# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.57512910
_cell_length_b   26.06969596
_cell_length_c   47.63641469
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.24175652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8152.36865417
_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  0.109953  0.911601  0.342418  1
  Zr  Zr2  1  0.525112  0.619617  0.393861  1
  Zr  Zr3  1  0.682024  0.206189  0.292236  1
  Zr  Zr4  1  0.673349  0.756705  0.357561  1
  Zr  Zr5  1  0.087827  0.465667  0.408935  1
  Zr  Zr6  1  0.255115  0.049520  0.306105  1
  Zr  Zr7  1  0.294685  0.657933  0.306707  1
  Zr  Zr8  1  0.718078  0.372242  0.357456  1
  Zr  Zr9  1  0.130247  0.066816  0.396091  1
  Zr  Zr10  1  0.488489  1.006447  0.393924  1
  Zr  Zr11  1  0.665343  0.596659  0.303415  1
  Zr  Zr12  1  0.051905  0.294810  0.344016  1
  Zr  Zr13  1  0.773204  0.896721  0.411943  1
  Zr  Zr14  1  0.927914  0.488103  0.319448  1
  Zr  Zr15  1  0.348155  0.186668  0.361442  1
  Zr  Zr16  1  0.990234  0.770020  0.289788  1
  Zr  Zr17  1  0.430019  0.480840  0.339474  1
  Zr  Zr18  1  0.846563  0.177012  0.379464  1
  Zr  Zr19  1  0.608850  0.910223  0.321649  1
  Zr  Zr20  1  0.027534  0.621855  0.375730  1
  Zr  Zr21  1  0.442941  0.320114  0.414472  1
  Zr  Zr22  1  0.170400  0.754426  0.376121  1
  Zr  Zr23  1  0.334729  0.340502  0.288849  1
  Zr  Zr24  1  0.757248  0.047761  0.325214  1
  Zr  Zr25  1  0.360383  0.024691  0.485577  1
  Zr  Zr26  1  0.778627  0.734288  0.537065  1
  Zr  Zr27  1  0.944832  0.315481  0.434520  1
  Zr  Zr28  1  0.929389  0.871297  0.501397  1
  Zr  Zr29  1  0.344940  0.580507  0.552455  1
  Zr  Zr30  1  0.511145  0.161700  0.449910  1
  Zr  Zr31  1  0.549571  0.775563  0.447589  1
  Zr  Zr32  1  0.976045  0.485665  0.500730  1
  Zr  Zr33  1  0.382917  0.179570  0.540230  1
  Zr  Zr34  1  0.740201  0.120425  0.539385  1
  Zr  Zr35  1  0.906855  0.716419  0.446744  1
  Zr  Zr36  1  0.313727  0.410323  0.486244  1
  Zr  Zr37  1  0.025237  0.009675  0.556425  1
  Zr  Zr38  1  0.190398  0.604789  0.463819  1
  Zr  Zr39  1  0.604292  0.300735  0.504518  1
  Zr  Zr40  1  0.264535  0.886313  0.430550  1
  Zr  Zr41  1  0.685480  0.595253  0.482456  1
  Zr  Zr42  1  0.099374  0.291199  0.523155  1
  Zr  Zr43  1  0.864554  0.027899  0.467522  1
  Zr  Zr44  1  0.283507  0.737205  0.519008  1
  Zr  Zr45  1  0.700615  0.434413  0.557911  1
  Zr  Zr46  1  0.425218  0.868089  0.519452  1
  Zr  Zr47  1  0.589157  0.461575  0.429063  1
  Zr  Zr48  1  0.006265  0.158783  0.467966  1
  Zr  Zr49  1  0.616423  0.139283  0.629413  1
  Zr  Zr50  1  0.034657  0.846468  0.680869  1
  Zr  Zr51  1  0.201945  0.430321  0.578039  1
  Zr  Zr52  1  0.179819  0.984387  0.644557  1
  Zr  Zr53  1  0.607748  0.689799  0.694738  1
  Zr  Zr54  1  0.764660  0.276371  0.593113  1
  Zr  Zr55  1  0.801283  0.889541  0.593050  1
  Zr  Zr56  1  0.237867  0.601178  0.642958  1
  Zr  Zr57  1  0.624429  0.299329  0.683559  1
  Zr  Zr58  1  0.995087  0.238055  0.680267  1
  Zr  Zr59  1  0.159525  0.829172  0.590883  1
  Zr  Zr60  1  0.571694  0.523746  0.629518  1
  Zr  Zr61  1  0.299538  0.125968  0.697186  1
  Zr  Zr62  1  0.443209  0.718976  0.607510  1
  Zr  Zr63  1  0.859753  0.415148  0.647500  1
  Zr  Zr64  1  0.516568  0.999267  0.575031  1
  Zr  Zr65  1  0.941617  0.709320  0.625532  1
  Zr  Zr66  1  0.361858  0.407885  0.667526  1
  Zr  Zr67  1  0.119372  0.141562  0.610853  1
  Zr  Zr68  1  0.532524  0.848227  0.661760  1
  Zr  Zr69  1  0.955043  0.555487  0.698125  1
  Zr  Zr70  1  0.680922  0.985765  0.665325  1
  Zr  Zr71  1  0.846831  0.575874  0.572502  1
  Zr  Zr72  1  0.262238  0.274133  0.611244  1
  Ni  Ni73  1  0.389385  0.832717  0.348618  1
  Ni  Ni74  1  0.806385  0.542815  0.401775  1
  Ni  Ni75  1  0.961945  0.125405  0.294285  1
  Ni  Ni76  1  0.447525  0.911147  0.377720  1
  Ni  Ni77  1  0.585295  0.500173  0.288514  1
  Ni  Ni78  1  0.015893  0.199952  0.326239  1
  Ni  Ni79  1  0.322336  0.754222  0.320760  1
  Ni  Ni80  1  0.755170  0.466207  0.373131  1
  Ni  Ni81  1  0.172347  0.162572  0.413131  1
  Ni  Ni82  1  0.432415  0.985638  0.340091  1
  Ni  Ni83  1  0.838736  0.694858  0.395442  1
  Ni  Ni84  1  0.992985  0.278096  0.292702  1
  Ni  Ni85  1  0.356578  0.681491  0.356821  1
  Ni  Ni86  1  0.787204  0.389351  0.409175  1
  Ni  Ni87  1  0.930262  0.972481  0.306715  1
  Ni  Ni88  1  0.114090  0.951703  0.392400  1
  Ni  Ni89  1  0.272146  0.545681  0.301068  1
  Ni  Ni90  1  0.689700  0.239036  0.342477  1
  Ni  Ni91  1  0.652120  0.712419  0.307514  1
  Ni  Ni92  1  0.082293  0.427876  0.356237  1
  Ni  Ni93  1  0.503481  0.121236  0.399619  1
  Ni  Ni94  1  0.941785  0.874909  0.296265  1
  Ni  Ni95  1  0.366263  0.585376  0.345935  1
  Ni  Ni96  1  0.777716  0.284053  0.387585  1
  Ni  Ni97  1  0.290931  0.844494  0.299920  1
  Ni  Ni98  1  0.720834  0.554362  0.352037  1
  Ni  Ni99  1  0.139073  0.253603  0.393278  1
  Ni  Ni100  1  0.480447  0.821861  0.398206  1
  Ni  Ni101  1  0.625805  0.411909  0.306684  1
  Ni  Ni102  1  0.059502  0.112017  0.344980  1
  Ni  Ni103  1  0.935522  0.667421  0.285703  1
  Ni  Ni104  1  0.339636  0.374171  0.337366  1
  Ni  Ni105  1  0.774291  0.069304  0.375797  1
  Ni  Ni106  1  0.844516  1.004600  0.415937  1
  Ni  Ni107  1  0.008504  0.598966  0.324941  1
  Ni  Ni108  1  0.429198  0.293845  0.360968  1
  Ni  Ni109  1  0.993210  0.701694  0.333914  1
  Ni  Ni110  1  0.413385  0.415040  0.385657  1
  Ni  Ni111  1  0.574781  0.996385  0.287025  1
  Ni  Ni112  1  0.786456  0.965747  0.365328  1
  Ni  Ni113  1  0.201072  0.674579  0.418498  1
  Ni  Ni114  1  0.353504  0.250420  0.314557  1
  Ni  Ni115  1  0.266126  0.942010  0.294847  1
  Ni  Ni116  1  0.689633  0.650626  0.345875  1
  Ni  Ni117  1  0.105195  0.353675  0.386821  1
  Ni  Ni118  1  0.503136  0.724463  0.404359  1
  Ni  Ni119  1  0.665809  0.313261  0.313687  1
  Ni  Ni120  1  0.096200  0.015131  0.352165  1
  Ni  Ni121  1  0.014161  0.810154  0.335971  1
  Ni  Ni122  1  0.435146  0.518903  0.388336  1
  Ni  Ni123  1  0.587277  0.100864  0.285237  1
  Ni  Ni124  1  0.761502  0.858480  0.361989  1
  Ni  Ni125  1  0.179735  0.565879  0.415253  1
  Ni  Ni126  1  0.337305  0.151169  0.310878  1
  Ni  Ni127  1  0.110601  0.849798  0.385586  1
  Ni  Ni128  1  0.262185  0.440219  0.296393  1
  Ni  Ni129  1  0.687073  0.141396  0.332933  1
  Ni  Ni130  1  0.656882  0.812240  0.312421  1
  Ni  Ni131  1  0.089727  0.526970  0.364685  1
  Ni  Ni132  1  0.508802  0.223587  0.406156  1
  Ni  Ni133  1  0.837760  0.792014  0.405107  1
  Ni  Ni134  1  0.986611  0.377397  0.311945  1
  Ni  Ni135  1  0.419238  0.082747  0.352680  1
  Ni  Ni136  1  0.644886  0.947994  0.493487  1
  Ni  Ni137  1  0.060672  0.657315  0.544945  1
  Ni  Ni138  1  0.229100  0.238673  0.442029  1
  Ni  Ni139  1  0.699066  0.024462  0.523095  1
  Ni  Ni140  1  0.864283  0.619364  0.430959  1
  Ni  Ni141  1  0.280008  0.315174  0.470762  1
  Ni  Ni142  1  0.590706  0.871526  0.463879  1
  Ni  Ni143  1  0.009764  0.580814  0.516212  1
  Ni  Ni144  1  0.425489  0.276624  0.556016  1
  Ni  Ni145  1  0.672838  0.099897  0.487968  1
  Ni  Ni146  1  0.092116  0.809400  0.539274  1
  Ni  Ni147  1  0.244131  0.392131  0.434949  1
  Ni  Ni148  1  0.616934  0.796091  0.499006  1
  Ni  Ni149  1  0.045641  0.503857  0.552025  1
  Ni  Ni150  1  0.197656  0.086588  0.447700  1
  Ni  Ni151  1  0.367043  0.064741  0.535967  1
  Ni  Ni152  1  0.533164  0.660323  0.443886  1
  Ni  Ni153  1  0.948580  0.353525  0.485746  1
  Ni  Ni154  1  0.922729  0.831247  0.451007  1
  Ni  Ni155  1  0.341192  0.542463  0.501228  1
  Ni  Ni156  1  0.756608  0.235665  0.543088  1
  Ni  Ni157  1  0.199148  0.990853  0.437927  1
  Ni  Ni158  1  0.618086  0.700164  0.489536  1
  Ni  Ni159  1  0.036114  0.398283  0.530670  1
  Ni  Ni160  1  0.556227  0.961044  0.444149  1
  Ni  Ni161  1  0.974881  0.670217  0.495818  1
  Ni  Ni162  1  0.393145  0.367651  0.536132  1
  Ni  Ni163  1  0.733545  0.934944  0.542825  1
  Ni  Ni164  1  0.896627  0.528337  0.450842  1
  Ni  Ni165  1  0.314891  0.225771  0.491156  1
  Ni  Ni166  1  0.192092  0.778313  0.427141  1
  Ni  Ni167  1  0.603666  0.488979  0.481235  1
  Ni  Ni168  1  0.025229  0.182442  0.519327  1
  Ni  Ni169  1  0.097680  0.117675  0.559833  1
  Ni  Ni170  1  0.264543  0.713546  0.467647  1
  Ni  Ni171  1  0.686106  0.407009  0.505739  1
  Ni  Ni172  1  0.254530  0.816890  0.476102  1
  Ni  Ni173  1  0.672538  0.529413  0.528928  1
  Ni  Ni174  1  0.835321  0.107660  0.424945  1
  Ni  Ni175  1  0.035242  0.079098  0.510872  1
  Ni  Ni176  1  0.454451  0.788328  0.562030  1
  Ni  Ni177  1  0.617234  0.366575  0.458047  1
  Ni  Ni178  1  0.533522  0.057213  0.438726  1
  Ni  Ni179  1  0.953616  0.767153  0.490680  1
  Ni  Ni180  1  0.364391  0.467003  0.530052  1
  Ni  Ni181  1  0.756250  0.838775  0.548249  1
  Ni  Ni182  1  0.925381  0.428985  0.456922  1
  Ni  Ni183  1  0.336156  0.128835  0.496294  1
  Ni  Ni184  1  0.272497  0.923675  0.479843  1
  Ni  Ni185  1  0.690554  0.633017  0.531633  1
  Ni  Ni186  1  0.855202  0.214911  0.428526  1
  Ni  Ni187  1  0.017275  0.972313  0.507131  1
  Ni  Ni188  1  0.434570  0.681077  0.558449  1
  Ni  Ni189  1  0.599218  0.262971  0.455341  1
  Ni  Ni190  1  0.363395  0.963110  0.529592  1
  Ni  Ni191  1  0.527385  0.557860  0.437886  1
  Ni  Ni192  1  0.944274  0.253801  0.478119  1
  Ni  Ni193  1  0.926377  0.932878  0.457382  1
  Ni  Ni194  1  0.345498  0.642187  0.508855  1
  Ni  Ni195  1  0.762387  0.338128  0.549088  1
  Ni  Ni196  1  0.090624  0.905135  0.549047  1
  Ni  Ni197  1  0.253658  0.497705  0.456304  1
  Ni  Ni198  1  0.671686  0.195824  0.497438  1
  Ni  Ni199  1  0.900387  0.063271  0.638356  1
  Ni  Ni200  1  0.327827  0.770583  0.692690  1
  Ni  Ni201  1  0.483387  0.353173  0.585199  1
  Ni  Ni202  1  0.967436  0.141766  0.666214  1
  Ni  Ni203  1  0.117425  0.733416  0.573843  1
  Ni  Ni204  1  0.534602  0.429781  0.613843  1
  Ni  Ni205  1  0.842247  0.984841  0.609254  1
  Ni  Ni206  1  0.273879  0.696036  0.660735  1
  Ni  Ni207  1  0.704477  0.395815  0.698460  1
  Ni  Ni208  1  0.933194  0.214497  0.630153  1
  Ni  Ni209  1  0.359510  0.923507  0.680259  1
  Ni  Ni210  1  0.502568  0.506637  0.577799  1
  Ni  Ni211  1  0.857357  0.910350  0.646883  1
  Ni  Ni212  1  0.296787  0.617892  0.694272  1
  Ni  Ni213  1  0.451036  0.201130  0.591532  1
  Ni  Ni214  1  0.637652  0.183569  0.679461  1
  Ni  Ni215  1  0.786291  0.774752  0.587356  1
  Ni  Ni216  1  0.207479  0.468112  0.630737  1
  Ni  Ni217  1  0.175682  0.944286  0.594574  1
  Ni  Ni218  1  0.600072  0.656952  0.644497  1
  Ni  Ni219  1  0.017626  0.350307  0.685906  1
  Ni  Ni220  1  0.452012  0.103974  0.581868  1
  Ni  Ni221  1  0.870534  0.813241  0.634294  1
  Ni  Ni222  1  0.303161  0.518591  0.675029  1
  Ni  Ni223  1  0.809325  0.074127  0.588768  1
  Ni  Ni224  1  0.230270  0.783971  0.641995  1
  Ni  Ni225  1  0.663967  0.484079  0.680291  1
  Ni  Ni226  1  0.998841  0.051494  0.687055  1
  Ni  Ni227  1  0.150699  0.642385  0.593696  1
  Ni  Ni228  1  0.568938  0.341626  0.634938  1
  Ni  Ni229  1  0.445256  0.891388  0.571038  1
  Ni  Ni230  1  0.860574  0.602144  0.626007  1
  Ni  Ni231  1  0.281268  0.297022  0.662033  1
  Ni  Ni232  1  0.354250  0.228568  0.701271  1
  Ni  Ni233  1  0.515481  0.826684  0.611177  1
  Ni  Ni234  1  0.950136  0.521817  0.649608  1
  Ni  Ni235  1  0.503316  0.930241  0.621647  1
  Ni  Ni236  1  0.936268  0.645568  0.672417  1
  Ni  Ni237  1  0.088700  0.221409  0.568476  1
  Ni  Ni238  1  0.296562  0.194294  0.653060  1
  Ni  Ni239  1  0.714991  0.899603  0.699949  1
  Ni  Ni240  1  0.876387  0.480948  0.601317  1
  Ni  Ni241  1  0.786636  0.171525  0.582615  1
  Ni  Ni242  1  0.193572  0.880857  0.634809  1
  Ni  Ni243  1  0.623963  0.582727  0.673287  1
  Ni  Ni244  1  0.023646  0.953979  0.692127  1
  Ni  Ni245  1  0.184577  0.542313  0.600153  1
  Ni  Ni246  1  0.600139  0.245362  0.641099  1
  Ni  Ni247  1  0.528270  0.037508  0.624985  1
  Ni  Ni248  1  0.952467  0.744819  0.676097  1
  Ni  Ni249  1  0.110037  0.330109  0.571721  1
  Ni  Ni250  1  0.275611  0.085834  0.651003  1
  Ni  Ni251  1  0.702495  0.795124  0.701737  1
  Ni  Ni252  1  0.854626  0.377085  0.598639  1
  Ni  Ni253  1  0.632890  0.083748  0.674553  1
  Ni  Ni254  1  0.780970  0.672401  0.580818  1
  Ni  Ni255  1  0.200045  0.369018  0.622290  1
  Ni  Ni256  1  0.179171  0.046191  0.601388  1
  Ni  Ni257  1  0.602699  0.754592  0.654041  1
  Ni  Ni258  1  0.027587  0.455770  0.690581  1
  Ni  Ni259  1  0.347987  0.021079  0.690709  1
  Ni  Ni260  1  0.512056  0.611935  0.599389  1
  Ni  Ni261  1  0.923509  0.310612  0.641040  1
