# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70722990
_cell_length_b   15.28372600
_cell_length_c   52.74787608
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.53160031
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6987.68319209
_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  0.517002  0.785728  0.297264  1
  Zr  Zr2  1  0.666848  0.240949  0.351938  1
  Zr  Zr3  1  0.124537  0.239125  0.331820  1
  Zr  Zr4  1  0.282051  0.688029  0.389227  1
  Zr  Zr5  1  0.853234  0.076667  0.295143  1
  Zr  Zr6  1  0.009392  0.524932  0.347443  1
  Zr  Zr7  1  0.791945  0.956112  0.339726  1
  Zr  Zr8  1  0.937776  0.402865  0.392867  1
  Zr  Zr9  1  0.573919  0.913499  0.393995  1
  Zr  Zr10  1  0.412236  0.465078  0.338852  1
  Zr  Zr11  1  0.388379  0.013523  0.344523  1
  Zr  Zr12  1  0.209623  0.567339  0.292901  1
  Zr  Zr13  1  0.551478  0.239150  0.291178  1
  Zr  Zr14  1  0.708233  0.685564  0.344272  1
  Zr  Zr15  1  0.082436  0.796342  0.341768  1
  Zr  Zr16  1  0.237284  0.241787  0.395809  1
  Zr  Zr17  1  0.817521  0.687237  0.407055  1
  Zr  Zr18  1  0.969650  0.134374  0.462061  1
  Zr  Zr19  1  0.433227  0.135101  0.444386  1
  Zr  Zr20  1  0.582295  0.582205  0.500073  1
  Zr  Zr21  1  0.165695  0.972648  0.402211  1
  Zr  Zr22  1  0.314177  0.419104  0.458306  1
  Zr  Zr23  1  0.087690  0.850818  0.448205  1
  Zr  Zr24  1  0.238136  0.297482  0.503862  1
  Zr  Zr25  1  0.874194  0.807893  0.505141  1
  Zr  Zr26  1  0.723850  0.359922  0.449488  1
  Zr  Zr27  1  0.677862  0.909939  0.457208  1
  Zr  Zr28  1  0.526081  0.462461  0.401874  1
  Zr  Zr29  1  0.868555  0.133426  0.398682  1
  Zr  Zr30  1  0.011997  0.579277  0.454992  1
  Zr  Zr31  1  0.388488  0.690830  0.452045  1
  Zr  Zr32  1  0.538440  0.137566  0.507697  1
  Zr  Zr33  1  0.120702  0.581867  0.517681  1
  Zr  Zr34  1  0.269954  0.029162  0.573396  1
  Zr  Zr35  1  0.733221  0.029788  0.555710  1
  Zr  Zr36  1  0.885495  0.476959  0.610748  1
  Zr  Zr37  1  0.464779  0.866649  0.513908  1
  Zr  Zr38  1  0.615348  0.313270  0.569616  1
  Zr  Zr39  1  0.388772  0.745035  0.559450  1
  Zr  Zr40  1  0.537581  0.191500  0.615627  1
  Zr  Zr41  1  0.176545  0.701488  0.615743  1
  Zr  Zr42  1  0.025189  0.254240  0.560593  1
  Zr  Zr43  1  0.978968  0.804250  0.568246  1
  Zr  Zr44  1  0.828761  0.356226  0.512629  1
  Zr  Zr45  1  0.164438  0.026626  0.510100  1
  Zr  Zr46  1  0.314626  0.473234  0.565707  1
  Zr  Zr47  1  0.690962  0.584767  0.562764  1
  Zr  Zr48  1  0.834736  0.030926  0.619020  1
  Zr  Zr49  1  0.420993  0.475958  0.628553  1
  Zr  Zr50  1  0.578360  0.924905  0.685538  1
  Zr  Zr51  1  0.035800  0.923288  0.665687  1
  Zr  Zr52  1  0.185448  0.378740  0.720523  1
  Zr  Zr53  1  0.764950  0.761286  0.624842  1
  Zr  Zr54  1  0.911113  0.208254  0.677946  1
  Zr  Zr55  1  0.692964  0.639595  0.670391  1
  Zr  Zr56  1  0.854005  0.086567  0.722623  1
  Zr  Zr57  1  0.492643  0.598310  0.724882  1
  Zr  Zr58  1  0.315284  0.150464  0.673463  1
  Zr  Zr59  1  0.290761  0.699433  0.678707  1
  Zr  Zr60  1  0.129499  0.250668  0.623845  1
  Zr  Zr61  1  0.465333  0.922363  0.622082  1
  Zr  Zr62  1  0.620455  0.368023  0.676122  1
  Zr  Zr63  1  0.994331  0.478780  0.673520  1
  Zr  Zr64  1  0.155587  0.923009  0.725970  1
  Ni  Ni65  1  0.252450  0.280128  0.286292  1
  Ni  Ni66  1  0.398264  0.739985  0.341383  1
  Ni  Ni67  1  0.565392  0.857795  0.343444  1
  Ni  Ni68  1  0.409465  0.412239  0.290240  1
  Ni  Ni69  1  0.388559  0.068825  0.394777  1
  Ni  Ni70  1  0.232807  0.622983  0.340083  1
  Ni  Ni71  1  0.801028  0.809021  0.313528  1
  Ni  Ni72  1  0.951395  0.255913  0.370063  1
  Ni  Ni73  1  0.839924  0.234634  0.313430  1
  Ni  Ni74  1  -0.001719  0.673580  0.369465  1
  Ni  Ni75  1  0.587336  0.956543  0.304520  1
  Ni  Ni76  1  0.684684  0.408619  0.362001  1
  Ni  Ni77  1  0.119292  0.066539  0.319605  1
  Ni  Ni78  1  0.259606  0.519559  0.378399  1
  Ni  Ni79  1  0.620426  0.108779  0.323933  1
  Ni  Ni80  1  0.763255  0.552178  0.378609  1
  Ni  Ni81  1  0.637960  0.067033  0.369970  1
  Ni  Ni82  1  0.473992  0.615164  0.312640  1
  Ni  Ni83  1  0.316420  0.862551  0.369564  1
  Ni  Ni84  1  0.159807  0.409280  0.313527  1
  Ni  Ni85  1  0.087436  0.961934  0.352753  1
  Ni  Ni86  1  0.925639  0.512435  0.301280  1
  Ni  Ni87  1  0.874018  0.966734  0.386005  1
  Ni  Ni88  1  0.705841  0.522482  0.330293  1
  Ni  Ni89  1  0.143793  0.110269  0.368603  1
  Ni  Ni90  1  0.981324  0.665129  0.317274  1
  Ni  Ni91  1  0.810882  0.815927  0.370107  1
  Ni  Ni92  1  0.652160  0.373664  0.315261  1
  Ni  Ni93  1  0.892970  0.109316  0.346516  1
  Ni  Ni94  1  0.734989  0.646854  0.296831  1
  Ni  Ni95  1  0.064545  0.821034  0.392697  1
  Ni  Ni96  1  0.908339  0.376757  0.336038  1
  Ni  Ni97  1  0.399319  0.176403  0.356050  1
  Ni  Ni98  1  0.233398  0.734599  0.302151  1
  Ni  Ni99  1  0.549139  0.752010  0.383822  1
  Ni  Ni100  1  0.395449  0.303814  0.328153  1
  Ni  Ni101  1  0.297461  0.886172  0.319999  1
  Ni  Ni102  1  0.444095  0.331957  0.376133  1
  Ni  Ni103  1  0.353768  0.146894  0.310434  1
  Ni  Ni104  1  0.500150  0.596321  0.363890  1
  Ni  Ni105  1  0.019605  0.919616  0.305857  1
  Ni  Ni106  1  0.178700  0.372076  0.360576  1
  Ni  Ni107  1  0.550813  0.187936  0.398191  1
  Ni  Ni108  1  0.700313  0.634819  0.453496  1
  Ni  Ni109  1  0.863519  0.753571  0.455857  1
  Ni  Ni110  1  0.714399  0.306606  0.400287  1
  Ni  Ni111  1  0.688330  0.963842  0.506640  1
  Ni  Ni112  1  0.537422  0.516367  0.451144  1
  Ni  Ni113  1  0.100677  0.701128  0.427065  1
  Ni  Ni114  1  0.251605  0.148658  0.482100  1
  Ni  Ni115  1  0.153219  0.120523  0.424337  1
  Ni  Ni116  1  0.300204  0.568409  0.479788  1
  Ni  Ni117  1  0.837004  0.854844  0.417708  1
  Ni  Ni118  1  0.988196  0.301191  0.472860  1
  Ni  Ni119  1  0.414339  0.969140  0.433582  1
  Ni  Ni120  1  0.564934  0.414850  0.489262  1
  Ni  Ni121  1  0.917692  0.000061  0.433846  1
  Ni  Ni122  1  0.066690  0.446363  0.489567  1
  Ni  Ni123  1  0.936063  0.960448  0.480681  1
  Ni  Ni124  1  0.784544  0.512692  0.425304  1
  Ni  Ni125  1  0.615927  0.756927  0.481516  1
  Ni  Ni126  1  0.465717  0.309155  0.425864  1
  Ni  Ni127  1  0.383027  0.855472  0.465272  1
  Ni  Ni128  1  0.232373  0.405877  0.409608  1
  Ni  Ni129  1  0.169942  0.861965  0.496685  1
  Ni  Ni130  1  0.019070  0.415020  0.441276  1
  Ni  Ni131  1  0.438030  0.005151  0.481910  1
  Ni  Ni132  1  0.286679  0.557525  0.426491  1
  Ni  Ni133  1  0.113962  0.712183  0.480317  1
  Ni  Ni134  1  0.965258  0.264795  0.424813  1
  Ni  Ni135  1  0.187322  0.001141  0.458638  1
  Ni  Ni136  1  0.035217  0.554057  0.403842  1
  Ni  Ni137  1  0.364962  0.715528  0.503468  1
  Ni  Ni138  1  0.215254  0.268323  0.447630  1
  Ni  Ni139  1  0.698403  0.070883  0.467562  1
  Ni  Ni140  1  0.547974  0.623424  0.411914  1
  Ni  Ni141  1  0.852621  0.646548  0.494997  1
  Ni  Ni142  1  0.704724  0.198889  0.439175  1
  Ni  Ni143  1  0.595799  0.778273  0.431537  1
  Ni  Ni144  1  0.746675  0.224946  0.486988  1
  Ni  Ni145  1  0.656954  0.045203  0.419672  1
  Ni  Ni146  1  0.805176  0.491491  0.475242  1
  Ni  Ni147  1  0.335710  0.824207  0.416906  1
  Ni  Ni148  1  0.485526  0.269918  0.472661  1
  Ni  Ni149  1  0.851447  0.082100  0.508886  1
  Ni  Ni150  1  0.002697  0.529260  0.564278  1
  Ni  Ni151  1  0.165524  0.647685  0.566574  1
  Ni  Ni152  1  0.014595  0.200341  0.511137  1
  Ni  Ni153  1  0.988439  0.857642  0.617396  1
  Ni  Ni154  1  0.839507  0.410536  0.561926  1
  Ni  Ni155  1  0.402814  0.595696  0.537956  1
  Ni  Ni156  1  0.549787  0.043580  0.593498  1
  Ni  Ni157  1  0.451301  0.015455  0.535671  1
  Ni  Ni158  1  0.602444  0.462915  0.590744  1
  Ni  Ni159  1  0.138080  0.749283  0.528496  1
  Ni  Ni160  1  0.288890  0.195070  0.584236  1
  Ni  Ni161  1  0.714569  0.862991  0.544902  1
  Ni  Ni162  1  0.866138  0.309412  0.600102  1
  Ni  Ni163  1  0.217440  0.894308  0.545103  1
  Ni  Ni164  1  0.367481  0.339901  0.600910  1
  Ni  Ni165  1  0.237154  0.855054  0.591862  1
  Ni  Ni166  1  0.087087  0.407174  0.536257  1
  Ni  Ni167  1  0.918282  0.651389  0.592440  1
  Ni  Ni168  1  0.766880  0.203750  0.537098  1
  Ni  Ni169  1  0.683832  0.749061  0.576450  1
  Ni  Ni170  1  0.532995  0.302222  0.521096  1
  Ni  Ni171  1  0.470339  0.758257  0.608149  1
  Ni  Ni172  1  0.320030  0.308628  0.552512  1
  Ni  Ni173  1  0.737567  0.899399  0.592951  1
  Ni  Ni174  1  0.589042  0.451889  0.537456  1
  Ni  Ni175  1  0.416378  0.606516  0.591232  1
  Ni  Ni176  1  0.264931  0.159033  0.535883  1
  Ni  Ni177  1  0.487656  0.895840  0.570174  1
  Ni  Ni178  1  0.338018  0.448585  0.514278  1
  Ni  Ni179  1  0.667764  0.610050  0.613917  1
  Ni  Ni180  1  0.515718  0.162945  0.559170  1
  Ni  Ni181  1  -0.001619  0.965342  0.578548  1
  Ni  Ni182  1  0.850366  0.517524  0.522768  1
  Ni  Ni183  1  0.155112  0.540616  0.605832  1
  Ni  Ni184  1  0.004483  0.093330  0.550222  1
  Ni  Ni185  1  0.897773  0.672581  0.542507  1
  Ni  Ni186  1  0.046334  0.119114  0.598114  1
  Ni  Ni187  1  0.956188  0.939215  0.530776  1
  Ni  Ni188  1  0.107346  0.385867  0.586261  1
  Ni  Ni189  1  0.636249  0.717723  0.528191  1
  Ni  Ni190  1  0.785458  0.164153  0.583916  1
  Ni  Ni191  1  0.152280  0.976414  0.619523  1
  Ni  Ni192  1  0.304334  0.424378  0.676432  1
  Ni  Ni193  1  0.469872  0.541296  0.677693  1
  Ni  Ni194  1  0.314774  0.095477  0.623059  1
  Ni  Ni195  1  0.287620  0.748174  0.726446  1
  Ni  Ni196  1  0.137749  0.306401  0.674369  1
  Ni  Ni197  1  0.704496  0.490787  0.648357  1
  Ni  Ni198  1  0.863742  0.929462  0.704270  1
  Ni  Ni199  1  0.751415  0.908338  0.647676  1
  Ni  Ni200  1  0.901731  0.355396  0.704227  1
  Ni  Ni201  1  0.443292  0.644351  0.639284  1
  Ni  Ni202  1  0.585860  0.096761  0.698205  1
  Ni  Ni203  1  0.017701  0.755702  0.655650  1
  Ni  Ni204  1  0.114778  0.207862  0.713261  1
  Ni  Ni205  1  0.524235  0.792100  0.657137  1
  Ni  Ni206  1  0.684540  0.243550  0.711881  1
  Ni  Ni207  1  0.540951  0.756410  0.704338  1
  Ni  Ni208  1  0.386715  0.301583  0.648301  1
  Ni  Ni209  1  0.228818  0.549824  0.705156  1
  Ni  Ni210  1  0.065481  0.097238  0.647828  1
  Ni  Ni211  1  0.997157  0.642150  0.687503  1
  Ni  Ni212  1  0.829393  0.197453  0.631733  1
  Ni  Ni213  1  0.776557  0.652890  0.716441  1
  Ni  Ni214  1  0.615615  0.202174  0.665039  1
  Ni  Ni215  1  0.049148  0.790740  0.702221  1
  Ni  Ni216  1  0.892170  0.348383  0.647700  1
  Ni  Ni217  1  0.721224  0.499595  0.700614  1
  Ni  Ni218  1  0.559312  0.053765  0.649315  1
  Ni  Ni219  1  0.793580  0.787723  0.681695  1
  Ni  Ni220  1  0.638647  0.343049  0.625183  1
  Ni  Ni221  1  0.967834  0.518163  0.720922  1
  Ni  Ni222  1  0.810701  0.054668  0.671282  1
  Ni  Ni223  1  0.306205  0.859819  0.688896  1
  Ni  Ni224  1  0.153938  0.412115  0.633985  1
  Ni  Ni225  1  0.468747  0.430498  0.715697  1
  Ni  Ni226  1  0.303744  0.987819  0.661741  1
  Ni  Ni227  1  0.202565  0.567809  0.653847  1
  Ni  Ni228  1  0.352203  0.015514  0.707303  1
  Ni  Ni229  1  0.258718  0.832152  0.641471  1
  Ni  Ni230  1  0.405925  0.278412  0.697863  1
  Ni  Ni231  1  0.939423  0.612066  0.639182  1
  Ni  Ni232  1  0.084718  0.054905  0.693820  1
