# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53572516
_cell_length_b   18.99416973
_cell_length_c   50.98747734
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   83.99877540
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6294.93128677
_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  0.142962  0.842217  0.300343  1
  Zr  Zr2  1  0.565631  0.258515  0.355661  1
  Zr  Zr3  1  0.084376  0.664158  0.257027  1
  Zr  Zr4  1  0.494203  0.050992  0.324706  1
  Zr  Zr5  1  0.228590  0.619994  0.337203  1
  Zr  Zr6  1  0.813947  0.206670  0.282364  1
  Zr  Zr7  1  0.828063  0.686175  0.343250  1
  Zr  Zr8  1  0.425987  0.312930  0.271902  1
  Zr  Zr9  1  0.465570  0.840705  0.366214  1
  Zr  Zr10  1  0.076893  0.458808  0.296300  1
  Zr  Zr11  1  0.593620  0.468243  0.314015  1
  Zr  Zr12  1  0.180150  0.055813  0.260839  1
  Zr  Zr13  1  0.629439  0.847222  0.284196  1
  Zr  Zr14  1  0.060602  0.256792  0.337361  1
  Zr  Zr15  1  0.603981  0.669553  0.271641  1
  Zr  Zr16  1  -0.000758  0.049792  0.343230  1
  Zr  Zr17  1  0.975367  0.640924  0.425471  1
  Zr  Zr18  1  0.383895  0.054905  0.480945  1
  Zr  Zr19  1  0.904052  0.462089  0.380785  1
  Zr  Zr20  1  0.315755  0.844757  0.450556  1
  Zr  Zr21  1  0.049606  0.416811  0.463208  1
  Zr  Zr22  1  0.627312  0.998908  0.408778  1
  Zr  Zr23  1  0.651912  0.482681  0.468510  1
  Zr  Zr24  1  0.251054  0.104371  0.397081  1
  Zr  Zr25  1  0.290075  0.635875  0.491792  1
  Zr  Zr26  1  0.887796  0.253796  0.421528  1
  Zr  Zr27  1  0.410398  0.263798  0.439915  1
  Zr  Zr28  1  0.988627  0.850353  0.384676  1
  Zr  Zr29  1  0.458200  0.640389  0.409503  1
  Zr  Zr30  1  0.878613  0.053605  0.462948  1
  Zr  Zr31  1  0.421744  0.463262  0.396757  1
  Zr  Zr32  1  0.820924  0.846023  0.468594  1
  Zr  Zr33  1  0.797347  0.436989  0.550901  1
  Zr  Zr34  1  0.205900  0.850584  0.606485  1
  Zr  Zr35  1  0.724832  0.258648  0.506311  1
  Zr  Zr36  1  0.138211  0.640879  0.576100  1
  Zr  Zr37  1  0.870196  0.212883  0.588643  1
  Zr  Zr38  1  0.449073  0.795094  0.534469  1
  Zr  Zr39  1  0.472580  0.279144  0.594115  1
  Zr  Zr40  1  0.072466  0.900513  0.522525  1
  Zr  Zr41  1  0.112646  0.432078  0.617240  1
  Zr  Zr42  1  0.708870  0.049543  0.546865  1
  Zr  Zr43  1  0.232133  0.059546  0.565308  1
  Zr  Zr44  1  0.813253  0.645917  0.510207  1
  Zr  Zr45  1  0.280801  0.436251  0.534890  1
  Zr  Zr46  1  0.700439  0.849472  0.588344  1
  Zr  Zr47  1  0.241602  0.259305  0.522263  1
  Zr  Zr48  1  0.643696  0.641837  0.594121  1
  Zr  Zr49  1  0.618694  0.232581  0.676315  1
  Zr  Zr50  1  0.008329  0.641235  0.731180  1
  Zr  Zr51  1  0.546179  0.054262  0.631570  1
  Zr  Zr52  1  0.951465  0.439541  0.699941  1
  Zr  Zr53  1  0.700675  1.006528  0.713308  1
  Zr  Zr54  1  0.263944  0.593313  0.660301  1
  Zr  Zr55  1  0.286710  0.072968  0.719499  1
  Zr  Zr56  1  0.887987  0.698560  0.649237  1
  Zr  Zr57  1  0.913041  0.226260  0.741166  1
  Zr  Zr58  1  0.535782  0.843791  0.672238  1
  Zr  Zr59  1  0.051985  0.853539  0.691285  1
  Zr  Zr60  1  0.633344  0.441589  0.635709  1
  Zr  Zr61  1  0.104044  0.231510  0.660108  1
  Zr  Zr62  1  0.502310  0.643473  0.712926  1
  Zr  Zr63  1  0.062585  0.054746  0.647595  1
  Zr  Zr64  1  0.449920  0.436354  0.718767  1
  Ni  Ni65  1  0.818301  0.946578  0.312211  1
  Ni  Ni66  1  0.407792  0.572261  0.240791  1
  Ni  Ni67  1  0.802964  0.830678  0.335493  1
  Ni  Ni68  1  0.410584  0.453544  0.264372  1
  Ni  Ni69  1  0.251480  0.477185  0.345366  1
  Ni  Ni70  1  0.842798  0.063489  0.290625  1
  Ni  Ni71  1  0.890242  0.735494  0.298305  1
  Ni  Ni72  1  0.326585  0.151633  0.352014  1
  Ni  Ni73  1  0.331182  0.774400  0.259622  1
  Ni  Ni74  1  0.744076  0.157399  0.327839  1
  Ni  Ni75  1  0.162250  0.770546  0.343104  1
  Ni  Ni76  1  0.764849  0.389141  0.273184  1
  Ni  Ni77  1  0.891157  0.535943  0.338766  1
  Ni  Ni78  1  0.498388  0.123700  0.280495  1
  Ni  Ni79  1  0.286458  0.908639  0.259331  1
  Ni  Ni80  1  0.706749  0.320016  0.313301  1
  Ni  Ni81  1  0.915035  0.945228  0.265279  1
  Ni  Ni82  1  0.334227  0.359025  0.320152  1
  Ni  Ni83  1  0.328724  0.568121  0.287071  1
  Ni  Ni84  1  0.725089  0.950027  0.359747  1
  Ni  Ni85  1  0.591038  0.614677  0.317165  1
  Ni  Ni86  1  0.206693  0.203311  0.268257  1
  Ni  Ni87  1  0.465294  0.693290  0.363156  1
  Ni  Ni88  1  0.058114  0.313760  0.291721  1
  Ni  Ni89  1  0.539108  0.550717  0.360985  1
  Ni  Ni90  1  0.139931  0.132184  0.306447  1
  Ni  Ni91  1  0.513487  0.757635  0.319926  1
  Ni  Ni92  1  0.100748  0.390329  0.250850  1
  Ni  Ni93  1  0.958305  0.805198  0.255608  1
  Ni  Ni94  1  0.410953  0.222657  0.309583  1
  Ni  Ni95  1  0.256960  0.700047  0.299210  1
  Ni  Ni96  1  0.661734  0.086794  0.371394  1
  Ni  Ni97  1  0.595637  0.395533  0.355762  1
  Ni  Ni98  1  0.179290  0.981776  0.300912  1
  Ni  Ni99  1  0.459308  0.913754  0.323823  1
  Ni  Ni100  1  0.062626  0.528001  0.252745  1
  Ni  Ni101  1  0.710785  0.531814  0.271636  1
  Ni  Ni102  1  0.102970  0.913748  0.344629  1
  Ni  Ni103  1  0.536773  0.985310  0.279385  1
  Ni  Ni104  1  0.949444  0.392869  0.335478  1
  Ni  Ni105  1  0.946858  0.599746  0.297192  1
  Ni  Ni106  1  0.346158  0.985621  0.366635  1
  Ni  Ni107  1  0.644788  0.741783  0.438472  1
  Ni  Ni108  1  0.234973  0.361153  0.367478  1
  Ni  Ni109  1  0.629160  0.626008  0.461479  1
  Ni  Ni110  1  0.224303  0.245294  0.390480  1
  Ni  Ni111  1  0.071252  0.273534  0.470238  1
  Ni  Ni112  1  0.653974  0.858132  0.415761  1
  Ni  Ni113  1  0.716956  0.532500  0.423418  1
  Ni  Ni114  1  0.147137  0.947624  0.477287  1
  Ni  Ni115  1  0.162211  0.571042  0.382872  1
  Ni  Ni116  1  0.552695  0.952164  0.454173  1
  Ni  Ni117  1  0.987728  0.567437  0.468030  1
  Ni  Ni118  1  0.578431  0.187081  0.399457  1
  Ni  Ni119  1  0.712962  0.332100  0.463678  1
  Ni  Ni120  1  0.298853  0.916694  0.406908  1
  Ni  Ni121  1  0.110854  0.705088  0.383904  1
  Ni  Ni122  1  0.530688  0.117812  0.439327  1
  Ni  Ni123  1  0.735655  0.742645  0.391375  1
  Ni  Ni124  1  0.151519  0.154313  0.445674  1
  Ni  Ni125  1  0.142865  0.361315  0.414623  1
  Ni  Ni126  1  0.548699  0.745290  0.485892  1
  Ni  Ni127  1  0.411631  0.410332  0.443106  1
  Ni  Ni128  1  0.005685  0.996260  0.390546  1
  Ni  Ni129  1  0.289579  0.489319  0.488573  1
  Ni  Ni130  1  0.872136  0.107269  0.415461  1
  Ni  Ni131  1  0.361233  0.346079  0.486190  1
  Ni  Ni132  1  0.955681  0.927383  0.431987  1
  Ni  Ni133  1  0.339654  0.553449  0.445538  1
  Ni  Ni134  1  0.922265  0.176817  0.374178  1
  Ni  Ni135  1  0.799514  0.606090  0.381516  1
  Ni  Ni136  1  0.217504  0.017776  0.434602  1
  Ni  Ni137  1  0.079781  0.497362  0.424989  1
  Ni  Ni138  1  0.481980  0.881897  0.496929  1
  Ni  Ni139  1  0.415266  0.191684  0.481471  1
  Ni  Ni140  1  0.002125  0.778957  0.427159  1
  Ni  Ni141  1  0.284586  0.708002  0.450197  1
  Ni  Ni142  1  0.877634  0.324575  0.378946  1
  Ni  Ni143  1  0.526001  0.329497  0.399929  1
  Ni  Ni144  1  0.929361  0.709887  0.470351  1
  Ni  Ni145  1  0.353015  0.774304  0.406112  1
  Ni  Ni146  1  0.770486  0.189731  0.461297  1
  Ni  Ni147  1  0.767761  0.398102  0.422599  1
  Ni  Ni148  1  0.169344  0.781663  0.492271  1
  Ni  Ni149  1  0.466918  0.537969  0.564096  1
  Ni  Ni150  1  0.055032  0.157749  0.493116  1
  Ni  Ni151  1  0.451014  0.422393  0.586787  1
  Ni  Ni152  1  0.044726  0.041392  0.515869  1
  Ni  Ni153  1  0.893162  0.069380  0.595525  1
  Ni  Ni154  1  0.476998  0.654221  0.541236  1
  Ni  Ni155  1  0.538435  0.328513  0.548883  1
  Ni  Ni156  1  0.967084  0.742625  0.603037  1
  Ni  Ni157  1  0.983968  0.367018  0.508321  1
  Ni  Ni158  1  0.374341  0.747821  0.579716  1
  Ni  Ni159  1  0.809552  0.363653  0.593527  1
  Ni  Ni160  1  0.399781  0.983004  0.524644  1
  Ni  Ni161  1  0.534817  0.127978  0.589038  1
  Ni  Ni162  1  0.122046  0.712619  0.532349  1
  Ni  Ni163  1  0.933920  0.501455  0.509158  1
  Ni  Ni164  1  0.352191  0.913846  0.564729  1
  Ni  Ni165  1  0.558695  0.538371  0.516991  1
  Ni  Ni166  1  0.973144  0.950089  0.571213  1
  Ni  Ni167  1  0.963440  0.157182  0.540217  1
  Ni  Ni168  1  0.369539  0.541415  0.611580  1
  Ni  Ni169  1  0.232980  0.206335  0.568608  1
  Ni  Ni170  1  0.828188  0.792302  0.516130  1
  Ni  Ni171  1  0.110778  0.285311  0.613933  1
  Ni  Ni172  1  0.693482  0.903330  0.540891  1
  Ni  Ni173  1  0.182700  0.141826  0.611524  1
  Ni  Ni174  1  0.778356  0.723169  0.557469  1
  Ni  Ni175  1  0.161097  0.349635  0.570961  1
  Ni  Ni176  1  0.743320  0.972356  0.499556  1
  Ni  Ni177  1  0.621497  0.402199  0.506670  1
  Ni  Ni178  1  0.039684  0.813530  0.560141  1
  Ni  Ni179  1  0.900978  0.293388  0.550533  1
  Ni  Ni180  1  0.304572  0.678009  0.622527  1
  Ni  Ni181  1  0.237418  0.987234  0.606877  1
  Ni  Ni182  1  0.824393  0.574933  0.552677  1
  Ni  Ni183  1  0.106541  0.504132  0.575653  1
  Ni  Ni184  1  0.697432  0.120713  0.504452  1
  Ni  Ni185  1  0.346178  0.125413  0.525419  1
  Ni  Ni186  1  0.751559  0.505987  0.595946  1
  Ni  Ni187  1  0.175848  0.570227  0.531770  1
  Ni  Ni188  1  0.592645  0.985506  0.586694  1
  Ni  Ni189  1  0.588377  0.194142  0.548009  1
  Ni  Ni190  1  0.989819  0.579449  0.617708  1
  Ni  Ni191  1  0.283337  0.333375  0.690040  1
  Ni  Ni192  1  0.877091  0.954218  0.618705  1
  Ni  Ni193  1  0.260075  0.216719  0.712168  1
  Ni  Ni194  1  0.868215  0.838049  0.640396  1
  Ni  Ni195  1  0.722364  0.863875  0.721168  1
  Ni  Ni196  1  0.296141  0.450097  0.667035  1
  Ni  Ni197  1  0.356834  0.123740  0.674873  1
  Ni  Ni198  1  0.754715  0.534007  0.728094  1
  Ni  Ni199  1  0.805811  0.162500  0.633521  1
  Ni  Ni200  1  0.191765  0.544323  0.704439  1
  Ni  Ni201  1  0.615258  0.154519  0.718125  1
  Ni  Ni202  1  0.221641  0.778719  0.650214  1
  Ni  Ni203  1  0.362134  0.922151  0.713582  1
  Ni  Ni204  1  0.939836  0.510692  0.657192  1
  Ni  Ni205  1  0.754490  0.297384  0.634559  1
  Ni  Ni206  1  0.167081  0.710676  0.690953  1
  Ni  Ni207  1  0.379278  0.333938  0.643086  1
  Ni  Ni208  1  0.786274  0.741566  0.700564  1
  Ni  Ni209  1  0.787992  0.951211  0.666177  1
  Ni  Ni210  1  0.176153  0.337380  0.736710  1
  Ni  Ni211  1  0.057587  1.002619  0.693538  1
  Ni  Ni212  1  0.644066  0.590269  0.641828  1
  Ni  Ni213  1  0.925565  0.081689  0.738380  1
  Ni  Ni214  1  0.511282  0.700211  0.667374  1
  Ni  Ni215  1  0.024553  0.937819  0.735065  1
  Ni  Ni216  1  0.590926  0.519688  0.682690  1
  Ni  Ni217  1  0.977958  0.145072  0.696190  1
  Ni  Ni218  1  0.564720  0.767705  0.624771  1
  Ni  Ni219  1  0.443262  0.197573  0.632080  1
  Ni  Ni220  1  0.844970  0.608953  0.686517  1
  Ni  Ni221  1  0.718432  0.088138  0.675748  1
  Ni  Ni222  1  0.085693  0.475770  0.745843  1
  Ni  Ni223  1  0.062268  0.779851  0.732954  1
  Ni  Ni224  1  0.639798  0.370248  0.679188  1
  Ni  Ni225  1  0.921861  0.300483  0.701579  1
  Ni  Ni226  1  0.520011  0.916543  0.629972  1
  Ni  Ni227  1  0.171085  0.920610  0.651232  1
  Ni  Ni228  1  0.559698  0.295739  0.722611  1
  Ni  Ni229  1  0.995953  0.365624  0.657066  1
  Ni  Ni230  1  0.414460  0.782714  0.713787  1
  Ni  Ni231  1  0.414173  0.990256  0.673772  1
  Ni  Ni232  1  0.803963  0.379955  0.741322  1
