# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.61760779
_cell_length_b   16.02661407
_cell_length_c   51.50797118
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.28385267
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6198.12281344
_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  0.525230  0.058211  0.255598  1
  Zr  Zr2  1  0.674921  0.565843  0.313911  1
  Zr  Zr3  1  0.610172  0.298220  0.301538  1
  Zr  Zr4  1  0.769190  0.801572  0.359692  1
  Zr  Zr5  1  0.081989  0.376026  0.333189  1
  Zr  Zr6  1  0.081032  0.907296  0.266103  1
  Zr  Zr7  1  0.224547  0.968056  0.344895  1
  Zr  Zr8  1  0.209255  0.479551  0.282941  1
  Zr  Zr9  1  0.162381  0.155986  0.306706  1
  Zr  Zr10  1  0.310032  0.658370  0.366312  1
  Zr  Zr11  1  0.975743  0.200259  0.250940  1
  Zr  Zr12  1  0.132895  0.697292  0.306443  1
  Zr  Zr13  1  0.710803  0.024873  0.310870  1
  Zr  Zr14  1  0.717734  0.514322  0.251804  1
  Zr  Zr15  1  0.594886  0.325324  0.367684  1
  Zr  Zr16  1  0.587516  0.832650  0.298608  1
  Zr  Zr17  1  0.687686  0.046000  0.377758  1
  Zr  Zr18  1  0.834100  0.551588  0.438179  1
  Zr  Zr19  1  0.794564  0.291118  0.426378  1
  Zr  Zr20  1  0.939498  0.794688  0.485958  1
  Zr  Zr21  1  0.255769  0.369239  0.457048  1
  Zr  Zr22  1  0.232344  0.878152  0.393121  1
  Zr  Zr23  1  0.396494  0.962805  0.470518  1
  Zr  Zr24  1  0.371642  0.473145  0.407423  1
  Zr  Zr25  1  0.335791  0.151281  0.431808  1
  Zr  Zr26  1  0.479966  0.651577  0.491958  1
  Zr  Zr27  1  0.146073  0.190045  0.372473  1
  Zr  Zr28  1  0.292814  0.690515  0.432208  1
  Zr  Zr29  1  0.879371  0.018367  0.436989  1
  Zr  Zr30  1  0.860467  0.521638  0.372735  1
  Zr  Zr31  1  0.768512  0.320330  0.492006  1
  Zr  Zr32  1  0.748024  0.823756  0.426689  1
  Zr  Zr33  1  0.860383  0.040570  0.503542  1
  Zr  Zr34  1  1.005317  0.544140  0.563122  1
  Zr  Zr35  1  0.965781  0.283669  0.551320  1
  Zr  Zr36  1  0.112196  0.789258  0.611741  1
  Zr  Zr37  1  0.428240  0.362113  0.582077  1
  Zr  Zr38  1  0.403388  0.872453  0.518982  1
  Zr  Zr39  1  0.567537  0.957105  0.596379  1
  Zr  Zr40  1  0.544113  0.466018  0.532452  1
  Zr  Zr41  1  0.507067  0.144743  0.557292  1
  Zr  Zr42  1  0.653809  0.645213  0.617027  1
  Zr  Zr43  1  0.319915  0.183680  0.497542  1
  Zr  Zr44  1  0.464091  0.683977  0.557692  1
  Zr  Zr45  1  0.051857  0.011501  0.562811  1
  Zr  Zr46  1  0.031370  0.514928  0.497493  1
  Zr  Zr47  1  0.939415  0.313620  0.616765  1
  Zr  Zr48  1  0.920511  0.816891  0.552511  1
  Zr  Zr49  1  0.030691  0.033685  0.629808  1
  Zr  Zr50  1  0.189709  0.537037  0.687962  1
  Zr  Zr51  1  0.124961  0.269415  0.675589  1
  Zr  Zr52  1  0.274652  0.777047  0.733902  1
  Zr  Zr53  1  0.590626  0.355707  0.706559  1
  Zr  Zr54  1  0.575334  0.867202  0.644605  1
  Zr  Zr55  1  0.718849  0.927962  0.723397  1
  Zr  Zr56  1  0.717892  0.459231  0.656311  1
  Zr  Zr57  1  0.666987  0.137965  0.683056  1
  Zr  Zr58  1  0.824139  0.634999  0.738559  1
  Zr  Zr59  1  0.489849  0.176888  0.623188  1
  Zr  Zr60  1  0.637500  0.679272  0.682794  1
  Zr  Zr61  1  0.212366  0.002608  0.690892  1
  Zr  Zr62  1  0.204996  0.509933  0.621816  1
  Zr  Zr63  1  0.082148  0.320936  0.737696  1
  Zr  Zr64  1  0.089078  0.810385  0.678630  1
  Ni  Ni65  1  0.650682  0.173338  0.340027  1
  Ni  Ni66  1  0.644421  0.683998  0.271985  1
  Ni  Ni67  1  0.407200  0.092270  0.342390  1
  Ni  Ni68  1  0.402678  0.602351  0.276673  1
  Ni  Ni69  1  0.893444  0.254066  0.337542  1
  Ni  Ni70  1  0.908366  0.767180  0.271181  1
  Ni  Ni71  1  0.563018  0.938710  0.342275  1
  Ni  Ni72  1  0.548253  0.451263  0.289044  1
  Ni  Ni73  1  0.738637  0.411606  0.332567  1
  Ni  Ni74  1  0.741355  0.920302  0.267226  1
  Ni  Ni75  1  0.192084  0.059242  0.262765  1
  Ni  Ni76  1  0.342335  0.559207  0.322762  1
  Ni  Ni77  1  0.951526  0.295546  0.291920  1
  Ni  Ni78  1  0.107214  0.802268  0.349189  1
  Ni  Ni79  1  0.863397  0.057681  0.262728  1
  Ni  Ni80  1  0.018110  0.549796  0.323472  1
  Ni  Ni81  1  0.952961  0.095501  0.342945  1
  Ni  Ni82  1  0.937477  0.600808  0.278033  1
  Ni  Ni83  1  0.353050  0.253477  0.336718  1
  Ni  Ni84  1  0.321398  0.763802  0.269402  1
  Ni  Ni85  1  0.051698  0.368428  0.253889  1
  Ni  Ni86  1  0.251604  0.855217  0.307492  1
  Ni  Ni87  1  0.041135  0.003958  0.303007  1
  Ni  Ni88  1  0.203696  0.500360  0.362920  1
  Ni  Ni89  1  0.741725  0.347506  0.257122  1
  Ni  Ni90  1  0.919216  0.859591  0.310174  1
  Ni  Ni91  1  0.378126  0.997354  0.299736  1
  Ni  Ni92  1  0.532244  0.504236  0.362014  1
  Ni  Ni93  1  0.912488  0.943736  0.349719  1
  Ni  Ni94  1  0.885586  0.444914  0.290657  1
  Ni  Ni95  1  0.397048  0.408992  0.329067  1
  Ni  Ni96  1  0.406335  0.911418  0.260306  1
  Ni  Ni97  1  0.641724  0.201824  0.258852  1
  Ni  Ni98  1  0.805497  0.705037  0.315558  1
  Ni  Ni99  1  0.485336  0.156015  0.297388  1
  Ni  Ni100  1  0.639482  0.658018  0.356461  1
  Ni  Ni101  1  0.305364  0.205382  0.258136  1
  Ni  Ni102  1  0.456500  0.704484  0.314859  1
  Ni  Ni103  1  0.830573  0.158017  0.297502  1
  Ni  Ni104  1  0.982840  0.657159  0.356631  1
  Ni  Ni105  1  0.266893  0.310679  0.291333  1
  Ni  Ni106  1  0.429840  0.807497  0.349576  1
  Ni  Ni107  1  0.825733  0.166375  0.465195  1
  Ni  Ni108  1  0.802933  0.676204  0.398901  1
  Ni  Ni109  1  0.579268  0.087286  0.467563  1
  Ni  Ni110  1  0.558805  0.595605  0.402174  1
  Ni  Ni111  1  0.069783  0.246939  0.462147  1
  Ni  Ni112  1  0.049580  0.754666  0.396062  1
  Ni  Ni113  1  0.733539  0.933052  0.468818  1
  Ni  Ni114  1  0.707875  0.437857  0.407770  1
  Ni  Ni115  1  0.919095  0.404822  0.456898  1
  Ni  Ni116  1  0.894288  0.908299  0.394956  1
  Ni  Ni117  1  0.350133  0.045555  0.388277  1
  Ni  Ni118  1  0.500256  0.553869  0.448773  1
  Ni  Ni119  1  0.127599  0.288059  0.415748  1
  Ni  Ni120  1  0.276638  0.795548  0.475629  1
  Ni  Ni121  1  0.028488  0.040522  0.387821  1
  Ni  Ni122  1  0.175350  0.541678  0.448615  1
  Ni  Ni123  1  0.126313  0.089072  0.468069  1
  Ni  Ni124  1  0.098603  0.594549  0.402594  1
  Ni  Ni125  1  0.530029  0.247934  0.461781  1
  Ni  Ni126  1  0.502330  0.753254  0.395615  1
  Ni  Ni127  1  0.253561  0.349228  0.377055  1
  Ni  Ni128  1  0.416883  0.847840  0.434723  1
  Ni  Ni129  1  0.210628  0.993754  0.429109  1
  Ni  Ni130  1  0.373323  0.492699  0.487790  1
  Ni  Ni131  1  0.923237  0.344500  0.378006  1
  Ni  Ni132  1  0.078460  0.848603  0.437581  1
  Ni  Ni133  1  0.549226  0.992775  0.426045  1
  Ni  Ni134  1  0.702207  0.497258  0.486750  1
  Ni  Ni135  1  0.084057  0.937881  0.475264  1
  Ni  Ni136  1  0.051236  0.438230  0.412054  1
  Ni  Ni137  1  0.576135  0.403870  0.452546  1
  Ni  Ni138  1  0.543936  0.903961  0.387901  1
  Ni  Ni139  1  0.817703  0.190518  0.382749  1
  Ni  Ni140  1  0.967335  0.692668  0.442127  1
  Ni  Ni141  1  0.660747  0.149969  0.421881  1
  Ni  Ni142  1  0.809160  0.650101  0.481630  1
  Ni  Ni143  1  0.471814  0.190623  0.382113  1
  Ni  Ni144  1  0.619518  0.694484  0.441790  1
  Ni  Ni145  1  0.008764  0.147626  0.422322  1
  Ni  Ni146  1  0.154336  0.650033  0.482244  1
  Ni  Ni147  1  0.452075  0.300149  0.415989  1
  Ni  Ni148  1  0.599212  0.800667  0.476173  1
  Ni  Ni149  1  0.996949  0.159054  0.590599  1
  Ni  Ni150  1  0.974149  0.668883  0.524305  1
  Ni  Ni151  1  0.750302  0.080592  0.593437  1
  Ni  Ni152  1  0.730099  0.588318  0.527353  1
  Ni  Ni153  1  0.241077  0.239652  0.587325  1
  Ni  Ni154  1  0.220613  0.747972  0.521937  1
  Ni  Ni155  1  0.905593  0.926958  0.594544  1
  Ni  Ni156  1  0.880787  0.430436  0.532602  1
  Ni  Ni157  1  0.092007  0.397401  0.581730  1
  Ni  Ni158  1  0.066343  0.902206  0.520682  1
  Ni  Ni159  1  0.523244  0.039710  0.513871  1
  Ni  Ni160  1  0.672282  0.547199  0.573752  1
  Ni  Ni161  1  0.299626  0.281388  0.540726  1
  Ni  Ni162  1  0.449748  0.789703  0.601223  1
  Ni  Ni163  1  0.200670  0.034590  0.513327  1
  Ni  Ni164  1  0.347806  0.535109  0.573511  1
  Ni  Ni165  1  0.297552  0.082004  0.593885  1
  Ni  Ni166  1  0.269853  0.587323  0.527718  1
  Ni  Ni167  1  0.701279  0.240709  0.586906  1
  Ni  Ni168  1  0.673569  0.746185  0.521431  1
  Ni  Ni169  1  0.426558  0.342559  0.501710  1
  Ni  Ni170  1  0.589254  0.841504  0.560390  1
  Ni  Ni171  1  0.382998  0.987418  0.554777  1
  Ni  Ni172  1  0.546321  0.486030  0.612445  1
  Ni  Ni173  1  0.097674  0.337999  0.502749  1
  Ni  Ni174  1  0.250656  0.842483  0.563455  1
  Ni  Ni175  1  0.721421  0.986655  0.551918  1
  Ni  Ni176  1  0.876645  0.490758  0.611493  1
  Ni  Ni177  1  0.255945  0.931297  0.601599  1
  Ni  Ni178  1  0.223746  0.431387  0.536953  1
  Ni  Ni179  1  0.748645  0.397028  0.577446  1
  Ni  Ni180  1  0.715825  0.897376  0.514236  1
  Ni  Ni181  1  0.990721  0.185157  0.507870  1
  Ni  Ni182  1  0.139134  0.685288  0.567619  1
  Ni  Ni183  1  0.832547  0.142589  0.547373  1
  Ni  Ni184  1  0.982179  0.644740  0.606751  1
  Ni  Ni185  1  0.645546  0.185224  0.507256  1
  Ni  Ni186  1  0.791117  0.687632  0.567178  1
  Ni  Ni187  1  0.180363  0.140774  0.547710  1
  Ni  Ni188  1  0.328068  0.644634  0.607387  1
  Ni  Ni189  1  0.624532  0.293580  0.540884  1
  Ni  Ni190  1  0.771393  0.794736  0.601679  1
  Ni  Ni191  1  0.155460  0.151259  0.717515  1
  Ni  Ni192  1  0.149199  0.661920  0.649473  1
  Ni  Ni193  1  0.891516  0.068078  0.718319  1
  Ni  Ni194  1  0.906438  0.581192  0.651958  1
  Ni  Ni195  1  0.397204  0.232906  0.712827  1
  Ni  Ni196  1  0.392681  0.742988  0.647110  1
  Ni  Ni197  1  0.058526  0.914956  0.722274  1
  Ni  Ni198  1  0.061244  0.423652  0.656932  1
  Ni  Ni199  1  0.251628  0.383994  0.700455  1
  Ni  Ni200  1  0.236864  0.896547  0.647225  1
  Ni  Ni201  1  0.692667  0.032989  0.640311  1
  Ni  Ni202  1  0.848355  0.539712  0.697580  1
  Ni  Ni203  1  0.457547  0.276050  0.666738  1
  Ni  Ni204  1  0.607797  0.776016  0.726735  1
  Ni  Ni205  1  0.370042  0.027760  0.639924  1
  Ni  Ni206  1  0.532989  0.524579  0.698167  1
  Ni  Ni207  1  0.478484  0.071455  0.720098  1
  Ni  Ni208  1  0.446832  0.581781  0.652782  1
  Ni  Ni209  1  0.862405  0.234450  0.711466  1
  Ni  Ni210  1  0.846921  0.739757  0.646555  1
  Ni  Ni211  1  0.596186  0.334898  0.626579  1
  Ni  Ni212  1  0.758747  0.831299  0.686493  1
  Ni  Ni213  1  0.548278  0.980041  0.682008  1
  Ni  Ni214  1  0.748184  0.466830  0.735611  1
  Ni  Ni215  1  0.267638  0.331021  0.627486  1
  Ni  Ni216  1  0.421755  0.837904  0.689764  1
  Ni  Ni217  1  0.880665  0.975667  0.679325  1
  Ni  Ni218  1  0.058157  0.487751  0.732378  1
  Ni  Ni219  1  0.393546  0.923840  0.729194  1
  Ni  Ni220  1  0.402833  0.426266  0.660432  1
  Ni  Ni221  1  0.914296  0.390343  0.698842  1
  Ni  Ni222  1  0.887393  0.891521  0.639780  1
  Ni  Ni223  1  0.160400  0.177240  0.633038  1
  Ni  Ni224  1  0.314546  0.679242  0.692112  1
  Ni  Ni225  1  0.994385  0.130221  0.673942  1
  Ni  Ni226  1  0.158158  0.633434  0.730648  1
  Ni  Ni227  1  0.817041  0.178099  0.632869  1
  Ni  Ni228  1  0.969308  0.677241  0.691998  1
  Ni  Ni229  1  0.343381  0.130773  0.674641  1
  Ni  Ni230  1  0.494517  0.629876  0.731364  1
  Ni  Ni231  1  0.781772  0.285461  0.666027  1
  Ni  Ni232  1  0.936484  0.777576  0.726772  1
