# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50253714
_cell_length_b   26.39641136
_cell_length_c   48.19681346
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.33327884
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8270.43703201
_cell_formula_units_Z   9
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  0.171027  0.918836  0.408238  1
  Zr  Zr2  1  0.931097  0.547421  0.361008  1
  Zr  Zr3  1  0.682451  0.175002  0.315198  1
  Zr  Zr4  1  0.325813  0.667032  0.311796  1
  Zr  Zr5  1  0.822395  0.410196  0.402619  1
  Zr  Zr6  1  0.573543  0.037900  0.354133  1
  Zr  Zr7  1  0.422040  0.778170  0.377449  1
  Zr  Zr8  1  0.176478  0.404329  0.327911  1
  Zr  Zr9  1  0.665133  0.149863  0.423831  1
  Zr  Zr10  1  0.070973  0.809488  0.338178  1
  Zr  Zr11  1  0.813199  0.434147  0.290711  1
  Zr  Zr12  1  0.314686  0.179787  0.385900  1
  Zr  Zr13  1  0.753215  0.902053  0.306734  1
  Zr  Zr14  1  0.248818  0.648871  0.400521  1
  Zr  Zr15  1  0.995733  0.275227  0.352995  1
  Zr  Zr16  1  0.751798  0.679926  0.410219  1
  Zr  Zr17  1  0.504347  0.308054  0.362948  1
  Zr  Zr18  1  0.257839  0.932217  0.315727  1
  Zr  Zr19  1  0.673180  0.887969  0.396651  1
  Zr  Zr20  1  0.431279  0.517675  0.349068  1
  Zr  Zr21  1  0.183708  0.145210  0.302052  1
  Zr  Zr22  1  0.834868  0.698081  0.319320  1
  Zr  Zr23  1  0.320100  0.440304  0.414127  1
  Zr  Zr24  1  0.070605  0.068664  0.366821  1
  Zr  Zr25  1  0.904853  0.034219  0.550352  1
  Zr  Zr26  1  0.663312  0.662643  0.503843  1
  Zr  Zr27  1  0.415307  0.290867  0.456203  1
  Zr  Zr28  1  0.064984  0.781651  0.450706  1
  Zr  Zr29  1  0.556116  0.525092  0.544763  1
  Zr  Zr30  1  0.307409  0.153368  0.497201  1
  Zr  Zr31  1  0.158582  0.893614  0.519956  1
  Zr  Zr32  1  0.914970  0.521993  0.471869  1
  Zr  Zr33  1  0.403332  0.264437  0.567618  1
  Zr  Zr34  1  0.810872  0.922306  0.481080  1
  Zr  Zr35  1  0.567278  0.551608  0.433439  1
  Zr  Zr36  1  0.055726  0.293998  0.529190  1
  Zr  Zr37  1  0.485228  0.020216  0.447231  1
  Zr  Zr38  1  0.978275  0.764176  0.543617  1
  Zr  Zr39  1  0.732285  0.392202  0.495431  1
  Zr  Zr40  1  0.484292  0.795660  0.553844  1
  Zr  Zr41  1  0.238825  0.423745  0.505608  1
  Zr  Zr42  1  0.991721  0.051708  0.457451  1
  Zr  Zr43  1  0.406913  0.003751  0.538546  1
  Zr  Zr44  1  0.165755  0.632119  0.491998  1
  Zr  Zr45  1  0.917220  0.260535  0.444044  1
  Zr  Zr46  1  0.562864  0.812230  0.462464  1
  Zr  Zr47  1  0.054436  0.555429  0.556962  1
  Zr  Zr48  1  0.805033  0.183794  0.509066  1
  Zr  Zr49  1  0.644288  0.148871  0.689254  1
  Zr  Zr50  1  0.395394  0.777758  0.647035  1
  Zr  Zr51  1  0.148427  0.405918  0.598518  1
  Zr  Zr52  1  0.798476  0.897029  0.592767  1
  Zr  Zr53  1  0.282931  0.642185  0.684555  1
  Zr  Zr54  1  0.039432  0.268519  0.640026  1
  Zr  Zr55  1  0.898578  0.006447  0.662826  1
  Zr  Zr56  1  0.655323  0.635396  0.615549  1
  Zr  Zr57  1  0.157010  0.381865  0.710381  1
  Zr  Zr58  1  0.547716  0.037749  0.623567  1
  Zr  Zr59  1  0.306144  0.666179  0.577166  1
  Zr  Zr60  1  0.793023  0.410717  0.673052  1
  Zr  Zr61  1  0.218503  0.136001  0.590816  1
  Zr  Zr62  1  0.711237  0.883799  0.685286  1
  Zr  Zr63  1  0.467875  0.508249  0.638019  1
  Zr  Zr64  1  0.216007  0.913928  0.694287  1
  Zr  Zr65  1  0.975286  0.541243  0.648005  1
  Zr  Zr66  1  0.721542  0.167102  0.600519  1
  Zr  Zr67  1  0.135173  0.117869  0.681693  1
  Zr  Zr68  1  0.898236  0.747040  0.634353  1
  Zr  Zr69  1  0.650591  0.375776  0.586931  1
  Zr  Zr70  1  0.296260  0.927864  0.604410  1
  Zr  Zr71  1  0.785750  0.671783  0.698962  1
  Zr  Zr72  1  0.539083  0.298256  0.651984  1
  Ni  Ni73  1  0.871775  0.978115  0.380258  1
  Ni  Ni74  1  0.635371  0.608575  0.331308  1
  Ni  Ni75  1  0.382340  0.232500  0.284968  1
  Ni  Ni76  1  0.081074  0.852221  0.288282  1
  Ni  Ni77  1  0.589784  0.595724  0.382652  1
  Ni  Ni78  1  0.332407  0.222500  0.334611  1
  Ni  Ni79  1  0.413103  0.733439  0.427018  1
  Ni  Ni80  1  0.169147  0.361345  0.378112  1
  Ni  Ni81  1  0.917700  0.988782  0.329424  1
  Ni  Ni82  1  0.173797  0.758185  0.297458  1
  Ni  Ni83  1  0.655845  0.495665  0.391919  1
  Ni  Ni84  1  0.396225  0.124339  0.344470  1
  Ni  Ni85  1  0.338430  0.833057  0.419571  1
  Ni  Ni86  1  0.101704  0.460822  0.370229  1
  Ni  Ni87  1  0.866830  0.085995  0.321762  1
  Ni  Ni88  1  0.419907  0.840434  0.314294  1
  Ni  Ni89  1  0.919198  0.588629  0.411098  1
  Ni  Ni90  1  0.665039  0.216330  0.363470  1
  Ni  Ni91  1  0.074775  0.740744  0.401315  1
  Ni  Ni92  1  0.835418  0.369440  0.353193  1
  Ni  Ni93  1  0.573372  0.994968  0.306007  1
  Ni  Ni94  1  0.336718  0.877152  0.363267  1
  Ni  Ni95  1  0.087504  0.501944  0.317401  1
  Ni  Ni96  1  0.581145  0.249554  0.412128  1
  Ni  Ni97  1  0.974133  0.903333  0.353419  1
  Ni  Ni98  1  0.734383  0.530718  0.306149  1
  Ni  Ni99  1  0.219763  0.275585  0.401975  1
  Ni  Ni100  1  0.533517  0.681003  0.360882  1
  Ni  Ni101  1  0.277015  0.308085  0.314215  1
  Ni  Ni102  1  0.767341  0.053173  0.408690  1
  Ni  Ni103  1  0.810505  0.750195  0.365775  1
  Ni  Ni104  1  0.570938  0.375417  0.319042  1
  Ni  Ni105  1  0.052191  0.120141  0.413601  1
  Ni  Ni106  1  0.687958  0.837138  0.349454  1
  Ni  Ni107  1  0.451277  0.466298  0.304183  1
  Ni  Ni108  1  0.934485  0.207781  0.397687  1
  Ni  Ni109  1  0.731202  0.786242  0.414168  1
  Ni  Ni110  1  0.483963  0.415098  0.365275  1
  Ni  Ni111  1  0.230508  0.041239  0.318793  1
  Ni  Ni112  1  0.775565  0.797840  0.302357  1
  Ni  Ni113  1  0.263934  0.543355  0.396805  1
  Ni  Ni114  1  0.011735  0.170466  0.348310  1
  Ni  Ni115  1  0.010096  0.829409  0.390006  1
  Ni  Ni116  1  0.766825  0.457227  0.341266  1
  Ni  Ni117  1  0.522043  0.085658  0.298919  1
  Ni  Ni118  1  0.501561  0.754982  0.328093  1
  Ni  Ni119  1  0.989079  0.499450  0.420873  1
  Ni  Ni120  1  0.737092  0.126702  0.372402  1
  Ni  Ni121  1  0.009989  0.600358  0.315545  1
  Ni  Ni122  1  0.488165  0.348293  0.411405  1
  Ni  Ni123  1  0.240924  0.976282  0.362180  1
  Ni  Ni124  1  0.501811  0.980104  0.398665  1
  Ni  Ni125  1  0.267022  0.608320  0.352116  1
  Ni  Ni126  1  0.010189  0.238063  0.303554  1
  Ni  Ni127  1  0.909080  0.646038  0.363300  1
  Ni  Ni128  1  0.642001  0.274563  0.316515  1
  Ni  Ni129  1  0.144119  0.017701  0.411673  1
  Ni  Ni130  1  0.597287  0.938577  0.349837  1
  Ni  Ni131  1  0.357065  0.565449  0.303332  1
  Ni  Ni132  1  0.844772  0.310888  0.398418  1
  Ni  Ni133  1  0.162384  0.709819  0.352861  1
  Ni  Ni134  1  0.905582  0.334701  0.306274  1
  Ni  Ni135  1  0.405931  0.079284  0.398751  1
  Ni  Ni136  1  0.605870  0.093615  0.523671  1
  Ni  Ni137  1  0.364325  0.722370  0.477345  1
  Ni  Ni138  1  0.118145  0.350985  0.429062  1
  Ni  Ni139  1  0.823010  0.967174  0.431239  1
  Ni  Ni140  1  0.315210  0.710988  0.527521  1
  Ni  Ni141  1  0.068973  0.339240  0.479508  1
  Ni  Ni142  1  0.146276  0.848690  0.569831  1
  Ni  Ni143  1  0.902233  0.476717  0.521531  1
  Ni  Ni144  1  0.655256  0.104957  0.473479  1
  Ni  Ni145  1  0.898947  0.867291  0.439696  1
  Ni  Ni146  1  0.387679  0.611266  0.535088  1
  Ni  Ni147  1  0.139720  0.239348  0.487212  1
  Ni  Ni148  1  0.071060  0.948596  0.561350  1
  Ni  Ni149  1  0.831404  0.576707  0.513845  1
  Ni  Ni150  1  0.583516  0.204714  0.465976  1
  Ni  Ni151  1  0.157596  0.959485  0.458034  1
  Ni  Ni152  1  0.650848  0.703535  0.553709  1
  Ni  Ni153  1  0.403482  0.331662  0.506151  1
  Ni  Ni154  1  0.811865  0.856322  0.542992  1
  Ni  Ni155  1  0.567495  0.484259  0.494877  1
  Ni  Ni156  1  0.319832  0.112451  0.447311  1
  Ni  Ni157  1  0.071111  0.992804  0.506262  1
  Ni  Ni158  1  0.828781  0.621378  0.459668  1
  Ni  Ni159  1  0.316284  0.364489  0.554652  1
  Ni  Ni160  1  0.709747  0.018472  0.495808  1
  Ni  Ni161  1  0.469297  0.647461  0.449430  1
  Ni  Ni162  1  0.955984  0.390110  0.543934  1
  Ni  Ni163  1  0.260049  0.797468  0.505241  1
  Ni  Ni164  1  0.015058  0.425875  0.457124  1
  Ni  Ni165  1  0.501157  0.168520  0.551629  1
  Ni  Ni166  1  0.543954  0.864367  0.508897  1
  Ni  Ni167  1  0.300634  0.492380  0.460738  1
  Ni  Ni168  1  0.785750  0.235379  0.555732  1
  Ni  Ni169  1  0.425719  0.951559  0.492131  1
  Ni  Ni170  1  0.184776  0.580610  0.445307  1
  Ni  Ni171  1  0.670174  0.323652  0.540317  1
  Ni  Ni172  1  0.465157  0.901554  0.556482  1
  Ni  Ni173  1  0.221526  0.529793  0.508716  1
  Ni  Ni174  1  0.972344  0.158194  0.460864  1
  Ni  Ni175  1  0.504251  0.914347  0.444542  1
  Ni  Ni176  1  0.998716  0.657730  0.540276  1
  Ni  Ni177  1  0.749550  0.286161  0.492310  1
  Ni  Ni178  1  0.740615  0.945033  0.531905  1
  Ni  Ni179  1  0.499022  0.573318  0.484786  1
  Ni  Ni180  1  0.251242  0.201456  0.437343  1
  Ni  Ni181  1  0.229196  0.870866  0.469148  1
  Ni  Ni182  1  0.719780  0.614555  0.563762  1
  Ni  Ni183  1  0.472035  0.242647  0.516287  1
  Ni  Ni184  1  0.734887  0.720115  0.458986  1
  Ni  Ni185  1  0.223130  0.463194  0.553982  1
  Ni  Ni186  1  0.976094  0.091655  0.505898  1
  Ni  Ni187  1  0.235265  0.095884  0.542045  1
  Ni  Ni188  1  0.994120  0.724221  0.495179  1
  Ni  Ni189  1  0.748189  0.352751  0.447080  1
  Ni  Ni190  1  0.636907  0.761919  0.508072  1
  Ni  Ni191  1  0.391180  0.390281  0.459981  1
  Ni  Ni192  1  0.878372  0.133758  0.554599  1
  Ni  Ni193  1  0.333175  0.054113  0.492957  1
  Ni  Ni194  1  0.091898  0.682163  0.446456  1
  Ni  Ni195  1  0.580026  0.425671  0.541044  1
  Ni  Ni196  1  0.898862  0.823127  0.494740  1
  Ni  Ni197  1  0.654496  0.451531  0.446418  1
  Ni  Ni198  1  0.141737  0.194585  0.541382  1
  Ni  Ni199  1  0.334979  0.207357  0.669709  1
  Ni  Ni200  1  0.097468  0.837594  0.620838  1
  Ni  Ni201  1  0.853228  0.464902  0.572000  1
  Ni  Ni202  1  0.556994  0.082494  0.574012  1
  Ni  Ni203  1  0.051093  0.827273  0.671632  1
  Ni  Ni204  1  0.801818  0.454757  0.623083  1
  Ni  Ni205  1  0.888426  0.963746  0.712743  1
  Ni  Ni206  1  0.635940  0.593714  0.668160  1
  Ni  Ni207  1  0.380691  0.220232  0.618370  1
  Ni  Ni208  1  0.630837  0.982800  0.581466  1
  Ni  Ni209  1  0.100991  0.730452  0.679506  1
  Ni  Ni210  1  0.869320  0.355006  0.630667  1
  Ni  Ni211  1  0.796354  0.057776  0.703570  1
  Ni  Ni212  1  0.573731  0.691591  0.656509  1
  Ni  Ni213  1  0.314656  0.320364  0.609138  1
  Ni  Ni214  1  0.895245  0.075213  0.599727  1
  Ni  Ni215  1  0.395221  0.821070  0.695081  1
  Ni  Ni216  1  0.134952  0.446819  0.647970  1
  Ni  Ni217  1  0.549574  0.975514  0.686728  1
  Ni  Ni218  1  0.306157  0.599419  0.637628  1
  Ni  Ni219  1  0.051358  0.227332  0.589920  1
  Ni  Ni220  1  0.807680  0.106140  0.648170  1
  Ni  Ni221  1  0.563339  0.736519  0.602325  1
  Ni  Ni222  1  0.065755  0.481009  0.694768  1
  Ni  Ni223  1  0.436687  0.134932  0.640142  1
  Ni  Ni224  1  0.201908  0.762699  0.592365  1
  Ni  Ni225  1  0.697420  0.506517  0.685795  1
  Ni  Ni226  1  0.995180  0.912593  0.647575  1
  Ni  Ni227  1  0.752127  0.540201  0.598872  1
  Ni  Ni228  1  0.235841  0.285167  0.694898  1
  Ni  Ni229  1  0.281619  0.978787  0.651564  1
  Ni  Ni230  1  0.036983  0.608243  0.603367  1
  Ni  Ni231  1  0.518621  0.349394  0.697038  1
  Ni  Ni232  1  0.159425  0.065752  0.635257  1
  Ni  Ni233  1  0.917201  0.695572  0.587576  1
  Ni  Ni234  1  0.400534  0.440390  0.681977  1
  Ni  Ni235  1  0.194012  0.018141  0.698637  1
  Ni  Ni236  1  0.955529  0.645503  0.652759  1
  Ni  Ni237  1  0.706679  0.272599  0.604220  1
  Ni  Ni238  1  0.238657  0.029672  0.586865  1
  Ni  Ni239  1  0.737760  0.774946  0.682302  1
  Ni  Ni240  1  0.486095  0.401132  0.635697  1
  Ni  Ni241  1  0.468472  0.060960  0.672933  1
  Ni  Ni242  1  0.231656  0.689041  0.628600  1
  Ni  Ni243  1  0.981784  0.316594  0.580189  1
  Ni  Ni244  1  0.959425  0.986501  0.610995  1
  Ni  Ni245  1  0.446167  0.730267  0.702082  1
  Ni  Ni246  1  0.203795  0.358775  0.659805  1
  Ni  Ni247  1  0.467388  0.835814  0.602373  1
  Ni  Ni248  1  0.966344  0.577901  0.697425  1
  Ni  Ni249  1  0.703340  0.207608  0.648937  1
  Ni  Ni250  1  0.960317  0.215534  0.685491  1
  Ni  Ni251  1  0.728003  0.839625  0.638830  1
  Ni  Ni252  1  0.483019  0.467703  0.589631  1
  Ni  Ni253  1  0.371880  0.877333  0.651195  1
  Ni  Ni254  1  0.126524  0.505143  0.602698  1
  Ni  Ni255  1  0.612975  0.250372  0.697759  1
  Ni  Ni256  1  0.061218  0.169897  0.637718  1
  Ni  Ni257  1  0.825142  0.798096  0.589400  1
  Ni  Ni258  1  0.329658  0.541266  0.684599  1
  Ni  Ni259  1  0.632676  0.938761  0.637740  1
  Ni  Ni260  1  0.390207  0.566379  0.588836  1
  Ni  Ni261  1  0.882942  0.313729  0.683698  1
