# generated using pymatgen
data_Al3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.41927986
_cell_length_b   17.90956410
_cell_length_c   48.12768098
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni
_chemical_formula_sum   'Al180 Ni60'
_cell_volume   7256.96280881
_cell_formula_units_Z   60
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  0.752803  0.828073  0.304777  1
  Al  Al2  1  0.752803  0.218909  0.345872  1
  Al  Al3  1  0.752803  0.437392  0.285335  1
  Al  Al4  1  0.507483  0.671347  0.283304  1
  Al  Al5  1  0.502036  0.055894  0.314659  1
  Al  Al6  1  0.508742  0.451723  0.344171  1
  Al  Al7  1  0.998123  0.671347  0.283304  1
  Al  Al8  1  0.003569  0.055894  0.314659  1
  Al  Al9  1  0.996863  0.451723  0.344171  1
  Al  Al10  1  0.502164  0.752119  0.332916  1
  Al  Al11  1  0.534008  0.956908  0.274530  1
  Al  Al12  1  0.512355  0.348739  0.300293  1
  Al  Al13  1  0.513184  0.904811  0.326010  1
  Al  Al14  1  0.508809  0.303088  0.353802  1
  Al  Al15  1  0.494182  0.515464  0.289346  1
  Al  Al16  1  0.084975  0.816282  0.274228  1
  Al  Al17  1  0.009705  0.201696  0.309828  1
  Al  Al18  1  0.008425  0.598615  0.340642  1
  Al  Al19  1  0.992422  0.904811  0.326010  1
  Al  Al20  1  0.996797  0.303088  0.353802  1
  Al  Al21  1  0.011423  0.515464  0.289346  1
  Al  Al22  1  0.420631  0.816282  0.274228  1
  Al  Al23  1  0.495901  0.201696  0.309828  1
  Al  Al24  1  0.497180  0.598615  0.340642  1
  Al  Al25  1  0.003442  0.752119  0.332916  1
  Al  Al26  1  0.971598  0.956908  0.274530  1
  Al  Al27  1  0.993251  0.348739  0.300293  1
  Al  Al28  1  0.752803  0.673113  0.322725  1
  Al  Al29  1  0.752803  0.058427  0.352759  1
  Al  Al30  1  0.752803  0.253392  0.284917  1
  Al  Al31  1  0.252803  0.834125  0.345006  1
  Al  Al32  1  0.252803  0.039003  0.279843  1
  Al  Al33  1  0.252803  0.434226  0.312995  1
  Al  Al34  1  0.252803  0.993777  0.340284  1
  Al  Al35  1  0.252803  0.192045  0.277548  1
  Al  Al36  1  0.252803  0.600294  0.307901  1
  Al  Al37  1  0.752803  1.002316  0.406834  1
  Al  Al38  1  0.752803  0.396238  0.435193  1
  Al  Al39  1  0.752803  0.609077  0.375465  1
  Al  Al40  1  0.510251  0.845068  0.377430  1
  Al  Al41  1  0.509906  0.239046  0.406001  1
  Al  Al42  1  0.509215  0.630936  0.436591  1
  Al  Al43  1  0.995354  0.845068  0.377430  1
  Al  Al44  1  0.995700  0.239046  0.406001  1
  Al  Al45  1  0.996391  0.630936  0.436591  1
  Al  Al46  1  0.494748  0.926611  0.424643  1
  Al  Al47  1  0.494852  0.140351  0.362358  1
  Al  Al48  1  0.494420  0.533177  0.392728  1
  Al  Al49  1  0.510273  0.090442  0.415428  1
  Al  Al50  1  0.509312  0.482527  0.445367  1
  Al  Al51  1  0.509400  0.695636  0.384811  1
  Al  Al52  1  0.009020  0.991319  0.372956  1
  Al  Al53  1  0.009858  0.384894  0.401964  1
  Al  Al54  1  0.009134  0.776870  0.433348  1
  Al  Al55  1  0.995333  0.090442  0.415428  1
  Al  Al56  1  0.996294  0.482527  0.445367  1
  Al  Al57  1  0.996206  0.695636  0.384811  1
  Al  Al58  1  0.496585  0.991319  0.372956  1
  Al  Al59  1  0.495747  0.384894  0.401964  1
  Al  Al60  1  0.496472  0.776870  0.433348  1
  Al  Al61  1  0.010857  0.926611  0.424643  1
  Al  Al62  1  0.010754  0.140351  0.362358  1
  Al  Al63  1  0.011185  0.533177  0.392728  1
  Al  Al64  1  0.752803  0.844682  0.411126  1
  Al  Al65  1  0.752803  0.238158  0.439970  1
  Al  Al66  1  0.752803  0.452280  0.378938  1
  Al  Al67  1  0.252803  0.013985  0.433992  1
  Al  Al68  1  0.252803  0.226105  0.373391  1
  Al  Al69  1  0.252803  0.619291  0.402996  1
  Al  Al70  1  0.252803  0.171974  0.429115  1
  Al  Al71  1  0.252803  0.385508  0.368087  1
  Al  Al72  1  0.252803  0.776921  0.399674  1
  Al  Al73  1  0.752803  0.183125  0.496104  1
  Al  Al74  1  0.752803  0.575467  0.527122  1
  Al  Al75  1  0.752803  0.788505  0.466754  1
  Al  Al76  1  0.509922  0.024963  0.467218  1
  Al  Al77  1  0.509255  0.418370  0.497408  1
  Al  Al78  1  0.510101  0.810524  0.527979  1
  Al  Al79  1  0.995684  0.024963  0.467218  1
  Al  Al80  1  0.996350  0.418370  0.497408  1
  Al  Al81  1  0.995505  0.810524  0.527979  1
  Al  Al82  1  0.496220  0.106918  0.514622  1
  Al  Al83  1  0.496368  0.320611  0.453957  1
  Al  Al84  1  0.495927  0.712198  0.484922  1
  Al  Al85  1  0.509678  0.269870  0.506142  1
  Al  Al86  1  0.509237  0.661457  0.537107  1
  Al  Al87  1  0.509386  0.875151  0.476442  1
  Al  Al88  1  0.010101  0.171544  0.463085  1
  Al  Al89  1  0.009255  0.563698  0.493656  1
  Al  Al90  1  0.009922  0.957105  0.523846  1
  Al  Al91  1  0.995927  0.269870  0.506142  1
  Al  Al92  1  0.996368  0.661457  0.537107  1
  Al  Al93  1  0.996220  0.875151  0.476442  1
  Al  Al94  1  0.495505  0.171544  0.463085  1
  Al  Al95  1  0.496350  0.563698  0.493656  1
  Al  Al96  1  0.495684  0.957105  0.523846  1
  Al  Al97  1  0.009386  0.106918  0.514622  1
  Al  Al98  1  0.009237  0.320611  0.453957  1
  Al  Al99  1  0.009678  0.712198  0.484922  1
  Al  Al100  1  0.752803  0.024613  0.501248  1
  Al  Al101  1  0.752803  0.417595  0.531353  1
  Al  Al102  1  0.752803  0.630257  0.470526  1
  Al  Al103  1  0.252803  0.193564  0.524310  1
  Al  Al104  1  0.252803  0.406602  0.463942  1
  Al  Al105  1  0.252803  0.798943  0.494960  1
  Al  Al106  1  0.252803  0.351811  0.520538  1
  Al  Al107  1  0.252803  0.564473  0.459711  1
  Al  Al108  1  0.252803  0.957456  0.489816  1
  Al  Al109  1  0.752803  0.362777  0.588068  1
  Al  Al110  1  0.752803  0.755963  0.617673  1
  Al  Al111  1  0.752803  0.968083  0.557072  1
  Al  Al112  1  0.509134  0.205198  0.557716  1
  Al  Al113  1  0.509858  0.597174  0.589100  1
  Al  Al114  1  0.509020  0.990749  0.618108  1
  Al  Al115  1  0.996472  0.205198  0.557716  1
  Al  Al116  1  0.995747  0.597174  0.589100  1
  Al  Al117  1  0.996585  0.990749  0.618108  1
  Al  Al118  1  0.496206  0.286433  0.606253  1
  Al  Al119  1  0.496294  0.499541  0.545697  1
  Al  Al120  1  0.495333  0.891627  0.575636  1
  Al  Al121  1  0.511185  0.448891  0.598336  1
  Al  Al122  1  0.510754  0.841718  0.628706  1
  Al  Al123  1  0.510857  0.055458  0.566421  1
  Al  Al124  1  0.009215  0.351133  0.554473  1
  Al  Al125  1  0.009906  0.743023  0.585063  1
  Al  Al126  1  0.010251  0.137000  0.613634  1
  Al  Al127  1  0.994420  0.448891  0.598336  1
  Al  Al128  1  0.994852  0.841718  0.628706  1
  Al  Al129  1  0.994748  0.055458  0.566421  1
  Al  Al130  1  0.496391  0.351133  0.554473  1
  Al  Al131  1  0.495700  0.743023  0.585063  1
  Al  Al132  1  0.495354  0.137000  0.613634  1
  Al  Al133  1  0.009400  0.286433  0.606253  1
  Al  Al134  1  0.009312  0.499541  0.545697  1
  Al  Al135  1  0.010273  0.891627  0.575636  1
  Al  Al136  1  0.752803  0.205147  0.591390  1
  Al  Al137  1  0.752803  0.596561  0.622977  1
  Al  Al138  1  0.752803  0.810094  0.561949  1
  Al  Al139  1  0.252803  0.372991  0.615598  1
  Al  Al140  1  0.252803  0.585830  0.555871  1
  Al  Al141  1  0.252803  0.979752  0.584230  1
  Al  Al142  1  0.252803  0.529789  0.612126  1
  Al  Al143  1  0.252803  0.743911  0.551094  1
  Al  Al144  1  0.252803  0.137386  0.579937  1
  Al  Al145  1  0.752803  0.547843  0.678069  1
  Al  Al146  1  0.752803  0.943066  0.711221  1
  Al  Al147  1  0.752803  0.147944  0.646057  1
  Al  Al148  1  0.508425  0.383454  0.650422  1
  Al  Al149  1  0.509705  0.780373  0.681236  1
  Al  Al150  1  0.584975  0.165787  0.716836  1
  Al  Al151  1  0.997180  0.383454  0.650422  1
  Al  Al152  1  0.995901  0.780373  0.681236  1
  Al  Al153  1  0.920631  0.165787  0.716836  1
  Al  Al154  1  0.511423  0.466604  0.701718  1
  Al  Al155  1  0.496797  0.678980  0.637262  1
  Al  Al156  1  0.492422  0.077257  0.665054  1
  Al  Al157  1  0.493251  0.633329  0.690771  1
  Al  Al158  1  0.471598  0.025160  0.716534  1
  Al  Al159  1  0.503442  0.229950  0.658148  1
  Al  Al160  1  0.008742  0.530346  0.646893  1
  Al  Al161  1  1.002036  0.926174  0.676405  1
  Al  Al162  1  0.007483  0.310722  0.707760  1
  Al  Al163  1  0.012355  0.633329  0.690771  1
  Al  Al164  1  0.034008  0.025160  0.716534  1
  Al  Al165  1  1.002164  0.229950  0.658148  1
  Al  Al166  1  0.496863  0.530346  0.646893  1
  Al  Al167  1  0.503569  0.926174  0.676405  1
  Al  Al168  1  0.498123  0.310722  0.707760  1
  Al  Al169  1  0.994182  0.466604  0.701718  1
  Al  Al170  1  0.008809  0.678980  0.637262  1
  Al  Al171  1  0.013184  0.077257  0.665054  1
  Al  Al172  1  0.752803  0.381774  0.683163  1
  Al  Al173  1  0.752803  0.790023  0.713516  1
  Al  Al174  1  0.752803  0.988291  0.650780  1
  Al  Al175  1  0.252803  0.544676  0.705729  1
  Al  Al176  1  0.252803  0.763159  0.645192  1
  Al  Al177  1  0.252803  0.153995  0.686287  1
  Al  Al178  1  0.252803  0.728676  0.706147  1
  Al  Al179  1  0.252803  0.923642  0.638305  1
  Al  Al180  1  0.252803  0.308955  0.668339  1
  Ni  Ni181  1  0.752803  0.912360  0.358375  1
  Ni  Ni182  1  0.752803  0.122435  0.305843  1
  Ni  Ni183  1  0.752803  0.521511  0.329600  1
  Ni  Ni184  1  0.752803  0.582818  0.285143  1
  Ni  Ni185  1  0.752803  0.977212  0.309936  1
  Ni  Ni186  1  0.752803  0.369970  0.334681  1
  Ni  Ni187  1  0.252803  0.740673  0.305544  1
  Ni  Ni188  1  0.252803  0.135339  0.329643  1
  Ni  Ni189  1  0.252803  0.329695  0.278543  1
  Ni  Ni190  1  0.252803  0.907749  0.298954  1
  Ni  Ni191  1  0.252803  0.281409  0.324664  1
  Ni  Ni192  1  0.252803  0.680772  0.353294  1
  Ni  Ni193  1  0.752803  0.093629  0.448533  1
  Ni  Ni194  1  0.752803  0.308180  0.387423  1
  Ni  Ni195  1  0.752803  0.699311  0.417885  1
  Ni  Ni196  1  0.752803  0.764504  0.366046  1
  Ni  Ni197  1  0.752803  0.156323  0.395097  1
  Ni  Ni198  1  0.752803  0.548347  0.425308  1
  Ni  Ni199  1  0.252803  0.923219  0.391479  1
  Ni  Ni200  1  0.252803  0.316863  0.421133  1
  Ni  Ni201  1  0.252803  0.530871  0.359297  1
  Ni  Ni202  1  0.252803  0.075803  0.383972  1
  Ni  Ni203  1  0.252803  0.467160  0.413215  1
  Ni  Ni204  1  0.252803  0.859390  0.444413  1
  Ni  Ni205  1  0.752803  0.273006  0.538941  1
  Ni  Ni206  1  0.752803  0.485673  0.478175  1
  Ni  Ni207  1  0.752803  0.879117  0.509149  1
  Ni  Ni208  1  0.752803  0.941643  0.456723  1
  Ni  Ni209  1  0.752803  0.336189  0.486060  1
  Ni  Ni210  1  0.752803  0.727554  0.517067  1
  Ni  Ni211  1  0.252803  0.102952  0.481915  1
  Ni  Ni212  1  0.252803  0.496396  0.512889  1
  Ni  Ni213  1  0.252803  0.709063  0.452123  1
  Ni  Ni214  1  0.252803  0.254515  0.473997  1
  Ni  Ni215  1  0.252803  0.645879  0.505004  1
  Ni  Ni216  1  0.252803  0.040425  0.534341  1
  Ni  Ni217  1  0.752803  0.451197  0.631767  1
  Ni  Ni218  1  0.752803  0.665206  0.569931  1
  Ni  Ni219  1  0.752803  0.058849  0.599585  1
  Ni  Ni220  1  0.752803  0.122678  0.546651  1
  Ni  Ni221  1  0.752803  0.514908  0.577849  1
  Ni  Ni222  1  0.752803  0.906266  0.607092  1
  Ni  Ni223  1  0.252803  0.282757  0.573179  1
  Ni  Ni224  1  0.252803  0.673889  0.603640  1
  Ni  Ni225  1  0.252803  0.888440  0.542531  1
  Ni  Ni226  1  0.252803  0.433722  0.565756  1
  Ni  Ni227  1  0.252803  0.825745  0.595967  1
  Ni  Ni228  1  0.252803  0.217564  0.625018  1
  Ni  Ni229  1  0.752803  0.652373  0.712521  1
  Ni  Ni230  1  0.752803  0.846729  0.661421  1
  Ni  Ni231  1  0.752803  0.241395  0.685520  1
  Ni  Ni232  1  0.752803  0.301296  0.637770  1
  Ni  Ni233  1  0.752803  0.700659  0.666400  1
  Ni  Ni234  1  0.752803  0.074319  0.692110  1
  Ni  Ni235  1  0.252803  0.460558  0.661464  1
  Ni  Ni236  1  0.252803  0.859633  0.685221  1
  Ni  Ni237  1  0.252803  0.069709  0.632689  1
  Ni  Ni238  1  0.252803  0.612098  0.656383  1
  Ni  Ni239  1  0.252803  0.004856  0.681128  1
  Ni  Ni240  1  0.252803  0.399251  0.705921  1
