# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56579465
_cell_length_b   22.59614765
_cell_length_c   55.25397753
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.70430218
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8141.5161958
_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  0.296036  0.472742  0.346482  1
  Zr  Zr2  1  0.092817  0.778869  0.302933  1
  Zr  Zr3  1  0.482105  0.165192  0.394639  1
  Zr  Zr4  1  0.070589  0.149027  0.322050  1
  Zr  Zr5  1  0.423025  0.529203  0.415631  1
  Zr  Zr6  1  0.237821  0.838484  0.368136  1
  Zr  Zr7  1  0.279337  0.332639  0.422171  1
  Zr  Zr8  1  0.089968  0.641252  0.374917  1
  Zr  Zr9  1  0.919269  0.952548  0.329332  1
  Zr  Zr10  1  0.632061  0.362866  0.387514  1
  Zr  Zr11  1  0.438404  0.671996  0.340660  1
  Zr  Zr12  1  0.291132  0.982547  0.297226  1
  Zr  Zr13  1  0.936412  0.334168  0.336713  1
  Zr  Zr14  1  0.741529  0.654487  0.291461  1
  Zr  Zr15  1  0.117411  0.023100  0.383913  1
  Zr  Zr16  1  0.431649  0.291338  0.333622  1
  Zr  Zr17  1  0.787706  0.670712  0.427303  1
  Zr  Zr18  1  0.610513  0.982304  0.380066  1
  Zr  Zr19  1  0.989477  0.210094  0.396822  1
  Zr  Zr20  1  0.802031  0.520312  0.347789  1
  Zr  Zr21  1  0.613309  0.825992  0.301332  1
  Zr  Zr22  1  0.914584  0.484123  0.414112  1
  Zr  Zr23  1  0.726928  0.795777  0.367616  1
  Zr  Zr24  1  0.570503  0.107802  0.317842  1
  Zr  Zr25  1  0.838352  0.543977  0.490047  1
  Zr  Zr26  1  0.658658  0.854242  0.442800  1
  Zr  Zr27  1  0.020048  0.234533  0.537490  1
  Zr  Zr28  1  0.608619  0.220645  0.463711  1
  Zr  Zr29  1  0.970009  0.600936  0.558400  1
  Zr  Zr30  1  0.790315  0.911201  0.511153  1
  Zr  Zr31  1  0.815472  0.402852  0.565258  1
  Zr  Zr32  1  0.637176  0.713180  0.517280  1
  Zr  Zr33  1  0.458103  0.022862  0.469760  1
  Zr  Zr34  1  0.170563  0.432316  0.531441  1
  Zr  Zr35  1  0.991491  0.741998  0.483920  1
  Zr  Zr36  1  0.813195  0.052326  0.435943  1
  Zr  Zr37  1  0.475325  0.403580  0.478731  1
  Zr  Zr38  1  0.292321  0.712668  0.431167  1
  Zr  Zr39  1  0.657493  0.093741  0.526216  1
  Zr  Zr40  1  0.971173  0.361437  0.474984  1
  Zr  Zr41  1  0.336345  0.742510  0.570033  1
  Zr  Zr42  1  0.153342  0.051598  0.522470  1
  Zr  Zr43  1  0.529689  0.279752  0.539369  1
  Zr  Zr44  1  0.348427  0.589176  0.491509  1
  Zr  Zr45  1  0.168976  0.898944  0.444043  1
  Zr  Zr46  1  0.459690  0.556234  0.557157  1
  Zr  Zr47  1  0.280240  0.866002  0.509691  1
  Zr  Zr48  1  0.098977  0.175426  0.461832  1
  Zr  Zr49  1  0.390845  0.616694  0.633064  1
  Zr  Zr50  1  0.205641  0.925975  0.585569  1
  Zr  Zr51  1  0.558078  0.306151  0.679150  1
  Zr  Zr52  1  0.146561  0.289986  0.606562  1
  Zr  Zr53  1  0.535849  0.676309  0.698267  1
  Zr  Zr54  1  0.332630  0.982436  0.654718  1
  Zr  Zr55  1  0.337534  0.472631  0.703974  1
  Zr  Zr56  1  0.190262  0.783182  0.660540  1
  Zr  Zr57  1  0.996605  0.092312  0.613686  1
  Zr  Zr58  1  0.709398  0.502630  0.671868  1
  Zr  Zr59  1  0.538698  0.813926  0.626283  1
  Zr  Zr60  1  0.349329  0.122539  0.579029  1
  Zr  Zr61  1  0.018154  0.472874  0.621134  1
  Zr  Zr62  1  0.840961  0.784466  0.573897  1
  Zr  Zr63  1  0.197017  0.163840  0.667578  1
  Zr  Zr64  1  0.511255  0.432078  0.617287  1
  Zr  Zr65  1  0.887137  0.800690  0.709740  1
  Zr  Zr66  1  0.692254  0.121010  0.664487  1
  Zr  Zr67  1  0.058163  0.347375  0.683358  1
  Zr  Zr68  1  0.901739  0.659401  0.633584  1
  Zr  Zr69  1  0.714082  0.971054  0.587088  1
  Zr  Zr70  1  0.015358  0.629185  0.699868  1
  Zr  Zr71  1  0.826636  0.934866  0.653412  1
  Zr  Zr72  1  0.639189  0.245084  0.604378  1
  Ni  Ni73  1  0.776159  0.159231  0.356839  1
  Ni  Ni74  1  0.586197  0.469944  0.307079  1
  Ni  Ni75  1  0.949084  0.846710  0.405865  1
  Ni  Ni76  1  0.614539  0.404362  0.342625  1
  Ni  Ni77  1  0.420760  0.716965  0.296534  1
  Ni  Ni78  1  0.801380  0.093122  0.392032  1
  Ni  Ni79  1  0.751431  0.227233  0.321938  1
  Ni  Ni80  1  0.103274  0.601958  0.418508  1
  Ni  Ni81  1  0.920954  0.911788  0.371399  1
  Ni  Ni82  1  0.589204  0.472008  0.381896  1
  Ni  Ni83  1  0.403813  0.782231  0.334900  1
  Ni  Ni84  1  0.242176  0.093420  0.288753  1
  Ni  Ni85  1  0.316388  0.222519  0.428481  1
  Ni  Ni86  1  0.128785  0.531556  0.380369  1
  Ni  Ni87  1  0.932117  0.842280  0.333021  1
  Ni  Ni88  1  0.277047  0.363438  0.362509  1
  Ni  Ni89  1  0.092171  0.665908  0.315172  1
  Ni  Ni90  1  0.459077  0.054849  0.410895  1
  Ni  Ni91  1  0.111667  0.264765  0.305980  1
  Ni  Ni92  1  0.445866  0.639923  0.400158  1
  Ni  Ni93  1  0.269498  0.949567  0.352439  1
  Ni  Ni94  1  0.347459  0.265082  0.382568  1
  Ni  Ni95  1  0.161279  0.572700  0.335618  1
  Ni  Ni96  1  0.978252  0.890485  0.290450  1
  Ni  Ni97  1  0.704473  0.258402  0.366536  1
  Ni  Ni98  1  0.515313  0.570034  0.318143  1
  Ni  Ni99  1  0.881247  0.948584  0.414382  1
  Ni  Ni100  1  0.655250  0.360702  0.302077  1
  Ni  Ni101  1  0.018974  0.745315  0.396618  1
  Ni  Ni102  1  0.850596  0.057975  0.348986  1
  Ni  Ni103  1  0.910079  0.373975  0.424051  1
  Ni  Ni104  1  0.725250  0.684761  0.376065  1
  Ni  Ni105  1  0.555523  0.999391  0.330920  1
  Ni  Ni106  1  0.996489  0.320647  0.387103  1
  Ni  Ni107  1  0.806418  0.630278  0.339190  1
  Ni  Ni108  1  0.630944  0.935196  0.297595  1
  Ni  Ni109  1  0.407574  0.202025  0.300066  1
  Ni  Ni110  1  0.768386  0.579299  0.393882  1
  Ni  Ni111  1  0.586132  0.890999  0.344509  1
  Ni  Ni112  1  0.950467  0.425592  0.368011  1
  Ni  Ni113  1  0.750472  0.735598  0.324088  1
  Ni  Ni114  1  0.135241  0.114896  0.416981  1
  Ni  Ni115  1  0.666136  0.268095  0.413043  1
  Ni  Ni116  1  0.479743  0.576284  0.365108  1
  Ni  Ni117  1  0.286428  0.881690  0.318011  1
  Ni  Ni118  1  0.237090  0.426985  0.397532  1
  Ni  Ni119  1  0.053147  0.735185  0.349933  1
  Ni  Ni120  1  0.888270  0.039351  0.303057  1
  Ni  Ni121  1  0.416835  0.184415  0.346571  1
  Ni  Ni122  1  0.221602  0.501676  0.300637  1
  Ni  Ni123  1  0.587197  0.875781  0.395585  1
  Ni  Ni124  1  0.940782  0.441562  0.318844  1
  Ni  Ni125  1  0.311135  0.818450  0.415662  1
  Ni  Ni126  1  0.136089  0.130528  0.368566  1
  Ni  Ni127  1  0.286714  0.388945  0.314164  1
  Ni  Ni128  1  0.649316  0.765446  0.411619  1
  Ni  Ni129  1  0.477941  0.079077  0.363460  1
  Ni  Ni130  1  0.076216  0.238866  0.351732  1
  Ni  Ni131  1  0.888811  0.555471  0.303842  1
  Ni  Ni132  1  0.250059  0.927382  0.399662  1
  Ni  Ni133  1  0.559336  0.428827  0.428356  1
  Ni  Ni134  1  0.373792  0.737826  0.381191  1
  Ni  Ni135  1  0.209751  0.050674  0.333702  1
  Ni  Ni136  1  0.314333  0.227589  0.500600  1
  Ni  Ni137  1  0.130904  0.536612  0.452892  1
  Ni  Ni138  1  0.497762  0.918566  0.548308  1
  Ni  Ni139  1  0.159236  0.471589  0.487433  1
  Ni  Ni140  1  0.977924  0.781071  0.440038  1
  Ni  Ni141  1  0.341366  0.161955  0.535030  1
  Ni  Ni142  1  0.287300  0.293223  0.466170  1
  Ni  Ni143  1  0.650742  0.674106  0.561162  1
  Ni  Ni144  1  0.469430  0.983589  0.513767  1
  Ni  Ni145  1  0.134853  0.542355  0.525174  1
  Ni  Ni146  1  0.955251  0.852214  0.477780  1
  Ni  Ni147  1  0.772575  0.162532  0.430139  1
  Ni  Ni148  1  0.856091  0.292646  0.571061  1
  Ni  Ni149  1  0.673415  0.602964  0.523420  1
  Ni  Ni150  1  0.493814  0.912823  0.476027  1
  Ni  Ni151  1  0.816489  0.433596  0.505931  1
  Ni  Ni152  1  0.635294  0.743373  0.458580  1
  Ni  Ni153  1  0.998702  0.123990  0.553126  1
  Ni  Ni154  1  0.629964  0.331187  0.448074  1
  Ni  Ni155  1  0.993373  0.711805  0.542620  1
  Ni  Ni156  1  0.812177  0.021582  0.495269  1
  Ni  Ni157  1  0.886382  0.335631  0.525080  1
  Ni  Ni158  1  0.704545  0.645125  0.477315  1
  Ni  Ni159  1  0.524902  0.955738  0.429852  1
  Ni  Ni160  1  0.241650  0.329119  0.509346  1
  Ni  Ni161  1  0.059489  0.638353  0.461693  1
  Ni  Ni162  1  0.424837  0.019918  0.557071  1
  Ni  Ni163  1  0.203829  0.435259  0.444129  1
  Ni  Ni164  1  0.569178  0.816825  0.539507  1
  Ni  Ni165  1  0.387016  0.126059  0.491855  1
  Ni  Ni166  1  0.453007  0.445765  0.566553  1
  Ni  Ni167  1  0.276256  0.756301  0.518953  1
  Ni  Ni168  1  0.094308  0.065497  0.471439  1
  Ni  Ni169  1  0.534359  0.389681  0.529761  1
  Ni  Ni170  1  0.352411  0.698877  0.482247  1
  Ni  Ni171  1  0.175659  0.009412  0.434647  1
  Ni  Ni172  1  0.954814  0.270232  0.441486  1
  Ni  Ni173  1  0.315673  0.650932  0.536311  1
  Ni  Ni174  1  0.135851  0.960463  0.488827  1
  Ni  Ni175  1  0.492815  0.494715  0.512373  1
  Ni  Ni176  1  0.312993  0.804246  0.464889  1
  Ni  Ni177  1  0.673853  0.184946  0.559714  1
  Ni  Ni178  1  0.205413  0.336807  0.555672  1
  Ni  Ni179  1  0.023804  0.646446  0.508051  1
  Ni  Ni180  1  0.844778  0.956865  0.460556  1
  Ni  Ni181  1  0.783888  0.498312  0.540644  1
  Ni  Ni182  1  0.604863  0.808731  0.493149  1
  Ni  Ni183  1  0.423254  0.118371  0.445528  1
  Ni  Ni184  1  0.953534  0.255309  0.490228  1
  Ni  Ni185  1  0.770146  0.564483  0.442618  1
  Ni  Ni186  1  0.136502  0.946057  0.538054  1
  Ni  Ni187  1  0.492164  0.509120  0.463147  1
  Ni  Ni188  1  0.858520  0.890694  0.558582  1
  Ni  Ni189  1  0.675133  0.199869  0.510973  1
  Ni  Ni190  1  0.832411  0.455623  0.458772  1
  Ni  Ni191  1  0.198254  0.837511  0.554173  1
  Ni  Ni192  1  0.015290  0.146331  0.506303  1
  Ni  Ni193  1  0.613376  0.308847  0.494898  1
  Ni  Ni194  1  0.430412  0.617667  0.447027  1
  Ni  Ni195  1  0.796255  0.999555  0.542428  1
  Ni  Ni196  1  0.103764  0.499440  0.571348  1
  Ni  Ni197  1  0.924121  0.810053  0.523885  1
  Ni  Ni198  1  0.742285  0.119547  0.476121  1
  Ni  Ni199  1  0.852507  0.295947  0.644362  1
  Ni  Ni200  1  0.679583  0.608468  0.595335  1
  Ni  Ni201  1  0.042469  0.985234  0.694121  1
  Ni  Ni202  1  0.707713  0.543390  0.629801  1
  Ni  Ni203  1  0.525392  0.853220  0.582692  1
  Ni  Ni204  1  0.877235  0.227945  0.679262  1
  Ni  Ni205  1  0.827287  0.362056  0.609168  1
  Ni  Ni206  1  0.207906  0.738213  0.704666  1
  Ni  Ni207  1  0.014128  0.050816  0.658575  1
  Ni  Ni208  1  0.696550  0.612898  0.668180  1
  Ni  Ni209  1  0.499881  0.923622  0.620832  1
  Ni  Ni210  1  0.312278  0.232659  0.572719  1
  Ni  Ni211  1  0.386491  0.361758  0.712447  1
  Ni  Ni212  1  0.224854  0.672946  0.666300  1
  Ni  Ni213  1  0.039462  0.983170  0.619304  1
  Ni  Ni214  1  0.359168  0.505611  0.648761  1
  Ni  Ni215  1  0.182801  0.815255  0.601042  1
  Ni  Ni216  1  0.516999  0.190413  0.695220  1
  Ni  Ni217  1  0.169589  0.400329  0.590305  1
  Ni  Ni218  1  0.536495  0.789270  0.686028  1
  Ni  Ni219  1  0.351619  0.091739  0.638692  1
  Ni  Ni220  1  0.418916  0.404504  0.667498  1
  Ni  Ni221  1  0.254875  0.717352  0.620009  1
  Ni  Ni222  1  0.069330  0.026350  0.572845  1
  Ni  Ni223  1  0.778070  0.397203  0.652214  1
  Ni  Ni224  1  0.609693  0.709863  0.604582  1
  Ni  Ni225  1  0.973416  0.094476  0.699123  1
  Ni  Ni226  1  0.747420  0.506594  0.586819  1
  Ni  Ni227  1  0.113353  0.885144  0.683058  1
  Ni  Ni228  1  0.924194  0.196776  0.634664  1
  Ni  Ni229  1  0.997722  0.519982  0.703605  1
  Ni  Ni230  1  0.822248  0.824900  0.662010  1
  Ni  Ni231  1  0.632178  0.134531  0.614097  1
  Ni  Ni232  1  0.073143  0.455787  0.670280  1
  Ni  Ni233  1  0.903416  0.770417  0.625135  1
  Ni  Ni234  1  0.718587  0.081202  0.577149  1
  Ni  Ni235  1  0.493425  0.340281  0.584219  1
  Ni  Ni236  1  0.878194  0.719580  0.677112  1
  Ni  Ni237  1  0.678200  0.029586  0.633189  1
  Ni  Ni238  1  0.042535  0.564179  0.656691  1
  Ni  Ni239  1  0.860280  0.875879  0.607319  1
  Ni  Ni240  1  0.221092  0.253153  0.701134  1
  Ni  Ni241  1  0.740396  0.415827  0.698143  1
  Ni  Ni242  1  0.575519  0.719992  0.651267  1
  Ni  Ni243  1  0.391576  0.028193  0.603668  1
  Ni  Ni244  1  0.342238  0.573488  0.683189  1
  Ni  Ni245  1  0.148924  0.878894  0.636093  1
  Ni  Ni246  1  0.962531  0.187083  0.588157  1
  Ni  Ni247  1  0.492578  0.324650  0.632634  1
  Ni  Ni248  1  0.317531  0.636728  0.585538  1
  Ni  Ni249  1  0.687884  0.013616  0.682356  1
  Ni  Ni250  1  0.041470  0.579397  0.605615  1
  Ni  Ni251  1  0.407064  0.953502  0.700563  1
  Ni  Ni252  1  0.211831  0.270763  0.654629  1
  Ni  Ni253  1  0.378607  0.527795  0.601538  1
  Ni  Ni254  1  0.739855  0.899707  0.697358  1
  Ni  Ni255  1  0.552451  0.216312  0.649468  1
  Ni  Ni256  1  0.150726  0.376101  0.637740  1
  Ni  Ni257  1  0.979351  0.689732  0.589582  1
  Ni  Ni258  1  0.341952  0.066233  0.687037  1
  Ni  Ni259  1  0.650415  0.564693  0.710750  1
  Ni  Ni260  1  0.467387  0.882478  0.665582  1
  Ni  Ni261  1  0.281207  0.190096  0.618633  1
