# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.09997587
_cell_length_b   8.82946966
_cell_length_c   47.19486276
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.63798485
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7071.06096228
_cell_formula_units_Z   8
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
  Zr  Zr1  1  0.531796  0.178993  0.327004  1
  Zr  Zr2  1  0.120466  0.245717  0.381870  1
  Zr  Zr3  1  0.989630  0.601411  0.286603  1
  Zr  Zr4  1  0.581389  0.685881  0.340096  1
  Zr  Zr5  1  0.198704  0.752350  0.282736  1
  Zr  Zr6  1  0.772181  0.846286  0.330501  1
  Zr  Zr7  1  0.341904  0.015543  0.327307  1
  Zr  Zr8  1  0.923107  0.081029  0.383724  1
  Zr  Zr9  1  0.416837  0.467862  0.385312  1
  Zr  Zr10  1  0.832386  0.372998  0.328989  1
  Zr  Zr11  1  0.283718  0.464892  0.334109  1
  Zr  Zr12  1  0.694570  0.382138  0.282131  1
  Zr  Zr13  1  0.085742  0.096686  0.318945  1
  Zr  Zr14  1  0.670413  0.187897  0.373918  1
  Zr  Zr15  1  0.442021  0.673231  0.291737  1
  Zr  Zr16  1  0.030073  0.736645  0.348153  1
  Zr  Zr17  1  0.705424  0.330545  0.437774  1
  Zr  Zr18  1  0.290572  0.410135  0.493465  1
  Zr  Zr19  1  0.165240  0.758536  0.395536  1
  Zr  Zr20  1  0.752288  0.842344  0.449995  1
  Zr  Zr21  1  0.359358  0.921244  0.390280  1
  Zr  Zr22  1  0.946770  0.004232  0.446723  1
  Zr  Zr23  1  0.510521  0.170228  0.440975  1
  Zr  Zr24  1  0.096042  0.248957  0.496480  1
  Zr  Zr25  1  0.589274  0.628532  0.496129  1
  Zr  Zr26  1  1.002879  0.542483  0.440835  1
  Zr  Zr27  1  0.454315  0.627924  0.447554  1
  Zr  Zr28  1  0.868187  0.541264  0.392082  1
  Zr  Zr29  1  0.256930  0.264336  0.429681  1
  Zr  Zr30  1  0.842382  0.345790  0.486004  1
  Zr  Zr31  1  0.614868  0.826879  0.402559  1
  Zr  Zr32  1  0.200690  0.905165  0.458229  1
  Zr  Zr33  1  0.876548  0.492345  0.549702  1
  Zr  Zr34  1  0.463027  0.575460  0.603812  1
  Zr  Zr35  1  0.338087  0.923647  0.505718  1
  Zr  Zr36  1  0.923551  0.004490  0.562055  1
  Zr  Zr37  1  0.532988  0.085167  0.503085  1
  Zr  Zr38  1  0.118047  0.164436  0.558710  1
  Zr  Zr39  1  0.682043  0.330231  0.552885  1
  Zr  Zr40  1  0.268192  0.411643  0.608507  1
  Zr  Zr41  1  0.760361  0.793373  0.607409  1
  Zr  Zr42  1  0.174140  0.706724  0.552025  1
  Zr  Zr43  1  0.625813  0.791806  0.558703  1
  Zr  Zr44  1  0.039684  0.705970  0.503471  1
  Zr  Zr45  1  0.427649  0.428817  0.541140  1
  Zr  Zr46  1  0.013599  0.508776  0.597281  1
  Zr  Zr47  1  0.786924  0.988429  0.513718  1
  Zr  Zr48  1  0.371874  0.069385  0.569453  1
  Zr  Zr49  1  0.047021  0.652346  0.660111  1
  Zr  Zr50  1  0.637753  0.733812  0.712865  1
  Zr  Zr51  1  0.508210  0.089110  0.617412  1
  Zr  Zr52  1  0.098190  0.159618  0.672130  1
  Zr  Zr53  1  0.705826  0.254219  0.615920  1
  Zr  Zr54  1  0.286127  0.325012  0.671690  1
  Zr  Zr55  1  0.856402  0.486355  0.669312  1
  Zr  Zr56  1  0.430047  0.582327  0.716843  1
  Zr  Zr57  1  0.924558  0.949906  0.716618  1
  Zr  Zr58  1  0.345335  0.869461  0.664535  1
  Zr  Zr59  1  0.794916  0.961886  0.670145  1
  Zr  Zr60  1  0.211207  0.867836  0.614154  1
  Zr  Zr61  1  0.597770  0.598686  0.651237  1
  Zr  Zr62  1  0.186216  0.670355  0.707408  1
  Zr  Zr63  1  0.958862  0.146854  0.626120  1
  Zr  Zr64  1  0.542214  0.238297  0.680400  1
  Ni  Ni65  1  0.055406  0.424131  0.332493  1
  Ni  Ni66  1  0.491270  0.360885  0.277092  1
  Ni  Ni67  1  0.395068  0.234243  0.299846  1
  Ni  Ni68  1  0.971207  0.299728  0.356716  1
  Ni  Ni69  1  0.140677  0.547204  0.307125  1
  Ni  Ni70  1  0.733054  0.627860  0.362303  1
  Ni  Ni71  1  0.486947  0.929664  0.312084  1
  Ni  Ni72  1  0.067928  0.001862  0.369093  1
  Ni  Ni73  1  0.045845  0.846492  0.298776  1
  Ni  Ni74  1  0.632465  0.931344  0.352983  1
  Ni  Ni75  1  0.400617  0.220189  0.353939  1
  Ni  Ni76  1  0.811566  0.118674  0.299164  1
  Ni  Ni77  1  0.296302  0.715336  0.367140  1
  Ni  Ni78  1  0.709672  0.626094  0.310151  1
  Ni  Ni79  1  0.269979  0.222685  0.372591  1
  Ni  Ni80  1  0.677471  0.150323  0.316574  1
  Ni  Ni81  1  0.198711  0.258750  0.326855  1
  Ni  Ni82  1  0.785855  0.337610  0.382829  1
  Ni  Ni83  1  0.342136  0.510862  0.281437  1
  Ni  Ni84  1  0.910687  0.584938  0.337097  1
  Ni  Ni85  1  0.307637  0.744302  0.318497  1
  Ni  Ni86  1  0.888458  0.819879  0.371063  1
  Ni  Ni87  1  0.221860  0.017207  0.295582  1
  Ni  Ni88  1  0.806439  0.098841  0.349296  1
  Ni  Ni89  1  0.167721  0.773673  0.336018  1
  Ni  Ni90  1  0.584953  0.682931  0.282511  1
  Ni  Ni91  1  0.531271  0.155740  0.385363  1
  Ni  Ni92  1  0.945077  0.076617  0.328110  1
  Ni  Ni93  1  0.216040  0.986868  0.351929  1
  Ni  Ni94  1  0.629810  0.908359  0.300945  1
  Ni  Ni95  1  0.483541  0.947748  0.367092  1
  Ni  Ni96  1  0.903468  0.857924  0.316480  1
  Ni  Ni97  1  0.157648  0.495946  0.362989  1
  Ni  Ni98  1  0.571755  0.436104  0.310555  1
  Ni  Ni99  1  0.543822  0.433182  0.358822  1
  Ni  Ni100  1  0.961997  0.340368  0.301648  1
  Ni  Ni101  1  0.426828  0.463742  0.325664  1
  Ni  Ni102  1  0.008649  0.530021  0.382094  1
  Ni  Ni103  1  0.107773  0.310257  0.284864  1
  Ni  Ni104  1  0.692113  0.391919  0.339100  1
  Ni  Ni105  1  0.431774  0.713835  0.346762  1
  Ni  Ni106  1  0.840455  0.598283  0.290514  1
  Ni  Ni107  1  0.228430  0.583838  0.444230  1
  Ni  Ni108  1  0.644701  0.507405  0.388426  1
  Ni  Ni109  1  0.556620  0.386475  0.413251  1
  Ni  Ni110  1  0.141887  0.464448  0.468711  1
  Ni  Ni111  1  0.314696  0.705804  0.419835  1
  Ni  Ni112  1  0.901717  0.787266  0.475037  1
  Ni  Ni113  1  0.653586  0.085797  0.424582  1
  Ni  Ni114  1  0.239147  0.165893  0.480518  1
  Ni  Ni115  1  0.217954  0.002661  0.407524  1
  Ni  Ni116  1  0.804010  0.086014  0.463080  1
  Ni  Ni117  1  0.573559  0.376334  0.466221  1
  Ni  Ni118  1  0.986940  0.288280  0.410408  1
  Ni  Ni119  1  0.470043  0.880182  0.477414  1
  Ni  Ni120  1  0.882955  0.795106  0.421841  1
  Ni  Ni121  1  0.440160  0.386281  0.485236  1
  Ni  Ni122  1  0.854112  0.303154  0.429445  1
  Ni  Ni123  1  0.370848  0.420530  0.438742  1
  Ni  Ni124  1  0.956628  0.500960  0.494810  1
  Ni  Ni125  1  0.500180  0.673748  0.393802  1
  Ni  Ni126  1  0.085406  0.749961  0.449438  1
  Ni  Ni127  1  0.475967  0.911109  0.426944  1
  Ni  Ni128  1  0.062592  0.987034  0.483153  1
  Ni  Ni129  1  0.393866  0.184051  0.404670  1
  Ni  Ni130  1  0.980064  0.264013  0.460932  1
  Ni  Ni131  1  0.339439  0.938723  0.446627  1
  Ni  Ni132  1  0.753737  0.860128  0.389614  1
  Ni  Ni133  1  0.703426  0.315898  0.496804  1
  Ni  Ni134  1  0.117478  0.234069  0.440486  1
  Ni  Ni135  1  0.385289  0.150480  0.463957  1
  Ni  Ni136  1  0.799307  0.068392  0.409204  1
  Ni  Ni137  1  0.657828  0.104317  0.479490  1
  Ni  Ni138  1  0.072578  0.020048  0.423699  1
  Ni  Ni139  1  0.327482  0.661064  0.474925  1
  Ni  Ni140  1  0.741966  0.581939  0.418877  1
  Ni  Ni141  1  0.716022  0.591339  0.468841  1
  Ni  Ni142  1  0.129579  0.507783  0.413265  1
  Ni  Ni143  1  0.595538  0.619566  0.437219  1
  Ni  Ni144  1  0.180199  0.697922  0.493083  1
  Ni  Ni145  1  0.276416  0.471000  0.394548  1
  Ni  Ni146  1  0.862041  0.552719  0.451018  1
  Ni  Ni147  1  0.603187  0.868886  0.458305  1
  Ni  Ni148  1  0.015068  0.781761  0.403216  1
  Ni  Ni149  1  0.400148  0.749778  0.555076  1
  Ni  Ni150  1  0.814569  0.667250  0.499825  1
  Ni  Ni151  1  0.727381  0.547144  0.524589  1
  Ni  Ni152  1  0.313627  0.628146  0.579466  1
  Ni  Ni153  1  0.486751  0.869598  0.530670  1
  Ni  Ni154  1  0.071894  0.948805  0.586714  1
  Ni  Ni155  1  0.824909  0.248540  0.536632  1
  Ni  Ni156  1  0.410089  0.331411  0.591754  1
  Ni  Ni157  1  0.389557  0.167837  0.518622  1
  Ni  Ni158  1  0.975205  0.249376  0.575273  1
  Ni  Ni159  1  0.745738  0.539373  0.577804  1
  Ni  Ni160  1  0.158709  0.454328  0.521991  1
  Ni  Ni161  1  0.641881  0.046640  0.589096  1
  Ni  Ni162  1  0.055277  0.958278  0.533521  1
  Ni  Ni163  1  0.613362  0.552651  0.596284  1
  Ni  Ni164  1  0.025579  0.466019  0.541310  1
  Ni  Ni165  1  0.543258  0.584277  0.550012  1
  Ni  Ni166  1  0.128044  0.662041  0.605996  1
  Ni  Ni167  1  0.672419  0.833287  0.504805  1
  Ni  Ni168  1  0.257788  0.913353  0.560572  1
  Ni  Ni169  1  0.648960  0.070276  0.538598  1
  Ni  Ni170  1  0.234903  0.149620  0.594428  1
  Ni  Ni171  1  0.566123  0.347129  0.516443  1
  Ni  Ni172  1  0.151711  0.424938  0.572454  1
  Ni  Ni173  1  0.511386  0.099964  0.558943  1
  Ni  Ni174  1  0.925632  0.018684  0.502899  1
  Ni  Ni175  1  0.875001  0.474246  0.610098  1
  Ni  Ni176  1  0.288817  0.395502  0.552520  1
  Ni  Ni177  1  0.555922  0.314285  0.575631  1
  Ni  Ni178  1  0.971272  0.230396  0.520334  1
  Ni  Ni179  1  0.829692  0.266369  0.590489  1
  Ni  Ni180  1  0.243126  0.183453  0.535267  1
  Ni  Ni181  1  0.498973  0.826345  0.586078  1
  Ni  Ni182  1  0.913088  0.743120  0.530810  1
  Ni  Ni183  1  0.886721  0.753139  0.580682  1
  Ni  Ni184  1  0.301011  0.672921  0.524392  1
  Ni  Ni185  1  0.766777  0.781860  0.548612  1
  Ni  Ni186  1  0.352028  0.863310  0.604646  1
  Ni  Ni187  1  0.448594  0.635939  0.506341  1
  Ni  Ni188  1  0.033108  0.715455  0.562543  1
  Ni  Ni189  1  0.774825  0.031644  0.570225  1
  Ni  Ni190  1  0.188358  0.947721  0.514177  1
  Ni  Ni191  1  0.572440  0.910899  0.666967  1
  Ni  Ni192  1  0.984081  0.827967  0.611438  1
  Ni  Ni193  1  0.895401  0.706908  0.637177  1
  Ni  Ni194  1  0.486394  0.788888  0.692344  1
  Ni  Ni195  1  0.656768  0.035102  0.642738  1
  Ni  Ni196  1  0.238454  0.104759  0.698436  1
  Ni  Ni197  1  0.995928  0.405377  0.647098  1
  Ni  Ni198  1  0.581788  0.489133  0.700572  1
  Ni  Ni199  1  0.560765  0.332990  0.630274  1
  Ni  Ni200  1  0.141549  0.408564  0.688224  1
  Ni  Ni201  1  0.917503  0.703839  0.688949  1
  Ni  Ni202  1  0.331549  0.618255  0.631937  1
  Ni  Ni203  1  0.815053  0.219568  0.700620  1
  Ni  Ni204  1  0.228887  0.116285  0.645023  1
  Ni  Ni205  1  0.787132  0.738129  0.709286  1
  Ni  Ni206  1  0.196819  0.623380  0.652693  1
  Ni  Ni207  1  0.717864  0.749666  0.662540  1
  Ni  Ni208  1  0.292643  0.825668  0.716288  1
  Ni  Ni209  1  0.843211  0.996978  0.616765  1
  Ni  Ni210  1  0.428525  0.077368  0.672526  1
  Ni  Ni211  1  0.822412  0.234169  0.650568  1
  Ni  Ni212  1  0.406451  0.318654  0.703647  1
  Ni  Ni213  1  0.740253  0.515151  0.628595  1
  Ni  Ni214  1  0.321186  0.592602  0.680781  1
  Ni  Ni215  1  0.682513  0.258563  0.671354  1
  Ni  Ni216  1  0.097500  0.180709  0.614383  1
  Ni  Ni217  1  0.041738  0.658031  0.716712  1
  Ni  Ni218  1  0.460320  0.561041  0.663361  1
  Ni  Ni219  1  0.723929  0.477377  0.682846  1
  Ni  Ni220  1  0.144383  0.389454  0.633221  1
  Ni  Ni221  1  0.999702  0.425054  0.699078  1
  Ni  Ni222  1  0.412607  0.347959  0.647158  1
  Ni  Ni223  1  0.665726  0.994809  0.697831  1
  Ni  Ni224  1  0.084690  0.902217  0.641821  1
  Ni  Ni225  1  0.056811  0.910080  0.690951  1
  Ni  Ni226  1  0.471121  0.839464  0.636217  1
  Ni  Ni227  1  0.936781  0.941873  0.660844  1
  Ni  Ni228  1  0.520215  0.025475  0.714495  1
  Ni  Ni229  1  0.619924  0.804601  0.617394  1
  Ni  Ni230  1  0.203084  0.874763  0.673137  1
  Ni  Ni231  1  0.950551  0.184863  0.683285  1
  Ni  Ni232  1  0.359084  0.112725  0.626436  1
