# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63096493
_cell_length_b   18.23261746
_cell_length_c   59.04662584
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.82205025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8118.11087231
_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  0.927904  0.523189  0.408169  1
  Zr  Zr2  1  0.812710  0.171293  0.311638  1
  Zr  Zr3  1  0.876723  0.846808  0.360720  1
  Zr  Zr4  1  0.869671  0.799992  0.295072  1
  Zr  Zr5  1  0.922126  0.469836  0.342170  1
  Zr  Zr6  1  0.977523  0.145847  0.390182  1
  Zr  Zr7  1  0.350585  0.740949  0.327000  1
  Zr  Zr8  1  0.402606  0.416754  0.374075  1
  Zr  Zr9  1  0.459142  0.092297  0.422126  1
  Zr  Zr10  1  0.448133  0.575761  0.376240  1
  Zr  Zr11  1  0.336527  0.202747  0.287012  1
  Zr  Zr12  1  0.398370  0.904809  0.327554  1
  Zr  Zr13  1  0.510964  0.751641  0.405470  1
  Zr  Zr14  1  0.396970  0.396496  0.311273  1
  Zr  Zr15  1  0.454409  0.075585  0.358731  1
  Zr  Zr16  1  0.288817  0.562387  0.301264  1
  Zr  Zr17  1  0.337714  0.242346  0.345072  1
  Zr  Zr18  1  0.396954  0.917423  0.392309  1
  Zr  Zr19  1  0.994391  0.684493  0.376452  1
  Zr  Zr20  1  0.872858  0.327223  0.283896  1
  Zr  Zr21  1  0.942027  0.008985  0.327394  1
  Zr  Zr22  1  0.801056  0.633335  0.325549  1
  Zr  Zr23  1  0.855755  0.308260  0.374275  1
  Zr  Zr24  1  0.912862  0.983864  0.421563  1
  Zr  Zr25  1  0.097496  0.550443  0.551632  1
  Zr  Zr26  1  0.985266  0.198835  0.456054  1
  Zr  Zr27  1  0.041091  0.874362  0.503585  1
  Zr  Zr28  1  0.034329  0.821417  0.437643  1
  Zr  Zr29  1  0.090658  0.497539  0.485648  1
  Zr  Zr30  1  0.146651  0.173053  0.533087  1
  Zr  Zr31  1  0.514183  0.768409  0.469771  1
  Zr  Zr32  1  0.570810  0.444668  0.517563  1
  Zr  Zr33  1  0.627513  0.119984  0.564968  1
  Zr  Zr34  1  0.617521  0.603532  0.519521  1
  Zr  Zr35  1  0.504334  0.251954  0.424117  1
  Zr  Zr36  1  0.561135  0.927277  0.471633  1
  Zr  Zr37  1  0.679781  0.778513  0.549160  1
  Zr  Zr38  1  0.567254  0.427601  0.453629  1
  Zr  Zr39  1  0.623321  0.102825  0.501220  1
  Zr  Zr40  1  0.451943  0.593316  0.440169  1
  Zr  Zr41  1  0.508590  0.269066  0.487922  1
  Zr  Zr42  1  0.564463  0.944230  0.535501  1
  Zr  Zr43  1  0.163651  0.712114  0.519840  1
  Zr  Zr44  1  0.051149  0.361100  0.424407  1
  Zr  Zr45  1  0.107485  0.036051  0.471884  1
  Zr  Zr46  1  0.967903  0.659775  0.469468  1
  Zr  Zr47  1  0.024431  0.335852  0.517281  1
  Zr  Zr48  1  0.080681  0.010751  0.564731  1
  Zr  Zr49  1  0.264756  0.567864  0.693394  1
  Zr  Zr50  1  0.154665  0.226094  0.598934  1
  Zr  Zr51  1  0.209987  0.902333  0.646745  1
  Zr  Zr52  1  0.203332  0.848534  0.581089  1
  Zr  Zr53  1  0.256267  0.524991  0.628574  1
  Zr  Zr54  1  0.320328  0.200310  0.677609  1
  Zr  Zr55  1  0.683093  0.795854  0.613128  1
  Zr  Zr56  1  0.734243  0.468041  0.661663  1
  Zr  Zr57  1  0.796285  0.169480  0.702174  1
  Zr  Zr58  1  0.787430  0.632324  0.663593  1
  Zr  Zr59  1  0.673109  0.279627  0.567031  1
  Zr  Zr60  1  0.731325  0.955081  0.615081  1
  Zr  Zr61  1  0.848361  0.805235  0.689280  1
  Zr  Zr62  1  0.735282  0.454457  0.596848  1
  Zr  Zr63  1  0.795345  0.129241  0.644124  1
  Zr  Zr64  1  0.620688  0.620338  0.583804  1
  Zr  Zr65  1  0.678000  0.296004  0.630374  1
  Zr  Zr66  1  0.735578  0.973886  0.677692  1
  Zr  Zr67  1  0.334065  0.738513  0.663499  1
  Zr  Zr68  1  0.219249  0.388013  0.567610  1
  Zr  Zr69  1  0.276783  0.063846  0.614816  1
  Zr  Zr70  1  0.136452  0.687365  0.612936  1
  Zr  Zr71  1  0.190686  0.361896  0.661635  1
  Zr  Zr72  1  0.260259  0.042994  0.705151  1
  Ni  Ni73  1  0.819531  0.650913  0.280323  1
  Ni  Ni74  1  0.869118  0.319649  0.327412  1
  Ni  Ni75  1  0.927410  0.996354  0.374460  1
  Ni  Ni76  1  0.693645  0.633364  0.404676  1
  Ni  Ni77  1  0.581265  0.279581  0.309653  1
  Ni  Ni78  1  0.639216  0.959202  0.357451  1
  Ni  Ni79  1  0.105582  0.680720  0.298218  1
  Ni  Ni80  1  0.153423  0.358200  0.345304  1
  Ni  Ni81  1  0.212459  0.035067  0.393415  1
  Ni  Ni82  1  0.772057  0.566346  0.368688  1
  Ni  Ni83  1  0.830651  0.242732  0.417145  1
  Ni  Ni84  1  0.720259  0.888604  0.324277  1
  Ni  Ni85  1  0.022458  0.751372  0.332342  1
  Ni  Ni86  1  0.076924  0.426126  0.381336  1
  Ni  Ni87  1  0.744043  0.948552  0.289555  1
  Ni  Ni88  1  0.534252  0.821445  0.362724  1
  Ni  Ni89  1  0.584971  0.496472  0.411147  1
  Ni  Ni90  1  0.476849  0.146098  0.320572  1
  Ni  Ni91  1  0.263619  0.494544  0.339689  1
  Ni  Ni92  1  0.321237  0.172872  0.387568  1
  Ni  Ni93  1  0.213105  0.821338  0.294161  1
  Ni  Ni94  1  0.208410  0.820509  0.362915  1
  Ni  Ni95  1  0.260853  0.496041  0.411051  1
  Ni  Ni96  1  0.142772  0.142745  0.317684  1
  Ni  Ni97  1  0.243969  0.633885  0.405939  1
  Ni  Ni98  1  0.128010  0.279897  0.309339  1
  Ni  Ni99  1  0.191503  0.959957  0.357078  1
  Ni  Ni100  1  0.546006  0.681581  0.296100  1
  Ni  Ni101  1  0.607969  0.359585  0.344416  1
  Ni  Ni102  1  0.666478  0.035418  0.392530  1
  Ni  Ni103  1  0.473618  0.621544  0.335001  1
  Ni  Ni104  1  0.527009  0.298416  0.383033  1
  Ni  Ni105  1  0.419231  0.948530  0.287496  1
  Ni  Ni106  1  0.324516  0.695262  0.367786  1
  Ni  Ni107  1  0.380020  0.371344  0.415509  1
  Ni  Ni108  1  0.281852  0.028419  0.316802  1
  Ni  Ni109  1  0.131282  0.615357  0.336552  1
  Ni  Ni110  1  0.188171  0.292363  0.384202  1
  Ni  Ni111  1  0.086158  0.941917  0.290437  1
  Ni  Ni112  1  0.661857  0.701192  0.366255  1
  Ni  Ni113  1  0.718367  0.377282  0.414489  1
  Ni  Ni114  1  0.615186  0.026986  0.319575  1
  Ni  Ni115  1  0.121101  0.556531  0.372842  1
  Ni  Ni116  1  0.176917  0.233114  0.420322  1
  Ni  Ni117  1  0.066331  0.882048  0.325296  1
  Ni  Ni118  1  0.678036  0.757861  0.329291  1
  Ni  Ni119  1  0.729358  0.436110  0.378267  1
  Ni  Ni120  1  0.519219  0.085064  0.285533  1
  Ni  Ni121  1  0.946349  0.542043  0.300999  1
  Ni  Ni122  1  1.002766  0.217628  0.348324  1
  Ni  Ni123  1  0.062795  0.894403  0.396183  1
  Ni  Ni124  1  0.846347  0.774805  0.401708  1
  Ni  Ni125  1  0.735782  0.422041  0.306903  1
  Ni  Ni126  1  0.791954  0.099668  0.353312  1
  Ni  Ni127  1  0.610126  0.540849  0.299316  1
  Ni  Ni128  1  0.663590  0.219039  0.348788  1
  Ni  Ni129  1  0.717039  0.894363  0.395851  1
  Ni  Ni130  1  0.190719  0.774497  0.402105  1
  Ni  Ni131  1  0.076767  0.422235  0.307104  1
  Ni  Ni132  1  0.135111  0.098529  0.355283  1
  Ni  Ni133  1  0.587031  0.497058  0.338513  1
  Ni  Ni134  1  0.646272  0.172959  0.387736  1
  Ni  Ni135  1  0.539000  0.823259  0.293856  1
  Ni  Ni136  1  0.981234  0.672209  0.422977  1
  Ni  Ni137  1  0.037831  0.348256  0.470810  1
  Ni  Ni138  1  0.094005  0.023611  0.518352  1
  Ni  Ni139  1  0.862299  0.660586  0.548269  1
  Ni  Ni140  1  0.749964  0.309378  0.452705  1
  Ni  Ni141  1  0.806315  0.984613  0.500234  1
  Ni  Ni142  1  0.269434  0.711324  0.441075  1
  Ni  Ni143  1  0.325608  0.387244  0.488943  1
  Ni  Ni144  1  0.381844  0.062491  0.536435  1
  Ni  Ni145  1  0.943187  0.594103  0.512512  1
  Ni  Ni146  1  0.998511  0.269453  0.560071  1
  Ni  Ni147  1  0.886871  0.918005  0.464517  1
  Ni  Ni148  1  0.188382  0.777772  0.476776  1
  Ni  Ni149  1  0.245042  0.453881  0.524689  1
  Ni  Ni150  1  0.133603  0.102413  0.429070  1
  Ni  Ni151  1  0.697993  0.847469  0.506717  1
  Ni  Ni152  1  0.754356  0.523875  0.554688  1
  Ni  Ni153  1  0.642160  0.172021  0.459051  1
  Ni  Ni154  1  0.433740  0.524383  0.482537  1
  Ni  Ni155  1  0.489798  0.199904  0.530070  1
  Ni  Ni156  1  0.377557  0.848064  0.434577  1
  Ni  Ni157  1  0.373495  0.847177  0.506434  1
  Ni  Ni158  1  0.430382  0.523586  0.554267  1
  Ni  Ni159  1  0.317807  0.171770  0.458761  1
  Ni  Ni160  1  0.412845  0.661021  0.549280  1
  Ni  Ni161  1  0.300245  0.309677  0.453714  1
  Ni  Ni162  1  0.356241  0.984885  0.501243  1
  Ni  Ni163  1  0.718538  0.710876  0.440005  1
  Ni  Ni164  1  0.775545  0.387011  0.487919  1
  Ni  Ni165  1  0.831596  0.062177  0.535441  1
  Ni  Ni166  1  0.639188  0.649630  0.478310  1
  Ni  Ni167  1  0.695509  0.325552  0.526042  1
  Ni  Ni168  1  0.583711  0.973264  0.430504  1
  Ni  Ni169  1  0.492438  0.722325  0.511002  1
  Ni  Ni170  1  0.548364  0.398617  0.558647  1
  Ni  Ni171  1  0.436411  0.046350  0.463114  1
  Ni  Ni172  1  0.300706  0.643447  0.479488  1
  Ni  Ni173  1  0.357297  0.319476  0.527151  1
  Ni  Ni174  1  0.244957  0.967174  0.431564  1
  Ni  Ni175  1  0.830998  0.728480  0.509819  1
  Ni  Ni176  1  0.887109  0.404692  0.557619  1
  Ni  Ni177  1  0.774632  0.052427  0.461996  1
  Ni  Ni178  1  0.290604  0.584241  0.515771  1
  Ni  Ni179  1  0.346052  0.259742  0.563143  1
  Ni  Ni180  1  0.234239  0.908076  0.467770  1
  Ni  Ni181  1  0.841043  0.787652  0.473501  1
  Ni  Ni182  1  0.897604  0.463789  0.521446  1
  Ni  Ni183  1  0.786218  0.112164  0.425991  1
  Ni  Ni184  1  0.116792  0.569791  0.444316  1
  Ni  Ni185  1  0.173394  0.245704  0.492087  1
  Ni  Ni186  1  0.229389  0.920810  0.539679  1
  Ni  Ni187  1  0.014705  0.801999  0.544992  1
  Ni  Ni188  1  0.902383  0.450981  0.449516  1
  Ni  Ni189  1  0.958489  0.126179  0.497062  1
  Ni  Ni190  1  0.771233  0.570253  0.443617  1
  Ni  Ni191  1  0.828194  0.246046  0.491424  1
  Ni  Ni192  1  0.883929  0.921287  0.539054  1
  Ni  Ni193  1  0.360304  0.801570  0.545646  1
  Ni  Ni194  1  0.247727  0.450519  0.450179  1
  Ni  Ni195  1  0.303683  0.125852  0.497717  1
  Ni  Ni196  1  0.758186  0.524712  0.482794  1
  Ni  Ni197  1  0.814193  0.200134  0.530372  1
  Ni  Ni198  1  0.701464  0.848323  0.434952  1
  Ni  Ni199  1  0.150107  0.699575  0.566384  1
  Ni  Ni200  1  0.205142  0.375609  0.614732  1
  Ni  Ni201  1  0.263526  0.052542  0.661712  1
  Ni  Ni202  1  0.057963  0.691137  0.691859  1
  Ni  Ni203  1  0.919982  0.336844  0.595758  1
  Ni  Ni204  1  0.979337  0.012959  0.643881  1
  Ni  Ni205  1  0.437984  0.738509  0.584615  1
  Ni  Ni206  1  0.494247  0.412752  0.631694  1
  Ni  Ni207  1  0.552446  0.091976  0.679493  1
  Ni  Ni208  1  0.112979  0.619938  0.656696  1
  Ni  Ni209  1  0.390804  0.421315  0.699541  1
  Ni  Ni210  1  0.056587  0.945831  0.607678  1
  Ni  Ni211  1  0.357345  0.805165  0.620362  1
  Ni  Ni212  1  0.412045  0.481934  0.664939  1
  Ni  Ni213  1  0.301280  0.129162  0.571975  1
  Ni  Ni214  1  0.867429  0.875772  0.650304  1
  Ni  Ni215  1  0.923270  0.550244  0.695399  1
  Ni  Ni216  1  0.810957  0.198946  0.601572  1
  Ni  Ni217  1  0.600002  0.550745  0.626542  1
  Ni  Ni218  1  0.656155  0.225506  0.668612  1
  Ni  Ni219  1  0.546923  0.875381  0.577993  1
  Ni  Ni220  1  0.543378  0.875270  0.649897  1
  Ni  Ni221  1  0.593915  0.548136  0.695498  1
  Ni  Ni222  1  0.485790  0.198965  0.601380  1
  Ni  Ni223  1  0.566062  0.690384  0.693601  1
  Ni  Ni224  1  0.465883  0.336554  0.596624  1
  Ni  Ni225  1  0.524404  0.012877  0.644565  1
  Ni  Ni226  1  0.887329  0.737826  0.583542  1
  Ni  Ni227  1  0.939978  0.411834  0.632084  1
  Ni  Ni228  1  1.004249  0.091593  0.679875  1
  Ni  Ni229  1  0.807113  0.676728  0.622077  1
  Ni  Ni230  1  0.851043  0.343199  0.672223  1
  Ni  Ni231  1  0.751875  1.000442  0.573633  1
  Ni  Ni232  1  0.659223  0.750364  0.654736  1
  Ni  Ni233  1  0.715643  0.423189  0.701533  1
  Ni  Ni234  1  0.605596  0.073591  0.606019  1
  Ni  Ni235  1  0.469609  0.670921  0.623038  1
  Ni  Ni236  1  0.518448  0.344455  0.669385  1
  Ni  Ni237  1  0.413392  0.994522  0.574626  1
  Ni  Ni238  1  1.004028  0.756164  0.653216  1
  Ni  Ni239  1  0.048257  0.428802  0.698707  1
  Ni  Ni240  1  0.944407  0.079539  0.604960  1
  Ni  Ni241  1  0.459464  0.612982  0.659668  1
  Ni  Ni242  1  0.612479  0.286973  0.703584  1
  Ni  Ni243  1  0.404454  0.935682  0.610843  1
  Ni  Ni244  1  1.008902  0.815363  0.616738  1
  Ni  Ni245  1  0.065157  0.488989  0.663858  1
  Ni  Ni246  1  0.954906  0.138733  0.568829  1
  Ni  Ni247  1  0.285447  0.597175  0.587627  1
  Ni  Ni248  1  0.340625  0.271898  0.635753  1
  Ni  Ni249  1  0.398349  0.950405  0.681898  1
  Ni  Ni250  1  0.189503  0.832884  0.687292  1
  Ni  Ni251  1  0.069304  0.477544  0.593077  1
  Ni  Ni252  1  0.129883  0.154166  0.640859  1
  Ni  Ni253  1  0.940634  0.597329  0.587278  1
  Ni  Ni254  1  0.996992  0.273095  0.633835  1
  Ni  Ni255  1  0.055387  0.949289  0.682108  1
  Ni  Ni256  1  0.530418  0.833170  0.688617  1
  Ni  Ni257  1  0.415293  0.477592  0.593347  1
  Ni  Ni258  1  0.469407  0.152914  0.640364  1
  Ni  Ni259  1  0.924042  0.551510  0.626484  1
  Ni  Ni260  1  0.990106  0.228717  0.671468  1
  Ni  Ni261  1  0.870871  0.875630  0.578232  1
