# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.00083457
_cell_length_b   10.16525438
_cell_length_c   47.16916324
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al72 Ni72'
_cell_volume   3528.87585788
_cell_formula_units_Z   72
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  0.272909  0.125168  0.299459  1
  Al  Al2  1  0.772909  0.125168  0.299459  1
  Al  Al3  1  0.710420  0.500088  0.285480  1
  Al  Al4  1  0.133360  0.845559  0.273715  1
  Al  Al5  1  0.210420  0.500088  0.285480  1
  Al  Al6  1  0.633360  0.845559  0.273715  1
  Al  Al7  1  0.978591  0.036952  0.338997  1
  Al  Al8  1  0.478591  0.036952  0.338997  1
  Al  Al9  1  0.408739  0.397057  0.327152  1
  Al  Al10  1  0.841107  0.761641  0.312743  1
  Al  Al11  1  0.908739  0.397057  0.327152  1
  Al  Al12  1  0.341107  0.761641  0.312743  1
  Al  Al13  1  0.681378  0.943067  0.377302  1
  Al  Al14  1  0.181378  0.943067  0.377302  1
  Al  Al15  1  0.113576  0.307270  0.364197  1
  Al  Al16  1  0.545724  0.671371  0.352528  1
  Al  Al17  1  0.613576  0.307270  0.364197  1
  Al  Al18  1  0.045724  0.671371  0.352528  1
  Al  Al19  1  0.385634  0.852192  0.415761  1
  Al  Al20  1  0.885634  0.852192  0.415761  1
  Al  Al21  1  0.817277  0.215256  0.403009  1
  Al  Al22  1  0.249703  0.579931  0.390104  1
  Al  Al23  1  0.317277  0.215256  0.403009  1
  Al  Al24  1  0.749703  0.579931  0.390104  1
  Al  Al25  1  0.089525  0.760542  0.454466  1
  Al  Al26  1  0.589525  0.760542  0.454466  1
  Al  Al27  1  0.521518  0.124342  0.441422  1
  Al  Al28  1  0.953431  0.487956  0.428842  1
  Al  Al29  1  0.021518  0.124342  0.441422  1
  Al  Al30  1  0.453431  0.487956  0.428842  1
  Al  Al31  1  0.793532  0.669153  0.492800  1
  Al  Al32  1  0.293532  0.669153  0.492800  1
  Al  Al33  1  0.225406  0.032700  0.479984  1
  Al  Al34  1  0.657500  0.396696  0.467062  1
  Al  Al35  1  0.725406  0.032700  0.479984  1
  Al  Al36  1  0.157500  0.396696  0.467062  1
  Al  Al37  1  0.497407  0.577489  0.531366  1
  Al  Al38  1  0.997407  0.577489  0.531366  1
  Al  Al39  1  0.929501  0.941485  0.518444  1
  Al  Al40  1  0.361376  0.305033  0.505628  1
  Al  Al41  1  0.429501  0.941485  0.518444  1
  Al  Al42  1  0.861376  0.305033  0.505628  1
  Al  Al43  1  0.201476  0.486230  0.569586  1
  Al  Al44  1  0.701476  0.486230  0.569586  1
  Al  Al45  1  0.633390  0.849844  0.557007  1
  Al  Al46  1  0.065382  0.213643  0.543962  1
  Al  Al47  1  0.133390  0.849844  0.557007  1
  Al  Al48  1  0.565382  0.213643  0.543962  1
  Al  Al49  1  0.905204  0.394254  0.608324  1
  Al  Al50  1  0.405204  0.394254  0.608324  1
  Al  Al51  1  0.337631  0.758929  0.595419  1
  Al  Al52  1  0.769273  0.121994  0.582667  1
  Al  Al53  1  0.837631  0.758929  0.595419  1
  Al  Al54  1  0.269273  0.121994  0.582667  1
  Al  Al55  1  0.609184  0.302815  0.645900  1
  Al  Al56  1  0.109184  0.302815  0.645900  1
  Al  Al57  1  0.041331  0.666915  0.634231  1
  Al  Al58  1  0.473529  0.031119  0.621126  1
  Al  Al59  1  0.541331  0.666915  0.634231  1
  Al  Al60  1  0.973529  0.031119  0.621126  1
  Al  Al61  1  0.313800  0.212545  0.685685  1
  Al  Al62  1  0.813800  0.212545  0.685685  1
  Al  Al63  1  0.746168  0.577129  0.671277  1
  Al  Al64  1  0.176317  0.937234  0.659431  1
  Al  Al65  1  0.246168  0.577129  0.671277  1
  Al  Al66  1  0.676317  0.937234  0.659431  1
  Al  Al67  1  0.021548  0.128627  0.724713  1
  Al  Al68  1  0.521548  0.128627  0.724713  1
  Al  Al69  1  0.444487  0.474098  0.712948  1
  Al  Al70  1  0.881999  0.849018  0.698969  1
  Al  Al71  1  0.944487  0.474098  0.712948  1
  Al  Al72  1  0.381999  0.849018  0.698969  1
  Ni  Ni73  1  0.956322  0.991733  0.288605  1
  Ni  Ni74  1  0.456322  0.991733  0.288605  1
  Ni  Ni75  1  0.388874  0.356651  0.277093  1
  Ni  Ni76  1  0.521707  0.622785  0.302320  1
  Ni  Ni77  1  0.888874  0.356651  0.277093  1
  Ni  Ni78  1  0.021707  0.622785  0.302320  1
  Ni  Ni79  1  0.659281  0.898148  0.325986  1
  Ni  Ni80  1  0.159281  0.898148  0.325986  1
  Ni  Ni81  1  0.092892  0.265147  0.311937  1
  Ni  Ni82  1  0.227794  0.535303  0.338553  1
  Ni  Ni83  1  0.592892  0.265147  0.311937  1
  Ni  Ni84  1  0.727794  0.535303  0.338553  1
  Ni  Ni85  1  0.363903  0.807919  0.364268  1
  Ni  Ni86  1  0.863903  0.807919  0.364268  1
  Ni  Ni87  1  0.794865  0.169706  0.351653  1
  Ni  Ni88  1  0.931240  0.442826  0.377807  1
  Ni  Ni89  1  0.294865  0.169706  0.351653  1
  Ni  Ni90  1  0.431240  0.442826  0.377807  1
  Ni  Ni91  1  0.067554  0.715846  0.403348  1
  Ni  Ni92  1  0.567554  0.715846  0.403348  1
  Ni  Ni93  1  0.499657  0.079816  0.390115  1
  Ni  Ni94  1  0.635548  0.351979  0.415675  1
  Ni  Ni95  1  0.999657  0.079816  0.390115  1
  Ni  Ni96  1  0.135548  0.351979  0.415675  1
  Ni  Ni97  1  0.771672  0.624629  0.441469  1
  Ni  Ni98  1  0.271672  0.624629  0.441469  1
  Ni  Ni99  1  0.203384  0.987886  0.428666  1
  Ni  Ni100  1  0.339341  0.260189  0.454339  1
  Ni  Ni101  1  0.703384  0.987886  0.428666  1
  Ni  Ni102  1  0.839341  0.260189  0.454339  1
  Ni  Ni103  1  0.475423  0.532744  0.480071  1
  Ni  Ni104  1  0.975423  0.532744  0.480071  1
  Ni  Ni105  1  0.907559  0.896806  0.467124  1
  Ni  Ni106  1  0.043465  0.169010  0.492709  1
  Ni  Ni107  1  0.407559  0.896806  0.467124  1
  Ni  Ni108  1  0.543465  0.169010  0.492709  1
  Ni  Ni109  1  0.179484  0.441442  0.518357  1
  Ni  Ni110  1  0.679484  0.441442  0.518357  1
  Ni  Ni111  1  0.611443  0.805176  0.505719  1
  Ni  Ni112  1  0.747348  0.077380  0.531304  1
  Ni  Ni113  1  0.111443  0.805176  0.505719  1
  Ni  Ni114  1  0.247348  0.077380  0.531304  1
  Ni  Ni115  1  0.883235  0.349557  0.556959  1
  Ni  Ni116  1  0.383235  0.349557  0.556959  1
  Ni  Ni117  1  0.315566  0.713996  0.544089  1
  Ni  Ni118  1  0.451523  0.986300  0.569762  1
  Ni  Ni119  1  0.815566  0.713996  0.544089  1
  Ni  Ni120  1  0.951523  0.986300  0.569762  1
  Ni  Ni121  1  0.587354  0.258340  0.595080  1
  Ni  Ni122  1  0.087354  0.258340  0.595080  1
  Ni  Ni123  1  0.019360  0.622207  0.582753  1
  Ni  Ni124  1  0.155251  0.894370  0.608313  1
  Ni  Ni125  1  0.519360  0.622207  0.582753  1
  Ni  Ni126  1  0.655251  0.894370  0.608313  1
  Ni  Ni127  1  0.291005  0.166267  0.634160  1
  Ni  Ni128  1  0.791005  0.166267  0.634160  1
  Ni  Ni129  1  0.723667  0.531360  0.620621  1
  Ni  Ni130  1  0.860042  0.804480  0.646775  1
  Ni  Ni131  1  0.223667  0.531360  0.620621  1
  Ni  Ni132  1  0.360042  0.804480  0.646775  1
  Ni  Ni133  1  0.995627  0.076037  0.672442  1
  Ni  Ni134  1  0.495627  0.076037  0.672442  1
  Ni  Ni135  1  0.427114  0.438883  0.659875  1
  Ni  Ni136  1  0.562016  0.709039  0.686491  1
  Ni  Ni137  1  0.927114  0.438883  0.659875  1
  Ni  Ni138  1  0.062016  0.709039  0.686491  1
  Ni  Ni139  1  0.698585  0.982453  0.709823  1
  Ni  Ni140  1  0.198585  0.982453  0.709823  1
  Ni  Ni141  1  0.133200  0.351401  0.696108  1
  Ni  Ni142  1  0.266034  0.617535  0.721335  1
  Ni  Ni143  1  0.633200  0.351401  0.696108  1
  Ni  Ni144  1  0.766034  0.617535  0.721335  1
