# generated using pymatgen
data_Al3Ni5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.79473150
_cell_length_b   12.92634751
_cell_length_c   48.86890140
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.94780232
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al3Ni5
_chemical_formula_sum   'Al90 Ni150'
_cell_volume   5882.7244995
_cell_formula_units_Z   30
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  0.278531  0.464742  0.317847  1
  Al  Al2  1  0.162004  0.744225  0.350628  1
  Al  Al3  1  0.396177  0.172238  0.286586  1
  Al  Al4  1  0.400100  0.561241  0.359518  1
  Al  Al5  1  0.630923  0.992857  0.298889  1
  Al  Al6  1  0.518208  0.276561  0.329286  1
  Al  Al7  1  0.041816  0.643783  0.309565  1
  Al  Al8  1  0.926844  0.927316  0.340987  1
  Al  Al9  1  0.161268  0.363987  0.279411  1
  Al  Al10  1  0.778962  0.461023  0.320276  1
  Al  Al11  1  0.663518  0.743301  0.350114  1
  Al  Al12  1  0.896724  0.174288  0.286436  1
  Al  Al13  1  0.900081  0.561228  0.359526  1
  Al  Al14  1  0.130505  0.994082  0.298797  1
  Al  Al15  1  0.017666  0.276990  0.329222  1
  Al  Al16  1  0.538748  0.644784  0.310397  1
  Al  Al17  1  0.427257  0.927282  0.340884  1
  Al  Al18  1  0.660630  0.360598  0.279605  1
  Al  Al19  1  0.933698  0.308075  0.410317  1
  Al  Al20  1  0.818414  0.590167  0.440776  1
  Al  Al21  1  0.047517  0.026659  0.379995  1
  Al  Al22  1  0.053656  0.407557  0.450322  1
  Al  Al23  1  0.284084  0.843612  0.389956  1
  Al  Al24  1  0.168580  0.125401  0.420114  1
  Al  Al25  1  0.698773  0.490748  0.400789  1
  Al  Al26  1  0.582380  0.773476  0.431204  1
  Al  Al27  1  0.814294  0.208256  0.370146  1
  Al  Al28  1  0.433228  0.308754  0.409969  1
  Al  Al29  1  0.318450  0.590081  0.440742  1
  Al  Al30  1  0.547485  0.026754  0.379939  1
  Al  Al31  1  0.553586  0.407500  0.450264  1
  Al  Al32  1  0.784399  0.842854  0.389805  1
  Al  Al33  1  0.668286  0.125708  0.420131  1
  Al  Al34  1  0.199007  0.490621  0.400480  1
  Al  Al35  1  0.082381  0.773274  0.431231  1
  Al  Al36  1  0.314148  0.209206  0.369969  1
  Al  Al37  1  0.586586  0.154971  0.501279  1
  Al  Al38  1  0.471056  0.436697  0.531722  1
  Al  Al39  1  0.702380  0.872774  0.471039  1
  Al  Al40  1  0.706791  0.254199  0.541275  1
  Al  Al41  1  0.938151  0.689627  0.480654  1
  Al  Al42  1  0.822555  0.971925  0.510983  1
  Al  Al43  1  0.350938  0.337560  0.491709  1
  Al  Al44  1  0.235019  0.620040  0.522051  1
  Al  Al45  1  0.466521  0.055683  0.461440  1
  Al  Al46  1  0.086648  0.154967  0.501241  1
  Al  Al47  1  0.971194  0.436926  0.531634  1
  Al  Al48  1  0.202298  0.872711  0.471055  1
  Al  Al49  1  0.206954  0.254148  0.541235  1
  Al  Al50  1  0.438142  0.689652  0.480650  1
  Al  Al51  1  0.322636  0.971873  0.510961  1
  Al  Al52  1  0.850949  0.337603  0.491684  1
  Al  Al53  1  0.735096  0.620136  0.522034  1
  Al  Al54  1  0.966423  0.055646  0.461480  1
  Al  Al55  1  0.239555  0.002276  0.591932  1
  Al  Al56  1  0.125917  0.283082  0.622635  1
  Al  Al57  1  0.354712  0.719481  0.561920  1
  Al  Al58  1  0.359182  0.101622  0.632664  1
  Al  Al59  1  0.591189  0.535975  0.571385  1
  Al  Al60  1  0.474892  0.818690  0.601950  1
  Al  Al61  1  0.004896  0.184074  0.582478  1
  Al  Al62  1  0.889178  0.466249  0.612652  1
  Al  Al63  1  0.119561  0.902389  0.552389  1
  Al  Al64  1  0.740042  0.001571  0.592340  1
  Al  Al65  1  0.625759  0.282386  0.622863  1
  Al  Al66  1  0.854381  0.719718  0.562200  1
  Al  Al67  1  0.859306  0.101056  0.632679  1
  Al  Al68  1  0.090829  0.536571  0.571521  1
  Al  Al69  1  0.974712  0.818916  0.602140  1
  Al  Al70  1  0.505270  0.183274  0.582651  1
  Al  Al71  1  0.388432  0.466977  0.612905  1
  Al  Al72  1  0.619620  0.902372  0.552643  1
  Al  Al73  1  0.899286  0.848361  0.682871  1
  Al  Al74  1  0.776754  0.136777  0.716359  1
  Al  Al75  1  0.009156  0.566444  0.652570  1
  Al  Al76  1  0.014123  0.944349  0.722956  1
  Al  Al77  1  0.246622  0.382823  0.661577  1
  Al  Al78  1  0.132209  0.668231  0.693957  1
  Al  Al79  1  0.655758  0.031686  0.673609  1
  Al  Al80  1  0.542764  0.317468  0.703839  1
  Al  Al81  1  0.773197  0.749186  0.643771  1
  Al  Al82  1  0.400192  0.852332  0.680504  1
  Al  Al83  1  0.274908  0.137631  0.716481  1
  Al  Al84  1  0.508791  0.565751  0.652436  1
  Al  Al85  1  0.509758  0.953284  0.723569  1
  Al  Al86  1  0.746530  0.382244  0.661639  1
  Al  Al87  1  0.634592  0.663197  0.692266  1
  Al  Al88  1  0.155913  0.033158  0.673213  1
  Al  Al89  1  0.042838  0.316574  0.703773  1
  Al  Al90  1  0.273914  0.748852  0.643006  1
  Ni  Ni91  1  0.439551  0.535300  0.276514  1
  Ni  Ni92  1  0.333615  0.820523  0.304568  1
  Ni  Ni93  1  0.222913  0.102458  0.334570  1
  Ni  Ni94  1  0.858938  0.384379  0.364874  1
  Ni  Ni95  1  0.084079  0.819328  0.304959  1
  Ni  Ni96  1  0.972577  0.102789  0.333852  1
  Ni  Ni97  1  0.530260  0.459284  0.320281  1
  Ni  Ni98  1  0.412415  0.744579  0.350213  1
  Ni  Ni99  1  0.645941  0.176289  0.289245  1
  Ni  Ni100  1  0.295831  0.641786  0.314380  1
  Ni  Ni101  1  0.184616  0.920354  0.344486  1
  Ni  Ni102  1  0.421025  0.349752  0.283993  1
  Ni  Ni103  1  0.143338  0.566857  0.355053  1
  Ni  Ni104  1  0.375041  0.997966  0.295148  1
  Ni  Ni105  1  0.262000  0.284467  0.324264  1
  Ni  Ni106  1  0.954520  0.536923  0.275777  1
  Ni  Ni107  1  0.833348  0.819412  0.304447  1
  Ni  Ni108  1  0.722830  0.101355  0.334870  1
  Ni  Ni109  1  0.700121  0.538399  0.275439  1
  Ni  Ni110  1  0.584553  0.818552  0.304641  1
  Ni  Ni111  1  0.472547  0.102677  0.333845  1
  Ni  Ni112  1  0.029110  0.459243  0.320545  1
  Ni  Ni113  1  0.913356  0.743628  0.349764  1
  Ni  Ni114  1  0.144705  0.179112  0.289009  1
  Ni  Ni115  1  0.796457  0.638574  0.313558  1
  Ni  Ni116  1  0.684753  0.919617  0.344506  1
  Ni  Ni117  1  0.916323  0.355983  0.284029  1
  Ni  Ni118  1  0.641984  0.567679  0.355668  1
  Ni  Ni119  1  0.875200  0.998432  0.295227  1
  Ni  Ni120  1  0.762032  0.282461  0.324467  1
  Ni  Ni121  1  0.109156  0.383783  0.365079  1
  Ni  Ni122  1  0.992123  0.667078  0.395081  1
  Ni  Ni123  1  0.875195  0.949363  0.425812  1
  Ni  Ni124  1  0.509572  0.231892  0.455755  1
  Ni  Ni125  1  0.741653  0.666929  0.395405  1
  Ni  Ni126  1  0.625388  0.949727  0.425504  1
  Ni  Ni127  1  0.183742  0.307678  0.410459  1
  Ni  Ni128  1  0.068599  0.590279  0.440549  1
  Ni  Ni129  1  0.297439  0.026696  0.380339  1
  Ni  Ni130  1  0.956044  0.484295  0.404728  1
  Ni  Ni131  1  0.839827  0.766488  0.435075  1
  Ni  Ni132  1  0.071384  0.201824  0.374419  1
  Ni  Ni133  1  0.796435  0.413959  0.446365  1
  Ni  Ni134  1  0.026376  0.850438  0.386166  1
  Ni  Ni135  1  0.911229  0.132048  0.416093  1
  Ni  Ni136  1  0.609474  0.383937  0.364968  1
  Ni  Ni137  1  0.491517  0.667317  0.395377  1
  Ni  Ni138  1  0.375437  0.949571  0.425693  1
  Ni  Ni139  1  0.358279  0.385962  0.363872  1
  Ni  Ni140  1  0.241715  0.666946  0.395447  1
  Ni  Ni141  1  0.125184  0.949675  0.425618  1
  Ni  Ni142  1  0.683873  0.307839  0.410363  1
  Ni  Ni143  1  0.568406  0.590380  0.440682  1
  Ni  Ni144  1  0.797221  0.026122  0.380549  1
  Ni  Ni145  1  0.455919  0.484390  0.404632  1
  Ni  Ni146  1  0.339661  0.766656  0.435157  1
  Ni  Ni147  1  0.571151  0.201984  0.374409  1
  Ni  Ni148  1  0.296474  0.413860  0.446262  1
  Ni  Ni149  1  0.527058  0.850100  0.385974  1
  Ni  Ni150  1  0.411176  0.132501  0.416000  1
  Ni  Ni151  1  0.759803  0.231511  0.455915  1
  Ni  Ni152  1  0.644374  0.513800  0.486110  1
  Ni  Ni153  1  0.528971  0.795974  0.516533  1
  Ni  Ni154  1  0.163712  0.078367  0.546585  1
  Ni  Ni155  1  0.394392  0.513531  0.486227  1
  Ni  Ni156  1  0.278899  0.796016  0.516477  1
  Ni  Ni157  1  0.836571  0.154783  0.501406  1
  Ni  Ni158  1  0.721173  0.437118  0.531476  1
  Ni  Ni159  1  0.952390  0.872580  0.471121  1
  Ni  Ni160  1  0.608112  0.331214  0.495646  1
  Ni  Ni161  1  0.492394  0.613240  0.525956  1
  Ni  Ni162  1  0.723682  0.049031  0.465406  1
  Ni  Ni163  1  0.449736  0.260351  0.537346  1
  Ni  Ni164  1  0.680872  0.696434  0.476720  1
  Ni  Ni165  1  0.565276  0.978540  0.507126  1
  Ni  Ni166  1  0.259834  0.231365  0.455967  1
  Ni  Ni167  1  0.144348  0.513798  0.486112  1
  Ni  Ni168  1  0.028924  0.795978  0.516541  1
  Ni  Ni169  1  0.009788  0.231660  0.455836  1
  Ni  Ni170  1  0.894338  0.513642  0.486242  1
  Ni  Ni171  1  0.778802  0.796105  0.516599  1
  Ni  Ni172  1  0.336749  0.154547  0.501483  1
  Ni  Ni173  1  0.220979  0.437161  0.531561  1
  Ni  Ni174  1  0.452397  0.872660  0.471098  1
  Ni  Ni175  1  0.108212  0.331185  0.495651  1
  Ni  Ni176  1  0.992152  0.613559  0.526051  1
  Ni  Ni177  1  0.223860  0.048887  0.465395  1
  Ni  Ni178  1  0.949629  0.260663  0.537225  1
  Ni  Ni179  1  0.180890  0.696289  0.476714  1
  Ni  Ni180  1  0.065162  0.978619  0.507037  1
  Ni  Ni181  1  0.413809  0.077597  0.547092  1
  Ni  Ni182  1  0.297860  0.360453  0.576908  1
  Ni  Ni183  1  0.181976  0.642697  0.607427  1
  Ni  Ni184  1  0.814765  0.925116  0.638045  1
  Ni  Ni185  1  0.048045  0.360052  0.577077  1
  Ni  Ni186  1  0.931657  0.642917  0.607518  1
  Ni  Ni187  1  0.489581  1.000760  0.593034  1
  Ni  Ni188  1  0.376091  0.283633  0.622083  1
  Ni  Ni189  1  0.604737  0.719385  0.561983  1
  Ni  Ni190  1  0.262160  0.177876  0.586616  1
  Ni  Ni191  1  0.146041  0.459931  0.616678  1
  Ni  Ni192  1  0.377147  0.895399  0.556276  1
  Ni  Ni193  1  0.102059  0.107711  0.628100  1
  Ni  Ni194  1  0.333617  0.543084  0.567575  1
  Ni  Ni195  1  0.217053  0.825892  0.597954  1
  Ni  Ni196  1  0.913689  0.078002  0.546901  1
  Ni  Ni197  1  0.797864  0.360293  0.576855  1
  Ni  Ni198  1  0.682718  0.642308  0.607129  1
  Ni  Ni199  1  0.663890  0.078124  0.546734  1
  Ni  Ni200  1  0.547710  0.359649  0.577295  1
  Ni  Ni201  1  0.432393  0.642561  0.607118  1
  Ni  Ni202  1  0.989606  0.001493  0.592572  1
  Ni  Ni203  1  0.875988  0.283310  0.622132  1
  Ni  Ni204  1  0.104617  0.719545  0.562054  1
  Ni  Ni205  1  0.762129  0.177570  0.586671  1
  Ni  Ni206  1  0.646197  0.459359  0.616618  1
  Ni  Ni207  1  0.877061  0.895593  0.556370  1
  Ni  Ni208  1  0.602472  0.106527  0.628445  1
  Ni  Ni209  1  0.833875  0.543058  0.567470  1
  Ni  Ni210  1  0.716964  0.825734  0.598496  1
  Ni  Ni211  1  0.064119  0.924796  0.638378  1
  Ni  Ni212  1  0.950922  0.208128  0.667856  1
  Ni  Ni213  1  0.840837  0.489595  0.697777  1
  Ni  Ni214  1  0.465197  0.775803  0.725485  1
  Ni  Ni215  1  0.701005  0.206645  0.669009  1
  Ni  Ni216  1  0.589881  0.490245  0.697664  1
  Ni  Ni217  1  0.151161  0.848165  0.683294  1
  Ni  Ni218  1  0.027880  0.131423  0.713464  1
  Ni  Ni219  1  0.258277  0.566674  0.652981  1
  Ni  Ni220  1  0.911297  0.027605  0.678384  1
  Ni  Ni221  1  0.798853  0.311530  0.707432  1
  Ni  Ni222  1  0.032126  0.741542  0.647316  1
  Ni  Ni223  1  0.753975  0.956175  0.718540  1
  Ni  Ni224  1  0.989016  0.389714  0.658017  1
  Ni  Ni225  1  0.875792  0.671322  0.689542  1
  Ni  Ni226  1  0.563856  0.923568  0.639288  1
  Ni  Ni227  1  0.451093  0.209125  0.667702  1
  Ni  Ni228  1  0.340660  0.491600  0.698074  1
  Ni  Ni229  1  0.313673  0.926602  0.637056  1
  Ni  Ni230  1  0.200897  0.207757  0.668800  1
  Ni  Ni231  1  0.090482  0.490794  0.697502  1
  Ni  Ni232  1  0.648001  0.846067  0.685218  1
  Ni  Ni233  1  0.527446  0.134871  0.713316  1
  Ni  Ni234  1  0.760484  0.565129  0.652296  1
  Ni  Ni235  1  0.410513  0.030378  0.678482  1
  Ni  Ni236  1  0.298469  0.312450  0.707343  1
  Ni  Ni237  1  0.533153  0.739813  0.646681  1
  Ni  Ni238  1  0.257357  0.954015  0.717776  1
  Ni  Ni239  1  0.488605  0.390032  0.658151  1
  Ni  Ni240  1  0.376022  0.673536  0.688820  1
