# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18325431
_cell_length_b   10.18229217
_cell_length_c   47.44618876
_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   4680.96980431
_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  0.708873  0.042776  0.289287  1
  Al  Al2  1  0.054958  0.715707  0.288809  1
  Al  Al3  1  0.969763  0.969268  0.318243  1
  Al  Al4  1  0.356710  1.000575  0.302782  1
  Al  Al5  1  0.666676  0.690613  0.302780  1
  Al  Al6  1  0.006110  0.340007  0.304155  1
  Al  Al7  1  0.381799  0.388866  0.288809  1
  Al  Al8  1  0.300368  0.634273  0.318882  1
  Al  Al9  1  0.635360  0.303664  0.318243  1
  Al  Al10  1  0.596669  0.930566  0.333105  1
  Al  Al11  1  0.930360  0.596187  0.335193  1
  Al  Al12  1  0.851896  0.852655  0.363254  1
  Al  Al13  1  0.223838  0.892682  0.349215  1
  Al  Al14  1  0.558798  0.557723  0.349215  1
  Al  Al15  1  0.892015  0.225905  0.348131  1
  Al  Al16  1  0.262298  0.264252  0.335193  1
  Al  Al17  1  0.185073  0.518955  0.363048  1
  Al  Al18  1  0.518775  0.185777  0.363254  1
  Al  Al19  1  0.478900  0.812771  0.377812  1
  Al  Al20  1  0.811305  0.480031  0.377025  1
  Al  Al21  1  0.733123  0.734625  0.406267  1
  Al  Al22  1  0.106184  0.773828  0.391812  1
  Al  Al23  1  0.439962  0.440050  0.391812  1
  Al  Al24  1  0.772815  0.106680  0.391612  1
  Al  Al25  1  0.146159  0.145178  0.377027  1
  Al  Al26  1  0.066706  0.400563  0.406470  1
  Al  Al27  1  0.400767  0.066981  0.406267  1
  Al  Al28  1  0.360742  0.694591  0.420932  1
  Al  Al29  1  0.694752  0.361017  0.420683  1
  Al  Al30  1  0.615835  0.616156  0.450049  1
  Al  Al31  1  0.988321  0.655637  0.435561  1
  Al  Al32  1  0.321794  0.322165  0.435561  1
  Al  Al33  1  0.654870  0.988714  0.435235  1
  Al  Al34  1  0.027166  0.028603  0.420683  1
  Al  Al35  1  0.948958  0.282796  0.449638  1
  Al  Al36  1  0.282320  0.949671  0.450049  1
  Al  Al37  1  0.243087  0.576917  0.464355  1
  Al  Al38  1  0.576491  0.243492  0.464425  1
  Al  Al39  1  0.497960  0.498073  0.493392  1
  Al  Al40  1  0.870135  0.537710  0.478815  1
  Al  Al41  1  0.203887  0.203958  0.478815  1
  Al  Al42  1  0.537011  0.870833  0.479011  1
  Al  Al43  1  0.909663  0.910321  0.464425  1
  Al  Al44  1  0.830976  0.164792  0.493345  1
  Al  Al45  1  0.164258  0.831776  0.493392  1
  Al  Al46  1  0.124969  0.458777  0.507877  1
  Al  Al47  1  0.458576  0.125452  0.507921  1
  Al  Al48  1  0.379791  0.380111  0.536857  1
  Al  Al49  1  0.752621  0.419322  0.522343  1
  Al  Al50  1  0.085520  0.086423  0.522342  1
  Al  Al51  1  0.419049  0.752849  0.522535  1
  Al  Al52  1  0.791643  0.792385  0.507920  1
  Al  Al53  1  0.713030  0.046824  0.536810  1
  Al  Al54  1  0.046316  0.713585  0.536857  1
  Al  Al55  1  0.006956  0.340745  0.551096  1
  Al  Al56  1  0.340524  0.007463  0.551494  1
  Al  Al57  1  0.262338  0.261989  0.580390  1
  Al  Al58  1  0.634689  0.301680  0.566056  1
  Al  Al59  1  0.967899  0.968468  0.566056  1
  Al  Al60  1  0.301049  0.634831  0.565614  1
  Al  Al61  1  0.673676  0.674311  0.551494  1
  Al  Al62  1  0.595003  0.928775  0.580562  1
  Al  Al63  1  0.928215  0.596112  0.580390  1
  Al  Al64  1  0.888978  0.222742  0.595095  1
  Al  Al65  1  0.222077  0.890365  0.595009  1
  Al  Al66  1  0.143205  0.144937  0.623774  1
  Al  Al67  1  0.516788  0.183707  0.609529  1
  Al  Al68  1  0.849948  0.850547  0.609529  1
  Al  Al69  1  0.182899  0.516658  0.609362  1
  Al  Al70  1  0.556598  0.555843  0.595009  1
  Al  Al71  1  0.477219  0.810970  0.624430  1
  Al  Al72  1  0.811185  0.476958  0.623776  1
  Al  Al73  1  0.770484  0.104229  0.637721  1
  Al  Al74  1  0.104067  0.771310  0.637908  1
  Al  Al75  1  0.027509  0.027002  0.668457  1
  Al  Al76  1  0.398714  0.063757  0.652659  1
  Al  Al77  1  0.730020  0.732450  0.652659  1
  Al  Al78  1  0.065049  0.398789  0.651651  1
  Al  Al79  1  0.437567  0.437810  0.637908  1
  Al  Al80  1  0.360261  0.693997  0.665739  1
  Al  Al81  1  0.693274  0.361240  0.668456  1
  Al  Al82  1  0.652361  0.986082  0.682948  1
  Al  Al83  1  0.988313  0.654755  0.682466  1
  Al  Al84  1  0.913833  0.907912  0.712035  1
  Al  Al85  1  0.271104  0.955151  0.698317  1
  Al  Al86  1  0.621423  0.604827  0.698319  1
  Al  Al87  1  0.942934  0.276654  0.698563  1
  Al  Al88  1  0.321033  0.322030  0.682466  1
  Al  Al89  1  0.236624  0.570338  0.712536  1
  Al  Al90  1  0.574192  0.247555  0.712035  1
  Ni  Ni91  1  0.446462  0.780356  0.327685  1
  Ni  Ni92  1  0.901047  0.571360  0.285956  1
  Ni  Ni93  1  0.827942  0.818286  0.313226  1
  Ni  Ni94  1  0.200714  0.865221  0.299304  1
  Ni  Ni95  1  0.531308  0.534626  0.299304  1
  Ni  Ni96  1  0.861087  0.195010  0.298269  1
  Ni  Ni97  1  0.237449  0.234957  0.285956  1
  Ni  Ni98  1  0.152627  0.486530  0.312513  1
  Ni  Ni99  1  0.484383  0.161841  0.313225  1
  Ni  Ni100  1  0.331552  0.665427  0.370023  1
  Ni  Ni101  1  0.779552  0.454693  0.325361  1
  Ni  Ni102  1  0.703329  0.706627  0.355209  1
  Ni  Ni103  1  0.076736  0.744771  0.341048  1
  Ni  Ni104  1  0.410879  0.410631  0.341048  1
  Ni  Ni105  1  0.744058  0.077947  0.340744  1
  Ni  Ni106  1  0.120798  0.113452  0.325363  1
  Ni  Ni107  1  0.037590  0.371469  0.355777  1
  Ni  Ni108  1  0.372743  0.037212  0.355210  1
  Ni  Ni109  1  0.213872  0.547728  0.413675  1
  Ni  Ni110  1  0.665755  0.331439  0.369703  1
  Ni  Ni111  1  0.586853  0.587033  0.399497  1
  Ni  Ni112  1  0.959401  0.626405  0.385139  1
  Ni  Ni113  1  0.292538  0.293270  0.385139  1
  Ni  Ni114  1  0.625680  0.959551  0.384233  1
  Ni  Ni115  1  0.997563  0.999632  0.369702  1
  Ni  Ni116  1  0.920057  0.253921  0.398763  1
  Ni  Ni117  1  0.253173  0.920712  0.399497  1
  Ni  Ni118  1  0.095929  0.429762  0.457182  1
  Ni  Ni119  1  0.547372  0.214504  0.413743  1
  Ni  Ni120  1  0.469127  0.469003  0.442603  1
  Ni  Ni121  1  0.840887  0.508871  0.427968  1
  Ni  Ni122  1  0.175024  0.174736  0.427969  1
  Ni  Ni123  1  0.507844  0.841691  0.428334  1
  Ni  Ni124  1  0.880649  0.881227  0.413743  1
  Ni  Ni125  1  0.801826  0.135666  0.442509  1
  Ni  Ni126  1  0.135163  0.802967  0.442602  1
  Ni  Ni127  1  0.977995  0.311809  0.500406  1
  Ni  Ni128  1  0.429714  0.096267  0.457126  1
  Ni  Ni129  1  0.350748  0.351189  0.486187  1
  Ni  Ni130  1  0.723607  0.390259  0.471549  1
  Ni  Ni131  1  0.056432  0.057434  0.471549  1
  Ni  Ni132  1  0.390024  0.723849  0.471731  1
  Ni  Ni133  1  0.762434  0.763547  0.457125  1
  Ni  Ni134  1  0.683977  0.017796  0.486070  1
  Ni  Ni135  1  0.017370  0.684567  0.486187  1
  Ni  Ni136  1  0.859935  0.193726  0.544200  1
  Ni  Ni137  1  0.311416  0.978561  0.500758  1
  Ni  Ni138  1  0.232965  0.232964  0.529598  1
  Ni  Ni139  1  0.605515  0.272556  0.515195  1
  Ni  Ni140  1  0.938751  0.939319  0.515195  1
  Ni  Ni141  1  0.272035  0.605841  0.515024  1
  Ni  Ni142  1  0.644750  0.645227  0.500758  1
  Ni  Ni143  1  0.566056  0.899853  0.529746  1
  Ni  Ni144  1  0.899166  0.566763  0.529598  1
  Ni  Ni145  1  0.741917  0.075687  0.587418  1
  Ni  Ni146  1  0.193103  0.860962  0.544172  1
  Ni  Ni147  1  0.114548  0.115722  0.573095  1
  Ni  Ni148  1  0.487836  0.154461  0.558713  1
  Ni  Ni149  1  0.820677  0.821620  0.558713  1
  Ni  Ni150  1  0.153903  0.487686  0.558615  1
  Ni  Ni151  1  0.527170  0.526895  0.544172  1
  Ni  Ni152  1  0.448025  0.781801  0.573428  1
  Ni  Ni153  1  0.781946  0.448325  0.573096  1
  Ni  Ni154  1  0.624315  0.958063  0.631429  1
  Ni  Ni155  1  0.075604  0.742525  0.587476  1
  Ni  Ni156  1  0.997278  0.997694  0.617112  1
  Ni  Ni157  1  0.369636  0.036399  0.602212  1
  Ni  Ni158  1  0.702637  0.703398  0.602212  1
  Ni  Ni159  1  0.036022  0.369788  0.601535  1
  Ni  Ni160  1  0.408756  0.409374  0.587476  1
  Ni  Ni161  1  0.330047  0.663805  0.615939  1
  Ni  Ni162  1  0.663941  0.331032  0.617112  1
  Ni  Ni163  1  0.505216  0.838941  0.676381  1
  Ni  Ni164  1  0.956904  0.625539  0.631280  1
  Ni  Ni165  1  0.878852  0.880024  0.660311  1
  Ni  Ni166  1  0.249920  0.920317  0.645973  1
  Ni  Ni167  1  0.586573  0.583664  0.645974  1
  Ni  Ni168  1  0.917536  0.251276  0.646184  1
  Ni  Ni169  1  0.291790  0.290652  0.631280  1
  Ni  Ni170  1  0.212537  0.546266  0.660092  1
  Ni  Ni171  1  0.546292  0.212586  0.660311  1
  Ni  Ni172  1  0.386365  0.720082  0.715027  1
  Ni  Ni173  1  0.844368  0.506789  0.674356  1
  Ni  Ni174  1  0.760504  0.758709  0.702476  1
  Ni  Ni175  1  0.139265  0.796279  0.687939  1
  Ni  Ni176  1  0.462554  0.472987  0.687937  1
  Ni  Ni177  1  0.797551  0.131276  0.687414  1
  Ni  Ni178  1  0.173060  0.178095  0.674354  1
  Ni  Ni179  1  0.089515  0.423228  0.701599  1
  Ni  Ni180  1  0.425003  0.094211  0.702477  1
