# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.13746941
_cell_length_b   11.13766792
_cell_length_c   48.05751619
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi3
_chemical_formula_sum   'Al63 Ni189'
_cell_volume   5931.43406631
_cell_formula_units_Z   63
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  0.063336  0.396811  0.321403  1
  Al  Al2  1  0.396669  0.063478  0.321403  1
  Al  Al3  1  0.459707  0.459844  0.277918  1
  Al  Al4  1  0.730003  0.730144  0.321403  1
  Al  Al5  1  0.793040  0.126510  0.277918  1
  Al  Al6  1  0.759188  0.425997  0.299453  1
  Al  Al7  1  0.126374  0.793177  0.277918  1
  Al  Al8  1  0.092521  0.092664  0.299453  1
  Al  Al9  1  0.425855  0.759330  0.299453  1
  Al  Al10  1  0.972501  0.305979  0.387583  1
  Al  Al11  1  0.305835  0.972646  0.387583  1
  Al  Al12  1  0.366403  0.366545  0.342884  1
  Al  Al13  1  0.639168  0.639313  0.387583  1
  Al  Al14  1  0.699736  0.033212  0.342884  1
  Al  Al15  1  0.669520  0.336330  0.365323  1
  Al  Al16  1  0.033069  0.699879  0.342884  1
  Al  Al17  1  0.002854  0.002997  0.365323  1
  Al  Al18  1  0.336187  0.669664  0.365323  1
  Al  Al19  1  0.880713  0.214193  0.454274  1
  Al  Al20  1  0.214046  0.880860  0.454274  1
  Al  Al21  1  0.275239  0.275384  0.409790  1
  Al  Al22  1  0.547379  0.547527  0.454274  1
  Al  Al23  1  0.608572  0.942051  0.409790  1
  Al  Al24  1  0.577908  0.244721  0.431960  1
  Al  Al25  1  0.941905  0.608717  0.409790  1
  Al  Al26  1  0.911241  0.911387  0.431960  1
  Al  Al27  1  0.244574  0.578054  0.431960  1
  Al  Al28  1  0.789036  0.122520  0.520973  1
  Al  Al29  1  0.122370  0.789186  0.520973  1
  Al  Al30  1  0.183523  0.183671  0.476542  1
  Al  Al31  1  0.455703  0.455853  0.520973  1
  Al  Al32  1  0.516856  0.850337  0.476542  1
  Al  Al33  1  0.486279  0.153095  0.498757  1
  Al  Al34  1  0.850189  0.517004  0.476542  1
  Al  Al35  1  0.819613  0.819762  0.498757  1
  Al  Al36  1  0.152946  0.486429  0.498757  1
  Al  Al37  1  0.697320  0.030806  0.587724  1
  Al  Al38  1  0.030654  0.697473  0.587724  1
  Al  Al39  1  0.091846  0.091997  0.543240  1
  Al  Al40  1  0.363987  0.364140  0.587724  1
  Al  Al41  1  0.425180  0.758664  0.543240  1
  Al  Al42  1  0.394651  0.061470  0.565555  1
  Al  Al43  1  0.758513  0.425330  0.543240  1
  Al  Al44  1  0.727985  0.728136  0.565555  1
  Al  Al45  1  0.061318  0.394803  0.565555  1
  Al  Al46  1  0.606156  0.939645  0.654631  1
  Al  Al47  1  0.939489  0.606312  0.654631  1
  Al  Al48  1  1.000058  1.000211  0.609931  1
  Al  Al49  1  0.272823  0.272978  0.654631  1
  Al  Al50  1  0.333391  0.666878  0.609931  1
  Al  Al51  1  0.303039  0.969860  0.632192  1
  Al  Al52  1  0.666724  0.333544  0.609931  1
  Al  Al53  1  0.636372  0.636527  0.632192  1
  Al  Al54  1  0.969705  0.303193  0.632192  1
  Al  Al55  1  0.512852  0.846347  0.719596  1
  Al  Al56  1  0.846185  0.513013  0.719596  1
  Al  Al57  1  0.909223  0.909379  0.676112  1
  Al  Al58  1  0.179518  0.179680  0.719596  1
  Al  Al59  1  0.242556  0.576046  0.676112  1
  Al  Al60  1  0.213371  0.880193  0.698062  1
  Al  Al61  1  0.575889  0.242713  0.676112  1
  Al  Al62  1  0.546704  0.546860  0.698062  1
  Al  Al63  1  0.880038  0.213527  0.698062  1
  Ni  Ni64  1  0.956467  0.456950  0.276194  1
  Ni  Ni65  1  0.289801  0.123617  0.276194  1
  Ni  Ni66  1  0.259559  0.426411  0.297887  1
  Ni  Ni67  1  0.623134  0.790283  0.276194  1
  Ni  Ni68  1  0.592892  0.093078  0.297887  1
  Ni  Ni69  1  0.563494  0.396523  0.321359  1
  Ni  Ni70  1  0.926225  0.759745  0.297887  1
  Ni  Ni71  1  0.896827  0.063189  0.321359  1
  Ni  Ni72  1  0.230161  0.729856  0.321359  1
  Ni  Ni73  1  0.123477  0.289940  0.276194  1
  Ni  Ni74  1  0.456811  0.956607  0.276194  1
  Ni  Ni75  1  0.426270  0.259700  0.297887  1
  Ni  Ni76  1  0.790144  0.623274  0.276194  1
  Ni  Ni77  1  0.759604  0.926366  0.297887  1
  Ni  Ni78  1  0.729715  0.230302  0.321359  1
  Ni  Ni79  1  0.092937  0.593033  0.297887  1
  Ni  Ni80  1  0.063048  0.896968  0.321359  1
  Ni  Ni81  1  0.396382  0.563635  0.321359  1
  Ni  Ni82  1  0.927780  0.261255  0.298436  1
  Ni  Ni83  1  0.261113  0.927922  0.298436  1
  Ni  Ni84  1  0.230323  0.230465  0.320781  1
  Ni  Ni85  1  0.594446  0.594589  0.298436  1
  Ni  Ni86  1  0.563656  0.897131  0.320781  1
  Ni  Ni87  1  0.624991  0.291794  0.276153  1
  Ni  Ni88  1  0.896990  0.563798  0.320781  1
  Ni  Ni89  1  0.958324  0.958461  0.276153  1
  Ni  Ni90  1  0.291657  0.625128  0.276153  1
  Ni  Ni91  1  0.866800  0.366764  0.343209  1
  Ni  Ni92  1  0.200133  0.033430  0.343209  1
  Ni  Ni93  1  0.169725  0.336211  0.365354  1
  Ni  Ni94  1  0.533466  0.700097  0.343209  1
  Ni  Ni95  1  0.503059  0.002878  0.365354  1
  Ni  Ni96  1  0.472375  0.305750  0.387384  1
  Ni  Ni97  1  0.836392  0.669545  0.365354  1
  Ni  Ni98  1  0.805709  0.972416  0.387384  1
  Ni  Ni99  1  0.139042  0.639083  0.387384  1
  Ni  Ni100  1  0.033287  0.200276  0.343209  1
  Ni  Ni101  1  0.366621  0.866943  0.343209  1
  Ni  Ni102  1  0.336068  0.169869  0.365354  1
  Ni  Ni103  1  0.699954  0.533610  0.343209  1
  Ni  Ni104  1  0.669401  0.836535  0.365354  1
  Ni  Ni105  1  0.638939  0.139187  0.387384  1
  Ni  Ni106  1  0.002734  0.503202  0.365354  1
  Ni  Ni107  1  0.972272  0.805853  0.387384  1
  Ni  Ni108  1  0.305605  0.472520  0.387384  1
  Ni  Ni109  1  0.836236  0.169713  0.365478  1
  Ni  Ni110  1  0.169569  0.836379  0.365478  1
  Ni  Ni111  1  0.139023  0.139168  0.387630  1
  Ni  Ni112  1  0.502903  0.503046  0.365478  1
  Ni  Ni113  1  0.472356  0.805834  0.387630  1
  Ni  Ni114  1  0.532627  0.199436  0.342737  1
  Ni  Ni115  1  0.805690  0.472501  0.387630  1
  Ni  Ni116  1  0.865960  0.866103  0.342737  1
  Ni  Ni117  1  0.199293  0.532769  0.342737  1
  Ni  Ni118  1  0.775124  0.275317  0.409809  1
  Ni  Ni119  1  0.108457  0.941984  0.409809  1
  Ni  Ni120  1  0.077974  0.244809  0.432061  1
  Ni  Ni121  1  0.441790  0.608651  0.409809  1
  Ni  Ni122  1  0.411308  0.911476  0.432061  1
  Ni  Ni123  1  0.380742  0.214227  0.454276  1
  Ni  Ni124  1  0.744641  0.578142  0.432061  1
  Ni  Ni125  1  0.714075  0.880893  0.454276  1
  Ni  Ni126  1  0.047409  0.547560  0.454276  1
  Ni  Ni127  1  0.941839  0.108602  0.409809  1
  Ni  Ni128  1  0.275172  0.775269  0.409809  1
  Ni  Ni129  1  0.244663  0.078121  0.432061  1
  Ni  Ni130  1  0.608505  0.441936  0.409809  1
  Ni  Ni131  1  0.577996  0.744787  0.432061  1
  Ni  Ni132  1  0.547413  0.047556  0.454276  1
  Ni  Ni133  1  0.911330  0.411454  0.432061  1
  Ni  Ni134  1  0.880746  0.714222  0.454276  1
  Ni  Ni135  1  0.214079  0.380889  0.454276  1
  Ni  Ni136  1  0.744559  0.078039  0.431951  1
  Ni  Ni137  1  0.077893  0.744706  0.431951  1
  Ni  Ni138  1  0.047395  0.047542  0.454276  1
  Ni  Ni139  1  0.411226  0.411372  0.431951  1
  Ni  Ni140  1  0.380728  0.714209  0.454276  1
  Ni  Ni141  1  0.441907  0.108719  0.409797  1
  Ni  Ni142  1  0.714062  0.380876  0.454276  1
  Ni  Ni143  1  0.775240  0.775385  0.409797  1
  Ni  Ni144  1  0.108573  0.442052  0.409797  1
  Ni  Ni145  1  0.683491  0.183635  0.476476  1
  Ni  Ni146  1  0.016824  0.850301  0.476476  1
  Ni  Ni147  1  0.986279  0.153095  0.498757  1
  Ni  Ni148  1  0.350158  0.516968  0.476476  1
  Ni  Ni149  1  0.319613  0.819762  0.498757  1
  Ni  Ni150  1  0.289068  0.122556  0.521039  1
  Ni  Ni151  1  0.652946  0.486429  0.498757  1
  Ni  Ni152  1  0.622401  0.789222  0.521039  1
  Ni  Ni153  1  0.955735  0.455889  0.521039  1
  Ni  Ni154  1  0.850153  0.016972  0.476476  1
  Ni  Ni155  1  0.183486  0.683639  0.476476  1
  Ni  Ni156  1  0.152946  0.986429  0.498757  1
  Ni  Ni157  1  0.516820  0.350306  0.476476  1
  Ni  Ni158  1  0.486279  0.653095  0.498757  1
  Ni  Ni159  1  0.455739  0.955885  0.521039  1
  Ni  Ni160  1  0.819613  0.319762  0.498757  1
  Ni  Ni161  1  0.789072  0.622551  0.521039  1
  Ni  Ni162  1  0.122406  0.289218  0.521039  1
  Ni  Ni163  1  0.652946  0.986429  0.498757  1
  Ni  Ni164  1  0.986279  0.653095  0.498757  1
  Ni  Ni165  1  0.955698  0.955848  0.520972  1
  Ni  Ni166  1  0.319613  0.319762  0.498757  1
  Ni  Ni167  1  0.289031  0.622514  0.520972  1
  Ni  Ni168  1  0.350194  0.017009  0.476543  1
  Ni  Ni169  1  0.622364  0.289181  0.520972  1
  Ni  Ni170  1  0.683528  0.683676  0.476543  1
  Ni  Ni171  1  0.016861  0.350343  0.476543  1
  Ni  Ni172  1  0.591817  0.091964  0.543239  1
  Ni  Ni173  1  0.925150  0.758630  0.543239  1
  Ni  Ni174  1  0.894585  0.061381  0.565454  1
  Ni  Ni175  1  0.258484  0.425297  0.543239  1
  Ni  Ni176  1  0.227918  0.728048  0.565454  1
  Ni  Ni177  1  0.197435  0.030873  0.587706  1
  Ni  Ni178  1  0.561251  0.394715  0.565454  1
  Ni  Ni179  1  0.530769  0.697540  0.587706  1
  Ni  Ni180  1  0.864102  0.364206  0.587706  1
  Ni  Ni181  1  0.758479  0.925301  0.543239  1
  Ni  Ni182  1  0.091813  0.591968  0.543239  1
  Ni  Ni183  1  0.061229  0.894736  0.565454  1
  Ni  Ni184  1  0.425146  0.258635  0.543239  1
  Ni  Ni185  1  0.394563  0.561403  0.565454  1
  Ni  Ni186  1  0.364053  0.864255  0.587706  1
  Ni  Ni187  1  0.727896  0.228070  0.565454  1
  Ni  Ni188  1  0.697387  0.530921  0.587706  1
  Ni  Ni189  1  0.030720  0.197588  0.587706  1
  Ni  Ni190  1  0.561333  0.894818  0.565564  1
  Ni  Ni191  1  0.894666  0.561485  0.565564  1
  Ni  Ni192  1  0.863985  0.864138  0.587718  1
  Ni  Ni193  1  0.228000  0.228151  0.565564  1
  Ni  Ni194  1  0.197319  0.530805  0.587718  1
  Ni  Ni195  1  0.258497  0.925315  0.543239  1
  Ni  Ni196  1  0.530652  0.197472  0.587718  1
  Ni  Ni197  1  0.591830  0.591981  0.543239  1
  Ni  Ni198  1  0.925164  0.258648  0.543239  1
  Ni  Ni199  1  0.500183  1.000441  0.610130  1
  Ni  Ni200  1  0.833517  0.667107  0.610130  1
  Ni  Ni201  1  0.802833  0.969979  0.632161  1
  Ni  Ni202  1  0.166850  0.333774  0.610130  1
  Ni  Ni203  1  0.136167  0.636646  0.632161  1
  Ni  Ni204  1  0.105759  0.939427  0.654305  1
  Ni  Ni205  1  0.469500  0.303312  0.632161  1
  Ni  Ni206  1  0.439092  0.606093  0.654305  1
  Ni  Ni207  1  0.772426  0.272760  0.654305  1
  Ni  Ni208  1  0.666954  0.833670  0.610130  1
  Ni  Ni209  1  1.000287  0.500337  0.610130  1
  Ni  Ni210  1  0.969824  0.802988  0.632161  1
  Ni  Ni211  1  0.333620  0.167004  0.610130  1
  Ni  Ni212  1  0.303158  0.469655  0.632161  1
  Ni  Ni213  1  0.272605  0.772581  0.654305  1
  Ni  Ni214  1  0.636491  0.136322  0.632161  1
  Ni  Ni215  1  0.605938  0.439247  0.654305  1
  Ni  Ni216  1  0.939272  0.105914  0.654305  1
  Ni  Ni217  1  0.469656  0.803144  0.632037  1
  Ni  Ni218  1  0.802990  0.469811  0.632037  1
  Ni  Ni219  1  0.773266  0.773421  0.654778  1
  Ni  Ni220  1  0.136323  0.136478  0.632037  1
  Ni  Ni221  1  0.106599  0.440088  0.654778  1
  Ni  Ni222  1  0.166869  0.833689  0.609885  1
  Ni  Ni223  1  0.439932  0.106754  0.654778  1
  Ni  Ni224  1  0.500202  0.500356  0.609885  1
  Ni  Ni225  1  0.833536  0.167023  0.609885  1
  Ni  Ni226  1  0.409065  0.909668  0.676156  1
  Ni  Ni227  1  0.742398  0.576334  0.676156  1
  Ni  Ni228  1  0.713000  0.879779  0.699628  1
  Ni  Ni229  1  0.075732  0.243001  0.676156  1
  Ni  Ni230  1  0.046333  0.546446  0.699628  1
  Ni  Ni231  1  0.016092  0.849240  0.721321  1
  Ni  Ni232  1  0.379667  0.213112  0.699628  1
  Ni  Ni233  1  0.349425  0.515907  0.721321  1
  Ni  Ni234  1  0.682758  0.182574  0.721321  1
  Ni  Ni235  1  0.576177  0.742555  0.676156  1
  Ni  Ni236  1  0.909511  0.409222  0.676156  1
  Ni  Ni237  1  0.879622  0.713157  0.699628  1
  Ni  Ni238  1  0.242844  0.075889  0.676156  1
  Ni  Ni239  1  0.212955  0.379824  0.699628  1
  Ni  Ni240  1  0.182415  0.682917  0.721321  1
  Ni  Ni241  1  0.546288  0.046491  0.699628  1
  Ni  Ni242  1  0.515748  0.349583  0.721321  1
  Ni  Ni243  1  0.849081  0.016250  0.721321  1
  Ni  Ni244  1  0.378112  0.711602  0.699079  1
  Ni  Ni245  1  0.711446  0.378268  0.699079  1
  Ni  Ni246  1  0.680902  0.681063  0.721362  1
  Ni  Ni247  1  0.044779  0.044935  0.699079  1
  Ni  Ni248  1  0.014235  0.347729  0.721362  1
  Ni  Ni249  1  0.075569  0.742392  0.676733  1
  Ni  Ni250  1  0.347568  0.014396  0.721362  1
  Ni  Ni251  1  0.408903  0.409059  0.676733  1
  Ni  Ni252  1  0.742236  0.075726  0.676733  1
