# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.18724424
_cell_length_b   10.17523781
_cell_length_c   47.44713273
_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   4679.65269518
_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  0.447526  0.783013  0.325514  1
  Al  Al2  1  0.900222  0.567781  0.282161  1
  Al  Al3  1  0.821111  0.823389  0.311556  1
  Al  Al4  1  0.196875  0.866267  0.295685  1
  Al  Al5  1  0.530650  0.532464  0.295686  1
  Al  Al6  1  0.864121  0.199745  0.295514  1
  Al  Al7  1  0.232114  0.235860  0.282160  1
  Al  Al8  1  0.154533  0.490163  0.311803  1
  Al  Al9  1  0.487788  0.156676  0.311536  1
  Al  Al10  1  0.331470  0.666716  0.370045  1
  Al  Al11  1  0.780226  0.449860  0.325698  1
  Al  Al12  1  0.704020  0.706952  0.356211  1
  Al  Al13  1  0.076528  0.745849  0.341904  1
  Al  Al14  1  0.410412  0.411961  0.341902  1
  Al  Al15  1  0.743422  0.078846  0.341978  1
  Al  Al16  1  0.114345  0.115734  0.325705  1
  Al  Al17  1  0.037755  0.373085  0.356564  1
  Al  Al18  1  0.371604  0.039373  0.356216  1
  Al  Al19  1  0.213465  0.548443  0.413700  1
  Al  Al20  1  0.664751  0.333182  0.370050  1
  Al  Al21  1  0.585983  0.587847  0.398943  1
  Al  Al22  1  0.958444  0.627019  0.384671  1
  Al  Al23  1  0.291866  0.293603  0.384668  1
  Al  Al24  1  0.625096  0.960269  0.384536  1
  Al  Al25  1  0.997940  1.000003  0.370051  1
  Al  Al26  1  0.919389  0.254474  0.398893  1
  Al  Al27  1  0.252772  0.921056  0.398944  1
  Al  Al28  1  0.095621  0.430333  0.457278  1
  Al  Al29  1  0.546691  0.215067  0.413675  1
  Al  Al30  1  0.468279  0.469733  0.442693  1
  Al  Al31  1  0.840518  0.508973  0.428016  1
  Al  Al32  1  0.174082  0.175409  0.428020  1
  Al  Al33  1  0.507323  0.842213  0.428027  1
  Al  Al34  1  0.880090  0.881671  0.413679  1
  Al  Al35  1  0.801612  0.136422  0.442691  1
  Al  Al36  1  0.134923  0.803091  0.442694  1
  Al  Al37  1  0.977726  0.312186  0.500636  1
  Al  Al38  1  0.428976  0.096944  0.457207  1
  Al  Al39  1  0.350323  0.351513  0.486153  1
  Al  Al40  1  0.723044  0.390964  0.471605  1
  Al  Al41  1  0.056330  0.057679  0.471604  1
  Al  Al42  1  0.389689  0.724320  0.471626  1
  Al  Al43  1  0.762225  0.763694  0.457206  1
  Al  Al44  1  0.683644  0.018189  0.486126  1
  Al  Al45  1  0.016971  0.684865  0.486154  1
  Al  Al46  1  0.859864  0.194057  0.544111  1
  Al  Al47  1  0.311072  0.978835  0.500666  1
  Al  Al48  1  0.232477  0.233340  0.529690  1
  Al  Al49  1  0.605159  0.272854  0.515156  1
  Al  Al50  1  0.938486  0.939527  0.515158  1
  Al  Al51  1  0.271826  0.606197  0.515150  1
  Al  Al52  1  0.644381  0.645525  0.500666  1
  Al  Al53  1  0.565764  0.900041  0.529697  1
  Al  Al54  1  0.899061  0.566757  0.529689  1
  Al  Al55  1  0.742082  0.076015  0.587591  1
  Al  Al56  1  0.193165  0.860762  0.544080  1
  Al  Al57  1  0.114726  0.115565  0.573287  1
  Al  Al58  1  0.487206  0.154614  0.558594  1
  Al  Al59  1  0.820513  0.821308  0.558594  1
  Al  Al60  1  0.153857  0.487958  0.558607  1
  Al  Al61  1  0.526565  0.527362  0.544081  1
  Al  Al62  1  0.448143  0.782164  0.573319  1
  Al  Al63  1  0.781542  0.448750  0.573290  1
  Al  Al64  1  0.624130  0.957787  0.631205  1
  Al  Al65  1  0.075400  0.742622  0.587604  1
  Al  Al66  1  0.997048  0.997509  0.616730  1
  Al  Al67  1  0.369385  0.036566  0.602397  1
  Al  Al68  1  0.702736  0.703213  0.602398  1
  Al  Al69  1  0.036053  0.369895  0.602330  1
  Al  Al70  1  0.408687  0.409332  0.587600  1
  Al  Al71  1  0.330326  0.664093  0.616616  1
  Al  Al72  1  0.663763  0.330801  0.616728  1
  Al  Al73  1  0.508036  0.841403  0.675595  1
  Al  Al74  1  0.957282  0.624476  0.631230  1
  Al  Al75  1  0.878613  0.879343  0.659264  1
  Al  Al76  1  0.250628  0.918457  0.645013  1
  Al  Al77  1  0.584880  0.584208  0.645019  1
  Al  Al78  1  0.917630  0.251188  0.645171  1
  Al  Al79  1  0.290812  0.290937  0.631230  1
  Al  Al80  1  0.212108  0.545588  0.659345  1
  Al  Al81  1  0.545852  0.212102  0.659263  1
  Al  Al82  1  0.389231  0.722481  0.718974  1
  Al  Al83  1  0.841569  0.507776  0.675728  1
  Al  Al84  1  0.758019  0.758521  0.705536  1
  Al  Al85  1  0.134378  0.801397  0.689630  1
  Al  Al86  1  0.468040  0.467700  0.689610  1
  Al  Al87  1  0.801173  0.134560  0.689787  1
  Al  Al88  1  0.174390  0.174966  0.675720  1
  Al  Al89  1  0.091917  0.425234  0.705352  1
  Al  Al90  1  0.425209  0.091305  0.705537  1
  Ni  Ni91  1  0.715484  0.051203  0.292378  1
  Ni  Ni92  1  0.050608  0.718363  0.292114  1
  Ni  Ni93  1  0.966762  0.969343  0.319210  1
  Ni  Ni94  1  0.345580  0.010611  0.306316  1
  Ni  Ni95  1  0.675008  0.681215  0.306301  1
  Ni  Ni96  1  0.009598  0.345173  0.306972  1
  Ni  Ni97  1  0.382580  0.386364  0.292114  1
  Ni  Ni98  1  0.300022  0.635596  0.319331  1
  Ni  Ni99  1  0.633767  0.302316  0.319210  1
  Ni  Ni100  1  0.595245  0.930757  0.333239  1
  Ni  Ni101  1  0.928769  0.597339  0.334029  1
  Ni  Ni102  1  0.850979  0.852681  0.362900  1
  Ni  Ni103  1  0.223918  0.892418  0.347994  1
  Ni  Ni104  1  0.557050  0.559279  0.347993  1
  Ni  Ni105  1  0.890523  0.225909  0.347862  1
  Ni  Ni106  1  0.261863  0.264252  0.334026  1
  Ni  Ni107  1  0.184278  0.519572  0.362940  1
  Ni  Ni108  1  0.517388  0.186268  0.362891  1
  Ni  Ni109  1  0.477742  0.812951  0.377022  1
  Ni  Ni110  1  0.810826  0.480096  0.376982  1
  Ni  Ni111  1  0.733034  0.734981  0.406573  1
  Ni  Ni112  1  0.105772  0.774193  0.392121  1
  Ni  Ni113  1  0.439083  0.440883  0.392120  1
  Ni  Ni114  1  0.772339  0.107444  0.392136  1
  Ni  Ni115  1  0.144884  0.146042  0.376987  1
  Ni  Ni116  1  0.066565  0.401572  0.406748  1
  Ni  Ni117  1  0.399956  0.068058  0.406576  1
  Ni  Ni118  1  0.360437  0.695380  0.420830  1
  Ni  Ni119  1  0.693767  0.362025  0.420805  1
  Ni  Ni120  1  0.615246  0.616734  0.449822  1
  Ni  Ni121  1  0.987756  0.655897  0.435415  1
  Ni  Ni122  1  0.321050  0.322604  0.435414  1
  Ni  Ni123  1  0.654410  0.989267  0.435353  1
  Ni  Ni124  1  0.027079  0.028718  0.420805  1
  Ni  Ni125  1  0.948645  0.283412  0.449783  1
  Ni  Ni126  1  0.281974  0.950007  0.449823  1
  Ni  Ni127  1  0.242662  0.577338  0.464436  1
  Ni  Ni128  1  0.575969  0.243986  0.464423  1
  Ni  Ni129  1  0.497402  0.498528  0.493382  1
  Ni  Ni130  1  0.869873  0.537921  0.478885  1
  Ni  Ni131  1  0.203334  0.204460  0.478887  1
  Ni  Ni132  1  0.536606  0.871191  0.478891  1
  Ni  Ni133  1  0.909311  0.910644  0.464425  1
  Ni  Ni134  1  0.830708  0.165208  0.493391  1
  Ni  Ni135  1  0.164026  0.831906  0.493382  1
  Ni  Ni136  1  0.124754  0.459162  0.507940  1
  Ni  Ni137  1  0.458115  0.125800  0.507909  1
  Ni  Ni138  1  0.379484  0.380398  0.536868  1
  Ni  Ni139  1  0.752220  0.419807  0.522419  1
  Ni  Ni140  1  0.085480  0.086547  0.522417  1
  Ni  Ni141  1  0.418851  0.753175  0.522440  1
  Ni  Ni142  1  0.791389  0.792526  0.507909  1
  Ni  Ni143  1  0.712823  0.047061  0.536857  1
  Ni  Ni144  1  0.046162  0.713720  0.536870  1
  Ni  Ni145  1  0.006846  0.341001  0.551470  1
  Ni  Ni146  1  0.340167  0.007642  0.551516  1
  Ni  Ni147  1  0.261733  0.262286  0.580474  1
  Ni  Ni148  1  0.634377  0.301804  0.565924  1
  Ni  Ni149  1  0.967745  0.968436  0.565925  1
  Ni  Ni150  1  0.301059  0.635127  0.565883  1
  Ni  Ni151  1  0.673495  0.674314  0.551516  1
  Ni  Ni152  1  0.595028  0.928990  0.580480  1
  Ni  Ni153  1  0.928322  0.595702  0.580474  1
  Ni  Ni154  1  0.888956  0.222842  0.594779  1
  Ni  Ni155  1  0.222163  0.889627  0.594693  1
  Ni  Ni156  1  0.144102  0.145007  0.624292  1
  Ni  Ni157  1  0.516464  0.183591  0.609138  1
  Ni  Ni158  1  0.849788  0.850264  0.609138  1
  Ni  Ni159  1  0.183018  0.516814  0.609161  1
  Ni  Ni160  1  0.555725  0.556062  0.594696  1
  Ni  Ni161  1  0.477537  0.811233  0.624372  1
  Ni  Ni162  1  0.811306  0.477805  0.624298  1
  Ni  Ni163  1  0.771290  0.104918  0.638333  1
  Ni  Ni164  1  0.104732  0.771432  0.638350  1
  Ni  Ni165  1  0.026990  0.027103  0.667960  1
  Ni  Ni166  1  0.398433  0.065295  0.653329  1
  Ni  Ni167  1  0.731779  0.731952  0.653330  1
  Ni  Ni168  1  0.065067  0.398609  0.653177  1
  Ni  Ni169  1  0.437804  0.438355  0.638341  1
  Ni  Ni170  1  0.360094  0.693554  0.667183  1
  Ni  Ni171  1  0.693686  0.360416  0.667956  1
  Ni  Ni172  1  0.655140  0.988498  0.681973  1
  Ni  Ni173  1  0.988645  0.655726  0.681884  1
  Ni  Ni174  1  0.907061  0.905842  0.708796  1
  Ni  Ni175  1  0.276463  0.947430  0.694878  1
  Ni  Ni176  1  0.614136  0.609724  0.694892  1
  Ni  Ni177  1  0.944800  0.278029  0.695128  1
  Ni  Ni178  1  0.322371  0.321982  0.681885  1
  Ni  Ni179  1  0.238770  0.571927  0.709047  1
  Ni  Ni180  1  0.572623  0.240258  0.708796  1
