# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18850369
_cell_length_b   10.17716989
_cell_length_c   47.46187511
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.07978686
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi
_chemical_formula_sum   'Al90 Ni90'
_cell_volume   4682.57440469
_cell_formula_units_Z   90
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  0.708048  0.043509  0.289192  1
  Al  Al2  1  0.054103  0.716468  0.288714  1
  Al  Al3  1  0.968950  0.970032  0.318135  1
  Al  Al4  1  0.355875  1.001286  0.302689  1
  Al  Al5  1  0.665874  0.691349  0.302674  1
  Al  Al6  1  0.005314  0.340708  0.304055  1
  Al  Al7  1  0.380943  0.389626  0.288714  1
  Al  Al8  1  0.299533  0.635014  0.318778  1
  Al  Al9  1  0.634503  0.304383  0.318142  1
  Al  Al10  1  0.595873  0.931269  0.332995  1
  Al  Al11  1  0.929589  0.596841  0.335083  1
  Al  Al12  1  0.851194  0.853266  0.363138  1
  Al  Al13  1  0.223106  0.893312  0.349100  1
  Al  Al14  1  0.558076  0.558363  0.349101  1
  Al  Al15  1  0.891260  0.226568  0.348016  1
  Al  Al16  1  0.261551  0.264929  0.335084  1
  Al  Al17  1  0.184362  0.519574  0.362929  1
  Al  Al18  1  0.518073  0.186388  0.363131  1
  Al  Al19  1  0.478248  0.813332  0.377688  1
  Al  Al20  1  0.810641  0.480601  0.376894  1
  Al  Al21  1  0.732538  0.735121  0.406129  1
  Al  Al22  1  0.105558  0.774363  0.391680  1
  Al  Al23  1  0.439337  0.440586  0.391685  1
  Al  Al24  1  0.772193  0.107211  0.391483  1
  Al  Al25  1  0.145498  0.145750  0.376910  1
  Al  Al26  1  0.066130  0.401049  0.406336  1
  Al  Al27  1  0.400182  0.067477  0.406137  1
  Al  Al28  1  0.360204  0.695041  0.420793  1
  Al  Al29  1  0.694205  0.361471  0.420546  1
  Al  Al30  1  0.615374  0.616533  0.449900  1
  Al  Al31  1  0.987815  0.656051  0.435417  1
  Al  Al32  1  0.321293  0.322584  0.435417  1
  Al  Al33  1  0.654361  0.989137  0.435091  1
  Al  Al34  1  0.026624  0.029062  0.420542  1
  Al  Al35  1  0.948482  0.283186  0.449490  1
  Al  Al36  1  0.281858  0.950045  0.449901  1
  Al  Al37  1  0.242657  0.577263  0.464201  1
  Al  Al38  1  0.576063  0.243835  0.464271  1
  Al  Al39  1  0.497608  0.498342  0.493231  1
  Al  Al40  1  0.869744  0.538017  0.478654  1
  Al  Al41  1  0.203495  0.204265  0.478660  1
  Al  Al42  1  0.536625  0.871135  0.478852  1
  Al  Al43  1  0.909235  0.910663  0.464272  1
  Al  Al44  1  0.830626  0.165058  0.493182  1
  Al  Al45  1  0.163905  0.832046  0.493227  1
  Al  Al46  1  0.124657  0.459006  0.507709  1
  Al  Al47  1  0.458263  0.125683  0.507755  1
  Al  Al48  1  0.379555  0.380265  0.536678  1
  Al  Al49  1  0.752345  0.419516  0.522173  1
  Al  Al50  1  0.085244  0.086617  0.522167  1
  Al  Al51  1  0.418778  0.753038  0.522362  1
  Al  Al52  1  0.791330  0.792615  0.507751  1
  Al  Al53  1  0.712793  0.046981  0.536632  1
  Al  Al54  1  0.046081  0.713741  0.536680  1
  Al  Al55  1  0.006751  0.340871  0.550914  1
  Al  Al56  1  0.340332  0.007576  0.551311  1
  Al  Al57  1  0.262211  0.262032  0.580200  1
  Al  Al58  1  0.634533  0.301761  0.565868  1
  Al  Al59  1  0.967740  0.968544  0.565868  1
  Al  Al60  1  0.300884  0.634917  0.565426  1
  Al  Al61  1  0.673483  0.674422  0.551312  1
  Al  Al62  1  0.594884  0.928815  0.580370  1
  Al  Al63  1  0.928094  0.596160  0.580197  1
  Al  Al64  1  0.888903  0.222739  0.594898  1
  Al  Al65  1  0.221993  0.890374  0.594808  1
  Al  Al66  1  0.143196  0.144870  0.623562  1
  Al  Al67  1  0.516748  0.183673  0.609329  1
  Al  Al68  1  0.849907  0.850511  0.609325  1
  Al  Al69  1  0.182860  0.516620  0.609160  1
  Al  Al70  1  0.556512  0.555850  0.594816  1
  Al  Al71  1  0.477221  0.810894  0.624223  1
  Al  Al72  1  0.811176  0.476892  0.623575  1
  Al  Al73  1  0.770522  0.104117  0.637510  1
  Al  Al74  1  0.104108  0.771194  0.637702  1
  Al  Al75  1  0.027617  0.026807  0.668237  1
  Al  Al76  1  0.398800  0.063605  0.652443  1
  Al  Al77  1  0.730097  0.732291  0.652442  1
  Al  Al78  1  0.065109  0.398655  0.651435  1
  Al  Al79  1  0.437608  0.437695  0.637692  1
  Al  Al80  1  0.360343  0.693841  0.665518  1
  Al  Al81  1  0.693396  0.361060  0.668234  1
  Al  Al82  1  0.652526  0.985845  0.682722  1
  Al  Al83  1  0.988496  0.654529  0.682239  1
  Al  Al84  1  0.913992  0.907669  0.711798  1
  Al  Al85  1  0.271259  0.954952  0.698080  1
  Al  Al86  1  0.621549  0.604602  0.698093  1
  Al  Al87  1  0.943105  0.276412  0.698332  1
  Al  Al88  1  0.321187  0.321774  0.682241  1
  Al  Al89  1  0.236823  0.570067  0.712300  1
  Al  Al90  1  0.574362  0.247322  0.711799  1
  Ni  Ni91  1  0.445684  0.781041  0.327577  1
  Ni  Ni92  1  0.900184  0.572137  0.285861  1
  Ni  Ni93  1  0.827135  0.819022  0.313130  1
  Ni  Ni94  1  0.199834  0.866009  0.299204  1
  Ni  Ni95  1  0.530425  0.535410  0.299207  1
  Ni  Ni96  1  0.860149  0.195855  0.298171  1
  Ni  Ni97  1  0.236576  0.235727  0.285864  1
  Ni  Ni98  1  0.151800  0.487263  0.312410  1
  Ni  Ni99  1  0.483553  0.162554  0.313115  1
  Ni  Ni100  1  0.330878  0.666010  0.369901  1
  Ni  Ni101  1  0.778741  0.455383  0.325242  1
  Ni  Ni102  1  0.702608  0.707261  0.355087  1
  Ni  Ni103  1  0.075952  0.745449  0.340933  1
  Ni  Ni104  1  0.410109  0.411323  0.340938  1
  Ni  Ni105  1  0.743304  0.078608  0.340632  1
  Ni  Ni106  1  0.120013  0.114169  0.325268  1
  Ni  Ni107  1  0.036897  0.372070  0.355660  1
  Ni  Ni108  1  0.372018  0.037841  0.355099  1
  Ni  Ni109  1  0.213303  0.548209  0.413539  1
  Ni  Ni110  1  0.665067  0.332029  0.369583  1
  Ni  Ni111  1  0.586263  0.587534  0.399366  1
  Ni  Ni112  1  0.958764  0.626946  0.385012  1
  Ni  Ni113  1  0.291907  0.293818  0.385012  1
  Ni  Ni114  1  0.625027  0.960114  0.384106  1
  Ni  Ni115  1  0.996882  1.000229  0.369578  1
  Ni  Ni116  1  0.919443  0.254445  0.398631  1
  Ni  Ni117  1  0.252583  0.921213  0.399366  1
  Ni  Ni118  1  0.095486  0.430119  0.457031  1
  Ni  Ni119  1  0.546809  0.214977  0.413604  1
  Ni  Ni120  1  0.468642  0.469405  0.442459  1
  Ni  Ni121  1  0.840358  0.509310  0.427823  1
  Ni  Ni122  1  0.174498  0.175177  0.427833  1
  Ni  Ni123  1  0.507325  0.842123  0.428193  1
  Ni  Ni124  1  0.880087  0.881701  0.413608  1
  Ni  Ni125  1  0.801341  0.136065  0.442362  1
  Ni  Ni126  1  0.134674  0.803366  0.442454  1
  Ni  Ni127  1  0.977654  0.312066  0.500241  1
  Ni  Ni128  1  0.429265  0.096631  0.456977  1
  Ni  Ni129  1  0.350380  0.351475  0.486026  1
  Ni  Ni130  1  0.723195  0.390584  0.471396  1
  Ni  Ni131  1  0.056021  0.057762  0.471391  1
  Ni  Ni132  1  0.389620  0.724168  0.471575  1
  Ni  Ni133  1  0.761984  0.763910  0.456972  1
  Ni  Ni134  1  0.683603  0.018086  0.485909  1
  Ni  Ni135  1  0.017000  0.684852  0.486026  1
  Ni  Ni136  1  0.859722  0.193859  0.544020  1
  Ni  Ni137  1  0.311089  0.978806  0.500593  1
  Ni  Ni138  1  0.232706  0.233139  0.529425  1
  Ni  Ni139  1  0.605224  0.272767  0.515025  1
  Ni  Ni140  1  0.938459  0.939529  0.515025  1
  Ni  Ni141  1  0.271737  0.606058  0.514854  1
  Ni  Ni142  1  0.644423  0.645472  0.500592  1
  Ni  Ni143  1  0.565805  0.900023  0.529571  1
  Ni  Ni144  1  0.898910  0.566940  0.529421  1
  Ni  Ni145  1  0.741811  0.075715  0.587223  1
  Ni  Ni146  1  0.192884  0.861100  0.543989  1
  Ni  Ni147  1  0.114406  0.115784  0.572901  1
  Ni  Ni148  1  0.487659  0.154561  0.558530  1
  Ni  Ni149  1  0.820497  0.821717  0.558526  1
  Ni  Ni150  1  0.153726  0.487784  0.558431  1
  Ni  Ni151  1  0.526951  0.527033  0.543995  1
  Ni  Ni152  1  0.447892  0.781855  0.573238  1
  Ni  Ni153  1  0.781806  0.448388  0.572910  1
  Ni  Ni154  1  0.624336  0.957967  0.631220  1
  Ni  Ni155  1  0.075506  0.742550  0.587284  1
  Ni  Ni156  1  0.997262  0.997629  0.616908  1
  Ni  Ni157  1  0.369578  0.036382  0.602013  1
  Ni  Ni158  1  0.702578  0.703378  0.602013  1
  Ni  Ni159  1  0.035942  0.369791  0.601336  1
  Ni  Ni160  1  0.408654  0.409394  0.587279  1
  Ni  Ni161  1  0.330008  0.663767  0.615735  1
  Ni  Ni162  1  0.663930  0.330973  0.616906  1
  Ni  Ni163  1  0.505358  0.838726  0.676157  1
  Ni  Ni164  1  0.956920  0.625452  0.631070  1
  Ni  Ni165  1  0.878945  0.879845  0.660091  1
  Ni  Ni166  1  0.249963  0.920203  0.645754  1
  Ni  Ni167  1  0.586612  0.583547  0.645765  1
  Ni  Ni168  1  0.917599  0.251140  0.645970  1
  Ni  Ni169  1  0.291802  0.290560  0.631072  1
  Ni  Ni170  1  0.212655  0.546075  0.659873  1
  Ni  Ni171  1  0.546398  0.212420  0.660094  1
  Ni  Ni172  1  0.386556  0.719819  0.714790  1
  Ni  Ni173  1  0.844501  0.506597  0.674141  1
  Ni  Ni174  1  0.760744  0.758394  0.702242  1
  Ni  Ni175  1  0.139425  0.796066  0.687718  1
  Ni  Ni176  1  0.462694  0.472756  0.687701  1
  Ni  Ni177  1  0.797690  0.131065  0.687186  1
  Ni  Ni178  1  0.173180  0.177890  0.674122  1
  Ni  Ni179  1  0.089725  0.422947  0.701366  1
  Ni  Ni180  1  0.425247  0.093899  0.702246  1
