ni165  1  0.429922  0.105006  0.488312  1
  Ni  Ni166  1  0.981848  0.234950  0.449474  1
  Ni  Ni167  1  0.724510  0.212863  0.455973  1
  Ni  Ni168  1  0.173775  0.085346  0.494301  1
  Ni  Ni169  1  0.744996  0.421067  0.543408  1
  Ni  Ni170  1  0.296922  0.551011  0.504570  1
  Ni  Ni171  1  0.553069  0.570671  0.498581  1
  Ni  Ni172  1  1.002333  0.443154  0.536909  1
  Ni  Ni173  1  0.330595  0.848181  0.565532  1
  Ni  Ni174  1  0.879606  0.977029  0.526581  1
  Ni  Ni175  1  0.622578  0.955175  0.533225  1
  Ni  Ni176  1  0.072299  0.827878  0.570930  1
  Ni  Ni177  1  0.644139  0.163020  0.621024  1
  Ni  Ni178  1  0.196519  0.294299  0.581793  1
  Ni  Ni179  1  0.453649  0.313010  0.576024  1
  Ni  Ni180  1  0.901960  0.186146  0.613684  1
  Ni  Ni181  1  0.235205  0.594794  0.641731  1
  Ni  Ni182  1  0.776127  0.718977  0.603815  1
  Ni  Ni183  1  0.521288  0.697639  0.610714  1
  Ni  Ni184  1  0.966793  0.571483  0.648043  1
  Ni  Ni185  1  0.543000  0.898591  0.697656  1
  Ni  Ni186  1  0.093074  0.033335  0.656318  1
  Ni  Ni187  1  0.350533  0.057921  0.654029  1
  Ni  Ni188  1  0.804856  0.930399  0.688339  1
  Ni  Ni189  1  0.052301  0.388292  0.709346  1
  Ni  Ni190  1  0.680349  0.461184  0.680394  1
  Ni  Ni191  1  0.422631  0.433815  0.687993  1
  Ni  Ni192  1  0.887781  0.302151  0.725972  1
