# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.54686195
_cell_length_b   9.93705138
_cell_length_c   48.37713109
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   111.28242404
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al120 Ni40'
_cell_volume   5172.32187527
_cell_formula_units_Z   40
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  0.136708  0.938810  0.359285  1
  Al  Al2  1  0.538543  0.123717  0.327363  1
  Al  Al3  1  0.794823  0.261595  0.321645  1
  Al  Al4  1  0.259009  0.418999  0.290679  1
  Al  Al5  1  0.681400  0.032624  0.288551  1
  Al  Al6  1  0.325793  0.835497  0.334000  1
  Al  Al7  1  0.048410  0.347279  0.321610  1
  Al  Al8  1  0.509641  0.585462  0.277009  1
  Al  Al9  1  0.009009  0.137141  0.355731  1
  Al  Al10  1  0.440001  0.317531  0.306978  1
  Al  Al11  1  0.139102  0.831334  0.301810  1
  Al  Al12  1  0.750331  0.676198  0.348445  1
  Al  Al13  1  0.945502  0.877031  0.324565  1
  Al  Al14  1  0.419666  0.013419  0.283899  1
  Al  Al15  1  0.267615  0.254356  0.351284  1
  Al  Al16  1  0.704655  0.485602  0.304736  1
  Al  Al17  1  0.144475  0.635471  0.359963  1
  Al  Al18  1  0.523908  0.811084  0.315663  1
  Al  Al19  1  0.125350  0.121050  0.303552  1
  Al  Al20  1  0.741359  0.970991  0.345938  1
  Al  Al21  1  0.950186  0.561730  0.324882  1
  Al  Al22  1  0.335846  0.719576  0.280134  1
  Al  Al23  1  0.729004  0.788865  0.298178  1
  Al  Al24  1  0.334256  0.546875  0.337062  1
  Al  Al25  1  0.332548  0.591595  0.451118  1
  Al  Al26  1  0.735730  0.761374  0.406591  1
  Al  Al27  1  0.013591  0.925679  0.416179  1
  Al  Al28  1  0.398840  0.084870  0.370393  1
  Al  Al29  1  0.931957  0.658697  0.377762  1
  Al  Al30  1  0.535124  0.489667  0.422599  1
  Al  Al31  1  0.260975  0.029960  0.415343  1
  Al  Al32  1  0.663825  0.190368  0.371324  1
  Al  Al33  1  0.216907  0.802835  0.448848  1
  Al  Al34  1  0.620677  0.966952  0.406313  1
  Al  Al35  1  0.341125  0.506239  0.393439  1
  Al  Al36  1  0.950057  0.339039  0.438567  1
  Al  Al37  1  0.133155  0.535197  0.411519  1
  Al  Al38  1  0.542199  0.700263  0.368157  1
  Al  Al39  1  0.466525  0.901183  0.449372  1
  Al  Al40  1  0.868154  0.078585  0.402169  1
  Al  Al41  1  0.344088  0.295100  0.449798  1
  Al  Al42  1  0.740238  0.460906  0.404180  1
  Al  Al43  1  0.350322  0.806310  0.393865  1
  Al  Al44  1  0.954545  0.642560  0.436942  1
  Al  Al45  1  0.144386  0.237785  0.410084  1
  Al  Al46  1  0.537912  0.394878  0.361695  1
  Al  Al47  1  0.921049  0.355239  0.377704  1
  Al  Al48  1  0.523551  0.184963  0.425262  1
  Al  Al49  1  0.540541  0.253662  0.542566  1
  Al  Al50  1  0.939884  0.421901  0.497370  1
  Al  Al51  1  0.221309  0.589995  0.506672  1
  Al  Al52  1  0.619023  0.759018  0.461242  1
  Al  Al53  1  0.138215  0.323797  0.469974  1
  Al  Al54  1  0.741480  0.155704  0.516580  1
  Al  Al55  1  0.471057  0.692655  0.506232  1
  Al  Al56  1  0.867880  0.859674  0.461170  1
  Al  Al57  1  0.426202  0.466028  0.539927  1
  Al  Al58  1  0.823026  0.633047  0.494864  1
  Al  Al59  1  0.552602  0.169998  0.484516  1
  Al  Al60  1  0.155868  1.001905  0.531122  1
  Al  Al61  1  0.344473  0.201321  0.503818  1
  Al  Al62  1  0.742976  0.369501  0.458367  1
  Al  Al63  1  0.675060  0.566684  0.539854  1
  Al  Al64  1  0.072774  0.735707  0.494424  1
  Al  Al65  1  0.551107  0.956201  0.542729  1
  Al  Al66  1  0.949610  0.124381  0.497278  1
  Al  Al67  1  0.559376  0.473851  0.482459  1
  Al  Al68  1  0.164309  0.307095  0.528528  1
  Al  Al69  1  0.354198  0.903801  0.503726  1
  Al  Al70  1  0.753542  0.072040  0.458531  1
  Al  Al71  1  0.129773  0.018607  0.472569  1
  Al  Al72  1  0.734707  0.851851  0.518637  1
  Al  Al73  1  0.756170  0.930824  0.639402  1
  Al  Al74  1  0.149697  0.087917  0.591013  1
  Al  Al75  1  0.425928  0.247117  0.598927  1
  Al  Al76  1  0.827558  0.424519  0.551724  1
  Al  Al77  1  0.344026  0.986663  0.562530  1
  Al  Al78  1  0.952958  0.819463  0.607657  1
  Al  Al79  1  0.673406  0.358750  0.594783  1
  Al  Al80  1  0.077175  0.522866  0.552248  1
  Al  Al81  1  0.630258  0.135334  0.629772  1
  Al  Al82  1  0.033107  0.295741  0.585753  1
  Al  Al83  1  0.758958  0.836035  0.578497  1
  Al  Al84  1  0.362126  0.667005  0.623334  1
  Al  Al85  1  0.553845  0.864796  0.596916  1
  Al  Al86  1  0.949994  0.030602  0.551299  1
  Al  Al87  1  0.895242  0.240832  0.630704  1
  Al  Al88  1  0.280491  0.400022  0.584917  1
  Al  Al89  1  0.751883  0.625438  0.632939  1
  Al  Al90  1  0.160927  0.790505  0.589577  1
  Al  Al91  1  0.770532  0.140738  0.575834  1
  Al  Al92  1  0.373034  0.970463  0.623392  1
  Al  Al93  1  0.558352  0.564328  0.594505  1
  Al  Al94  1  0.961535  0.734107  0.549978  1
  Al  Al95  1  0.339537  0.683142  0.564154  1
  Al  Al96  1  0.943760  0.519392  0.607231  1
  Al  Al97  1  0.958236  0.606126  0.720962  1
  Al  Al98  1  0.343897  0.763972  0.676214  1
  Al  Al99  1  0.589428  0.840100  0.696360  1
  Al  Al100  1  0.026468  0.071346  0.649812  1
  Al  Al101  1  0.543751  0.649504  0.652651  1
  Al  Al102  1  0.154981  0.494368  0.699287  1
  Al  Al103  1  0.854082  0.008170  0.694118  1
  Al  Al104  1  0.285073  0.188561  0.645365  1
  Al  Al105  1  0.784441  0.740240  0.724087  1
  Al  Al106  1  0.245673  0.978423  0.679486  1
  Al  Al107  1  0.968289  0.490205  0.667096  1
  Al  Al108  1  0.612682  0.293078  0.712545  1
  Al  Al109  1  0.770174  0.514618  0.685433  1
  Al  Al110  1  0.149608  0.690231  0.641133  1
  Al  Al111  1  0.035073  0.906703  0.710417  1
  Al  Al112  1  0.499259  0.064107  0.679452  1
  Al  Al113  1  0.874417  0.312283  0.717197  1
  Al  Al114  1  0.348581  0.448671  0.676531  1
  Al  Al115  1  0.959827  0.778827  0.664034  1
  Al  Al116  1  0.565079  0.536837  0.702918  1
  Al  Al117  1  0.755539  0.201985  0.673733  1
  Al  Al118  1  0.157374  0.386892  0.641811  1
  Al  Al119  1  0.552724  0.354711  0.655159  1
  Al  Al120  1  0.168733  0.204651  0.697544  1
  Ni  Ni121  1  0.616460  0.244443  0.284835  1
  Ni  Ni122  1  0.301402  0.065181  0.322455  1
  Ni  Ni123  1  0.896509  0.087564  0.308326  1
  Ni  Ni124  1  0.523490  0.934331  0.360365  1
  Ni  Ni125  1  0.169992  0.598718  0.311104  1
  Ni  Ni126  1  0.765241  0.437943  0.353760  1
  Ni  Ni127  1  0.897973  0.697246  0.288518  1
  Ni  Ni128  1  0.550642  0.574458  0.324750  1
  Ni  Ni129  1  0.897541  0.891412  0.372367  1
  Ni  Ni130  1  0.499513  0.717605  0.417429  1
  Ni  Ni131  1  0.130497  0.780058  0.400903  1
  Ni  Ni132  1  0.734219  0.607340  0.446950  1
  Ni  Ni133  1  0.376429  0.277708  0.398908  1
  Ni  Ni134  1  0.984740  0.110468  0.446965  1
  Ni  Ni135  1  0.143760  0.390673  0.368472  1
  Ni  Ni136  1  0.748062  0.222884  0.417553  1
  Ni  Ni137  1  0.101514  0.552682  0.462201  1
  Ni  Ni138  1  0.705470  0.383641  0.508116  1
  Ni  Ni139  1  0.339760  0.441875  0.492149  1
  Ni  Ni140  1  0.943407  0.270992  0.538748  1
  Ni  Ni141  1  0.588612  0.942060  0.492981  1
  Ni  Ni142  1  0.192568  0.773020  0.538895  1
  Ni  Ni143  1  0.350675  0.054710  0.462349  1
  Ni  Ni144  1  0.954323  0.883827  0.508947  1
  Ni  Ni145  1  0.309342  0.215234  0.554131  1
  Ni  Ni146  1  0.917653  0.047994  0.602188  1
  Ni  Ni147  1  0.546021  0.102818  0.583543  1
  Ni  Ni148  1  0.150323  0.935029  0.632624  1
  Ni  Ni149  1  0.794570  0.608097  0.583668  1
  Ni  Ni150  1  0.396542  0.434290  0.628729  1
  Ni  Ni151  1  0.559864  0.718362  0.554146  1
  Ni  Ni152  1  0.163586  0.545644  0.600194  1
  Ni  Ni153  1  0.528841  0.887759  0.647336  1
  Ni  Ni154  1  0.124091  0.726983  0.689992  1
  Ni  Ni155  1  0.743441  0.751243  0.676346  1
  Ni  Ni156  1  0.396110  0.628456  0.712578  1
  Ni  Ni157  1  0.992681  0.260521  0.678641  1
  Ni  Ni158  1  0.677622  0.081258  0.716261  1
  Ni  Ni159  1  0.770592  0.391371  0.640731  1
  Ni  Ni160  1  0.397574  0.238138  0.692770  1
