# generated using pymatgen
data_AlNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.29209224
_cell_length_b   10.28407570
_cell_length_c   47.82521096
_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   4816.46259535
_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  0.446903  0.781758  0.326723  1
  Al  Al2  1  0.902489  0.567002  0.285072  1
  Al  Al3  1  0.821957  0.822192  0.312962  1
  Al  Al4  1  0.195542  0.865775  0.298178  1
  Al  Al5  1  0.530841  0.530464  0.298179  1
  Al  Al6  1  0.863976  0.198906  0.297874  1
  Al  Al7  1  0.232000  0.237473  0.285071  1
  Al  Al8  1  0.154112  0.489064  0.313355  1
  Al  Al9  1  0.487255  0.156874  0.312949  1
  Al  Al10  1  0.331387  0.666089  0.370687  1
  Al  Al11  1  0.780507  0.448822  0.326934  1
  Al  Al12  1  0.704215  0.706582  0.357083  1
  Al  Al13  1  0.076401  0.744953  0.343028  1
  Al  Al14  1  0.410146  0.411208  0.343026  1
  Al  Al15  1  0.743147  0.077944  0.343236  1
  Al  Al16  1  0.113954  0.115371  0.326937  1
  Al  Al17  1  0.037796  0.372548  0.357286  1
  Al  Al18  1  0.371819  0.038976  0.357086  1
  Al  Al19  1  0.213667  0.548212  0.414782  1
  Al  Al20  1  0.664683  0.332538  0.370857  1
  Al  Al21  1  0.586333  0.587668  0.400004  1
  Al  Al22  1  0.958567  0.626562  0.385674  1
  Al  Al23  1  0.291920  0.293213  0.385672  1
  Al  Al24  1  0.625037  0.959696  0.385215  1
  Al  Al25  1  0.997841  0.999388  0.370857  1
  Al  Al26  1  0.919626  0.254232  0.399936  1
  Al  Al27  1  0.253069  0.920932  0.400005  1
  Al  Al28  1  0.095763  0.430151  0.458463  1
  Al  Al29  1  0.546882  0.214962  0.414751  1
  Al  Al30  1  0.468452  0.469595  0.443829  1
  Al  Al31  1  0.840631  0.508856  0.429114  1
  Al  Al32  1  0.174362  0.175125  0.429116  1
  Al  Al33  1  0.507431  0.841924  0.429109  1
  Al  Al34  1  0.880418  0.881428  0.414755  1
  Al  Al35  1  0.801716  0.136161  0.443843  1
  Al  Al36  1  0.135148  0.802900  0.443829  1
  Al  Al37  1  0.977873  0.312116  0.501901  1
  Al  Al38  1  0.429252  0.096750  0.458373  1
  Al  Al39  1  0.350444  0.351416  0.487406  1
  Al  Al40  1  0.723222  0.390797  0.472811  1
  Al  Al41  1  0.056455  0.057566  0.472811  1
  Al  Al42  1  0.389792  0.724134  0.472808  1
  Al  Al43  1  0.762357  0.763647  0.458372  1
  Al  Al44  1  0.683744  0.018038  0.487318  1
  Al  Al45  1  0.017127  0.684733  0.487408  1
  Al  Al46  1  0.859937  0.194020  0.545517  1
  Al  Al47  1  0.311239  0.978775  0.501957  1
  Al  Al48  1  0.232701  0.233354  0.531071  1
  Al  Al49  1  0.605343  0.272889  0.516531  1
  Al  Al50  1  0.938702  0.939530  0.516533  1
  Al  Al51  1  0.271993  0.606183  0.516469  1
  Al  Al52  1  0.644537  0.645477  0.501957  1
  Al  Al53  1  0.565907  0.900043  0.531048  1
  Al  Al54  1  0.899219  0.566838  0.531070  1
  Al  Al55  1  0.742103  0.076037  0.589099  1
  Al  Al56  1  0.193236  0.860858  0.545479  1
  Al  Al57  1  0.114827  0.115764  0.574761  1
  Al  Al58  1  0.487369  0.154758  0.560030  1
  Al  Al59  1  0.820725  0.821402  0.560031  1
  Al  Al60  1  0.153955  0.487984  0.560063  1
  Al  Al61  1  0.526770  0.527323  0.545480  1
  Al  Al62  1  0.448225  0.782209  0.574797  1
  Al  Al63  1  0.781778  0.448814  0.574763  1
  Al  Al64  1  0.624513  0.958285  0.632931  1
  Al  Al65  1  0.075554  0.742632  0.589116  1
  Al  Al66  1  0.997429  0.997921  0.618584  1
  Al  Al67  1  0.369504  0.036614  0.603904  1
  Al  Al68  1  0.702739  0.703378  0.603904  1
  Al  Al69  1  0.036018  0.369900  0.603815  1
  Al  Al70  1  0.408698  0.409486  0.589112  1
  Al  Al71  1  0.330532  0.664373  0.618166  1
  Al  Al72  1  0.664095  0.331259  0.618582  1
  Al  Al73  1  0.508323  0.841911  0.676901  1
  Al  Al74  1  0.957618  0.625018  0.633111  1
  Al  Al75  1  0.879164  0.880064  0.660622  1
  Al  Al76  1  0.250816  0.918695  0.646702  1
  Al  Al77  1  0.584967  0.584540  0.646706  1
  Al  Al78  1  0.917628  0.251345  0.646660  1
  Al  Al79  1  0.291241  0.291387  0.633111  1
  Al  Al80  1  0.212615  0.546288  0.660846  1
  Al  Al81  1  0.546383  0.212847  0.660620  1
  Al  Al82  1  0.388607  0.722080  0.718474  1
  Al  Al83  1  0.842225  0.509395  0.676980  1
  Al  Al84  1  0.757689  0.760063  0.705623  1
  Al  Al85  1  0.135155  0.801415  0.690740  1
  Al  Al86  1  0.467845  0.468705  0.690727  1
  Al  Al87  1  0.801079  0.134660  0.690968  1
  Al  Al88  1  0.175796  0.175830  0.676976  1
  Al  Al89  1  0.093251  0.426800  0.705289  1
  Al  Al90  1  0.426512  0.091233  0.705624  1
  Ni  Ni91  1  0.716043  0.051074  0.294242  1
  Ni  Ni92  1  0.051058  0.716563  0.293878  1
  Ni  Ni93  1  0.966427  0.968526  0.320431  1
  Ni  Ni94  1  0.343737  0.010960  0.307726  1
  Ni  Ni95  1  0.676011  0.678710  0.307718  1
  Ni  Ni96  1  0.009285  0.344219  0.308054  1
  Ni  Ni97  1  0.381487  0.386123  0.293877  1
  Ni  Ni98  1  0.299439  0.634344  0.320276  1
  Ni  Ni99  1  0.633633  0.301312  0.320432  1
  Ni  Ni100  1  0.594839  0.929710  0.334067  1
  Ni  Ni101  1  0.928729  0.596736  0.335383  1
  Ni  Ni102  1  0.851342  0.851938  0.363963  1
  Ni  Ni103  1  0.223937  0.892405  0.349290  1
  Ni  Ni104  1  0.557630  0.558712  0.349290  1
  Ni  Ni105  1  0.890596  0.225383  0.349136  1
  Ni  Ni106  1  0.261890  0.263581  0.335381  1
  Ni  Ni107  1  0.184277  0.519001  0.364026  1
  Ni  Ni108  1  0.517212  0.186062  0.363956  1
  Ni  Ni109  1  0.477682  0.812360  0.377987  1
  Ni  Ni110  1  0.810932  0.479712  0.377951  1
  Ni  Ni111  1  0.733182  0.735061  0.407593  1
  Ni  Ni112  1  0.106201  0.773932  0.393144  1
  Ni  Ni113  1  0.439308  0.440825  0.393143  1
  Ni  Ni114  1  0.772472  0.107090  0.393204  1
  Ni  Ni115  1  0.145031  0.145616  0.377954  1
  Ni  Ni116  1  0.066750  0.401312  0.407778  1
  Ni  Ni117  1  0.400487  0.067754  0.407595  1
  Ni  Ni118  1  0.360545  0.695071  0.421789  1
  Ni  Ni119  1  0.693958  0.361756  0.421839  1
  Ni  Ni120  1  0.615441  0.616594  0.451002  1
  Ni  Ni121  1  0.987930  0.655663  0.436545  1
  Ni  Ni122  1  0.321196  0.322397  0.436543  1
  Ni  Ni123  1  0.654477  0.988953  0.436322  1
  Ni  Ni124  1  0.027232  0.028486  0.421838  1
  Ni  Ni125  1  0.948817  0.283239  0.450928  1
  Ni  Ni126  1  0.282178  0.949858  0.451002  1
  Ni  Ni127  1  0.242799  0.577168  0.465644  1
  Ni  Ni128  1  0.576097  0.243936  0.465653  1
  Ni  Ni129  1  0.497572  0.498419  0.494646  1
  Ni  Ni130  1  0.869982  0.537863  0.480119  1
  Ni  Ni131  1  0.203547  0.204298  0.480120  1
  Ni  Ni132  1  0.536695  0.871010  0.480113  1
  Ni  Ni133  1  0.909570  0.910465  0.465655  1
  Ni  Ni134  1  0.830802  0.165065  0.494667  1
  Ni  Ni135  1  0.164152  0.831840  0.494646  1
  Ni  Ni136  1  0.124903  0.459113  0.509267  1
  Ni  Ni137  1  0.458340  0.125781  0.509215  1
  Ni  Ni138  1  0.379569  0.380481  0.538240  1
  Ni  Ni139  1  0.752461  0.419802  0.523757  1
  Ni  Ni140  1  0.085639  0.086625  0.523756  1
  Ni  Ni141  1  0.418982  0.753144  0.523777  1
  Ni  Ni142  1  0.791567  0.792554  0.509215  1
  Ni  Ni143  1  0.712908  0.047020  0.538198  1
  Ni  Ni144  1  0.046372  0.713680  0.538242  1
  Ni  Ni145  1  0.006949  0.341013  0.552841  1
  Ni  Ni146  1  0.340319  0.007672  0.552922  1
  Ni  Ni147  1  0.261943  0.262422  0.582061  1
  Ni  Ni148  1  0.634586  0.301987  0.567505  1
  Ni  Ni149  1  0.967982  0.968590  0.567506  1
  Ni  Ni150  1  0.301194  0.635209  0.567315  1
  Ni  Ni151  1  0.673613  0.674378  0.552921  1
  Ni  Ni152  1  0.595152  0.929105  0.581987  1
  Ni  Ni153  1  0.928472  0.595898  0.582061  1
  Ni  Ni154  1  0.888825  0.222731  0.596297  1
  Ni  Ni155  1  0.222001  0.889862  0.596230  1
  Ni  Ni156  1  0.144480  0.145414  0.625858  1
  Ni  Ni157  1  0.516529  0.183878  0.610673  1
  Ni  Ni158  1  0.850021  0.850384  0.610674  1
  Ni  Ni159  1  0.182959  0.516808  0.610749  1
  Ni  Ni160  1  0.555947  0.555914  0.596231  1
  Ni  Ni161  1  0.477706  0.811500  0.625972  1
  Ni  Ni162  1  0.811614  0.478283  0.625861  1
  Ni  Ni163  1  0.771403  0.105163  0.639844  1
  Ni  Ni164  1  0.105175  0.771529  0.639864  1
  Ni  Ni165  1  0.027784  0.028062  0.669612  1
  Ni  Ni166  1  0.398928  0.065259  0.654580  1
  Ni  Ni167  1  0.731574  0.732610  0.654579  1
  Ni  Ni168  1  0.065044  0.398741  0.654395  1
  Ni  Ni169  1  0.437768  0.438930  0.639857  1
  Ni  Ni170  1  0.360385  0.694034  0.668349  1
  Ni  Ni171  1  0.694444  0.361408  0.669610  1
  Ni  Ni172  1  0.655492  0.989086  0.683252  1
  Ni  Ni173  1  0.989205  0.656856  0.683412  1
  Ni  Ni174  1  0.906979  0.904901  0.709584  1
  Ni  Ni175  1  0.278155  0.947302  0.696027  1
  Ni  Ni176  1  0.613788  0.611645  0.696035  1
  Ni  Ni177  1  0.946055  0.279530  0.695848  1
  Ni  Ni178  1  0.323273  0.322783  0.683413  1
  Ni  Ni179  1  0.239433  0.572847  0.709926  1
  Ni  Ni180  1  0.571447  0.240432  0.709583  1
