# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.71552911
_cell_length_b   15.05939655
_cell_length_c   53.58423741
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   96.54466574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6987.13210639
_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  0.689347  0.390598  0.324412  1
  Zr  Zr2  1  0.078024  0.739234  0.272212  1
  Zr  Zr3  1  0.872169  0.108254  0.380368  1
  Zr  Zr4  1  0.254441  0.454242  0.324680  1
  Zr  Zr5  1  0.950619  0.987195  0.301003  1
  Zr  Zr6  1  0.573492  0.644405  0.360260  1
  Zr  Zr7  1  0.386501  0.210415  0.286218  1
  Zr  Zr8  1  0.979079  0.857468  0.342728  1
  Zr  Zr9  1  0.546442  0.029299  0.316476  1
  Zr  Zr10  1  0.157533  0.679690  0.371641  1
  Zr  Zr11  1  0.778635  0.163962  0.279469  1
  Zr  Zr12  1  0.392765  0.816596  0.332731  1
  Zr  Zr13  1  0.469909  0.249103  0.364567  1
  Zr  Zr14  1  0.857399  0.601514  0.309816  1
  Zr  Zr15  1  0.089849  0.244978  0.340615  1
  Zr  Zr16  1  0.459647  0.591592  0.283369  1
  Zr  Zr17  1  0.903714  0.696702  0.434896  1
  Zr  Zr18  1  0.296450  0.044539  0.379367  1
  Zr  Zr19  1  0.081673  0.416091  0.491462  1
  Zr  Zr20  1  0.476250  0.762812  0.435703  1
  Zr  Zr21  1  0.189611  0.303317  0.418238  1
  Zr  Zr22  1  0.794865  0.953714  0.472854  1
  Zr  Zr23  1  0.584618  0.506501  0.397739  1
  Zr  Zr24  1  0.193802  0.158800  0.453004  1
  Zr  Zr25  1  0.765976  0.333859  0.427101  1
  Zr  Zr26  1  0.374956  0.986985  0.482719  1
  Zr  Zr27  1  0.005055  0.471898  0.388020  1
  Zr  Zr28  1  0.615650  0.125768  0.443591  1
  Zr  Zr29  1  0.682707  0.556365  0.475003  1
  Zr  Zr30  1  0.078242  0.902070  0.419763  1
  Zr  Zr31  1  0.302922  0.558051  0.451415  1
  Zr  Zr32  1  0.694956  0.902999  0.395221  1
  Zr  Zr33  1  0.117988  1.003774  0.546178  1
  Zr  Zr34  1  0.512565  0.350495  0.490419  1
  Zr  Zr35  1  0.297788  0.722048  0.602514  1
  Zr  Zr36  1  0.690524  0.069885  0.546985  1
  Zr  Zr37  1  0.400436  0.607787  0.528877  1
  Zr  Zr38  1  0.009620  0.260085  0.584142  1
  Zr  Zr39  1  0.799373  0.812872  0.509027  1
  Zr  Zr40  1  0.404627  0.463270  0.563643  1
  Zr  Zr41  1  0.978588  0.640818  0.538290  1
  Zr  Zr42  1  0.589183  0.294688  0.593861  1
  Zr  Zr43  1  0.219282  0.779601  0.499162  1
  Zr  Zr44  1  0.828262  0.432727  0.554780  1
  Zr  Zr45  1  0.899282  0.863587  0.586660  1
  Zr  Zr46  1  0.291316  0.208535  0.530465  1
  Zr  Zr47  1  0.515996  0.864517  0.562118  1
  Zr  Zr48  1  0.911531  0.210221  0.506878  1
  Zr  Zr49  1  0.339797  0.312345  0.657201  1
  Zr  Zr50  1  0.722069  0.658333  0.601513  1
  Zr  Zr51  1  0.516214  0.027352  0.709669  1
  Zr  Zr52  1  0.904892  0.375988  0.657469  1
  Zr  Zr53  1  0.615159  0.909119  0.639152  1
  Zr  Zr54  1  0.207737  0.556172  0.695663  1
  Zr  Zr55  1  0.020746  0.122181  0.621621  1
  Zr  Zr56  1  0.643619  0.779391  0.680878  1
  Zr  Zr57  1  0.201473  0.949991  0.649150  1
  Zr  Zr58  1  0.815603  0.602624  0.702412  1
  Zr  Zr59  1  0.436705  0.086896  0.610239  1
  Zr  Zr60  1  0.047796  0.737288  0.665405  1
  Zr  Zr61  1  0.134591  0.174994  0.698512  1
  Zr  Zr62  1  0.504389  0.521609  0.641266  1
  Zr  Zr63  1  0.736839  0.165073  0.672065  1
  Zr  Zr64  1  0.124329  0.517484  0.617314  1
  Ni  Ni65  1  0.780937  0.247567  0.352021  1
  Ni  Ni66  1  0.155257  0.592299  0.294664  1
  Ni  Ni67  1  0.601581  0.210072  0.317823  1
  Ni  Ni68  1  0.208786  0.861464  0.372999  1
  Ni  Ni69  1  0.690049  0.989154  0.276378  1
  Ni  Ni70  1  0.338896  0.633892  0.329589  1
  Ni  Ni71  1  0.382607  0.307511  0.324542  1
  Ni  Ni72  1  0.745702  0.672033  0.273436  1
  Ni  Ni73  1  0.172582  0.194005  0.382700  1
  Ni  Ni74  1  0.561099  0.536418  0.321626  1
  Ni  Ni75  1  0.259675  0.964876  0.334731  1
  Ni  Ni76  1  0.668460  0.319097  0.280812  1
  Ni  Ni77  1  0.296695  0.533814  0.368955  1
  Ni  Ni78  1  0.676909  0.879710  0.312528  1
  Ni  Ni79  1  0.164317  0.868054  0.300734  1
  Ni  Ni80  1  0.781099  0.520906  0.354915  1
  Ni  Ni81  1  0.724716  0.374037  0.377966  1
  Ni  Ni82  1  0.112355  0.719800  0.322285  1
  Ni  Ni83  1  0.831927  0.120899  0.325480  1
  Ni  Ni84  1  0.221472  0.462850  0.271758  1
  Ni  Ni85  1  0.084399  0.154281  0.300865  1
  Ni  Ni86  1  0.685880  0.810523  0.355493  1
  Ni  Ni87  1  0.264503  0.034361  0.293355  1
  Ni  Ni88  1  0.867117  0.691652  0.348568  1
  Ni  Ni89  1  0.235581  0.367454  0.372404  1
  Ni  Ni90  1  0.615144  0.712463  0.314901  1
  Ni  Ni91  1  0.322894  0.134586  0.331478  1
  Ni  Ni92  1  0.703731  0.492366  0.280266  1
  Ni  Ni93  1  0.491701  0.433395  0.357556  1
  Ni  Ni94  1  0.880036  0.785616  0.303299  1
  Ni  Ni95  1  0.060131  0.058311  0.342967  1
  Ni  Ni96  1  0.449410  0.404898  0.289660  1
  Ni  Ni97  1  0.966095  0.393459  0.345828  1
  Ni  Ni98  1  0.351056  0.739146  0.291362  1
  Ni  Ni99  1  0.594195  0.102939  0.358268  1
  Ni  Ni100  1  0.972820  0.444120  0.300546  1
  Ni  Ni101  1  0.890180  0.283434  0.308902  1
  Ni  Ni102  1  0.497241  0.939773  0.362739  1
  Ni  Ni103  1  0.428001  0.901372  0.286723  1
  Ni  Ni104  1  0.053836  0.556341  0.340157  1
  Ni  Ni105  1  0.160990  0.319165  0.294046  1
  Ni  Ni106  1  0.773470  0.977396  0.347906  1
  Ni  Ni107  1  0.992792  0.556874  0.463225  1
  Ni  Ni108  1  0.386812  0.903467  0.407377  1
  Ni  Ni109  1  0.816378  0.513937  0.428331  1
  Ni  Ni110  1  0.425322  0.166756  0.483778  1
  Ni  Ni111  1  0.956007  0.292253  0.387033  1
  Ni  Ni112  1  0.563572  0.945284  0.442256  1
  Ni  Ni113  1  0.601515  0.614485  0.434364  1
  Ni  Ni114  1  0.992991  0.961791  0.380192  1
  Ni  Ni115  1  0.384877  0.499892  0.492420  1
  Ni  Ni116  1  0.779283  0.845411  0.435841  1
  Ni  Ni117  1  0.471837  0.273053  0.446698  1
  Ni  Ni118  1  0.861745  0.618050  0.390764  1
  Ni  Ni119  1  0.516182  0.840935  0.479869  1
  Ni  Ni120  1  0.911183  0.187602  0.424374  1
  Ni  Ni121  1  0.395885  0.174359  0.411255  1
  Ni  Ni122  1  0.998796  0.827093  0.466313  1
  Ni  Ni123  1  0.938394  0.681179  0.489169  1
  Ni  Ni124  1  0.334310  0.027323  0.433634  1
  Ni  Ni125  1  0.046724  0.432818  0.437272  1
  Ni  Ni126  1  0.439681  0.778431  0.381551  1
  Ni  Ni127  1  0.296179  0.466085  0.412087  1
  Ni  Ni128  1  0.905355  0.117746  0.467549  1
  Ni  Ni129  1  0.476068  0.342626  0.403299  1
  Ni  Ni130  1  0.084689  0.994634  0.458888  1
  Ni  Ni131  1  0.449318  0.675085  0.483395  1
  Ni  Ni132  1  0.843163  0.020633  0.427486  1
  Ni  Ni133  1  0.536676  0.438938  0.442906  1
  Ni  Ni134  1  0.932026  0.785622  0.388370  1
  Ni  Ni135  1  0.707686  0.737678  0.469041  1
  Ni  Ni136  1  0.101735  0.082233  0.414237  1
  Ni  Ni137  1  0.280229  0.378218  0.457688  1
  Ni  Ni138  1  0.670566  0.720986  0.400777  1
  Ni  Ni139  1  0.180017  0.702688  0.457212  1
  Ni  Ni140  1  0.574400  0.048522  0.401570  1
  Ni  Ni141  1  0.805838  0.411049  0.469131  1
  Ni  Ni142  1  0.200267  0.757037  0.413624  1
  Ni  Ni143  1  0.104491  0.594164  0.418785  1
  Ni  Ni144  1  0.713925  0.247354  0.474454  1
  Ni  Ni145  1  0.669730  0.211688  0.396347  1
  Ni  Ni146  1  0.275413  0.865475  0.451908  1
  Ni  Ni147  1  0.380708  0.632713  0.404380  1
  Ni  Ni148  1  0.987652  0.286121  0.460069  1
  Ni  Ni149  1  0.207426  0.863120  0.574504  1
  Ni  Ni150  1  0.601446  0.209712  0.518656  1
  Ni  Ni151  1  0.030666  0.821303  0.539625  1
  Ni  Ni152  1  0.638231  0.474333  0.594848  1
  Ni  Ni153  1  0.168916  0.599830  0.498103  1
  Ni  Ni154  1  0.777860  0.252650  0.553550  1
  Ni  Ni155  1  0.814955  0.921175  0.546040  1
  Ni  Ni156  1  0.209361  0.266695  0.489461  1
  Ni  Ni157  1  0.601247  0.804795  0.601689  1
  Ni  Ni158  1  0.992723  0.152102  0.547517  1
  Ni  Ni159  1  0.683055  0.578985  0.557506  1
  Ni  Ni160  1  0.078056  0.925651  0.502012  1
  Ni  Ni161  1  0.732493  0.148536  0.591117  1
  Ni  Ni162  1  0.122401  0.493534  0.535182  1
  Ni  Ni163  1  0.606586  0.480466  0.521811  1
  Ni  Ni164  1  0.213530  0.133874  0.577500  1
  Ni  Ni165  1  0.154557  0.988156  0.600330  1
  Ni  Ni166  1  0.547514  0.333769  0.544608  1
  Ni  Ni167  1  0.259928  0.739263  0.548247  1
  Ni  Ni168  1  0.655844  0.085408  0.492711  1
  Ni  Ni169  1  0.509549  0.771952  0.522993  1
  Ni  Ni170  1  0.118170  0.423960  0.578582  1
  Ni  Ni171  1  0.688883  0.648841  0.514332  1
  Ni  Ni172  1  0.298059  0.300502  0.569794  1
  Ni  Ni173  1  0.662212  0.980965  0.593510  1
  Ni  Ni174  1  0.057562  0.327649  0.538974  1
  Ni  Ni175  1  0.751075  0.745954  0.554395  1
  Ni  Ni176  1  0.144921  0.091501  0.498486  1
  Ni  Ni177  1  0.923672  0.045600  0.581104  1
  Ni  Ni178  1  0.314009  0.388369  0.524193  1
  Ni  Ni179  1  0.492503  0.684353  0.567643  1
  Ni  Ni180  1  0.886552  0.028909  0.512840  1
  Ni  Ni181  1  0.393971  1.009549  0.568257  1
  Ni  Ni182  1  0.788400  0.355538  0.512750  1
  Ni  Ni183  1  0.019838  0.718065  0.580311  1
  Ni  Ni184  1  0.414221  0.063898  0.524669  1
  Ni  Ni185  1  0.318825  0.901111  0.529973  1
  Ni  Ni186  1  0.924508  0.554899  0.585534  1
  Ni  Ni187  1  0.880313  0.519233  0.507427  1
  Ni  Ni188  1  0.489747  0.172422  0.563095  1
  Ni  Ni189  1  0.595442  0.939494  0.515567  1
  Ni  Ni190  1  0.198353  0.592227  0.570626  1
  Ni  Ni191  1  0.438981  0.174288  0.687217  1
  Ni  Ni192  1  0.813301  0.519020  0.629860  1
  Ni  Ni193  1  0.255342  0.132695  0.652292  1
  Ni  Ni194  1  0.904189  0.777433  0.705503  1
  Ni  Ni195  1  0.385452  0.905123  0.608882  1
  Ni  Ni196  1  0.992657  0.556514  0.664058  1
  Ni  Ni197  1  0.033139  0.230168  0.660255  1
  Ni  Ni198  1  0.421657  0.572581  0.599181  1
  Ni  Ni199  1  0.848536  0.094554  0.708445  1
  Ni  Ni200  1  0.211631  0.459076  0.657338  1
  Ni  Ni201  1  0.917329  0.886876  0.669353  1
  Ni  Ni202  1  0.297543  0.232773  0.612926  1
  Ni  Ni203  1  0.925778  0.447489  0.701068  1
  Ni  Ni204  1  0.334563  0.801710  0.647149  1
  Ni  Ni205  1  0.820768  0.789191  0.633974  1
  Ni  Ni206  1  0.433248  0.447422  0.687835  1
  Ni  Ni207  1  0.372766  0.303737  0.710123  1
  Ni  Ni208  1  0.762311  0.645688  0.656401  1
  Ni  Ni209  1  0.481883  0.046787  0.659596  1
  Ni  Ni210  1  0.869522  0.392549  0.603914  1
  Ni  Ni211  1  0.727121  0.074935  0.633313  1
  Ni  Ni212  1  0.329735  0.732226  0.688525  1
  Ni  Ni213  1  0.908358  0.956064  0.626388  1
  Ni  Ni214  1  0.509839  0.612306  0.681016  1
  Ni  Ni215  1  0.890507  0.274220  0.701615  1
  Ni  Ni216  1  0.271344  0.632001  0.650403  1
  Ni  Ni217  1  0.979094  0.054124  0.666980  1
  Ni  Ni218  1  0.358657  0.399133  0.609477  1
  Ni  Ni219  1  0.144828  0.361688  0.692221  1
  Ni  Ni220  1  0.534107  0.708275  0.638914  1
  Ni  Ni221  1  0.714202  0.980970  0.678582  1
  Ni  Ni222  1  0.102537  0.333192  0.624325  1
  Ni  Ni223  1  0.621418  0.322467  0.681335  1
  Ni  Ni224  1  1.000043  0.663647  0.623613  1
  Ni  Ni225  1  0.243182  0.027440  0.690519  1
  Ni  Ni226  1  0.628143  0.373128  0.636052  1
  Ni  Ni227  1  0.540402  0.210245  0.641724  1
  Ni  Ni228  1  0.166237  0.865214  0.695158  1
  Ni  Ni229  1  0.096997  0.826814  0.619142  1
  Ni  Ni230  1  0.704058  0.483153  0.672978  1
  Ni  Ni231  1  0.813139  0.245681  0.626965  1
  Ni  Ni232  1  0.429921  0.898533  0.681147  1
