# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.71038678
_cell_length_b   16.26646588
_cell_length_c   50.95623598
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.85254849
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6296.71100908
_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  0.405095  0.067960  0.335402  1
  Zr  Zr2  1  0.396559  0.579305  0.270188  1
  Zr  Zr3  1  0.329383  0.334439  0.348656  1
  Zr  Zr4  1  0.487086  0.833970  0.285901  1
  Zr  Zr5  1  0.794530  0.246218  0.318217  1
  Zr  Zr6  1  0.955495  0.747179  0.253539  1
  Zr  Zr7  1  0.936896  0.155287  0.367128  1
  Zr  Zr8  1  0.924820  0.665814  0.302365  1
  Zr  Zr9  1  0.037127  0.975730  0.283564  1
  Zr  Zr10  1  0.870219  0.474683  0.343755  1
  Zr  Zr11  1  0.854270  0.440658  0.275925  1
  Zr  Zr12  1  0.860629  0.927498  0.339403  1
  Zr  Zr13  1  0.589930  0.109269  0.278294  1
  Zr  Zr14  1  0.412393  0.607035  0.336862  1
  Zr  Zr15  1  0.301544  0.302405  0.282920  1
  Zr  Zr16  1  0.316663  0.797488  0.344655  1
  Zr  Zr17  1  0.245684  0.056709  0.458632  1
  Zr  Zr18  1  0.241435  0.570805  0.395041  1
  Zr  Zr19  1  0.169400  0.322385  0.472556  1
  Zr  Zr20  1  0.330221  0.819707  0.413073  1
  Zr  Zr21  1  0.635705  0.237551  0.440435  1
  Zr  Zr22  1  0.802050  0.734932  0.379478  1
  Zr  Zr23  1  0.781435  0.147254  0.487601  1
  Zr  Zr24  1  0.768643  0.655527  0.428582  1
  Zr  Zr25  1  0.874515  0.962752  0.407647  1
  Zr  Zr26  1  0.712708  0.463093  0.469415  1
  Zr  Zr27  1  0.697615  0.428299  0.400259  1
  Zr  Zr28  1  0.703049  0.916084  0.463735  1
  Zr  Zr29  1  0.423333  0.096783  0.400938  1
  Zr  Zr30  1  0.254348  0.593492  0.464202  1
  Zr  Zr31  1  0.150109  0.295961  0.406413  1
  Zr  Zr32  1  0.160158  0.783488  0.471081  1
  Zr  Zr33  1  0.896364  0.044587  0.581767  1
  Zr  Zr34  1  0.082534  0.558707  0.522708  1
  Zr  Zr35  1  0.988724  0.295683  0.597868  1
  Zr  Zr36  1  0.173703  0.810114  0.538951  1
  Zr  Zr37  1  0.466332  0.214379  0.564778  1
  Zr  Zr38  1  0.647382  0.722071  0.506724  1
  Zr  Zr39  1  0.422923  0.131666  0.614191  1
  Zr  Zr40  1  0.605104  0.640412  0.556109  1
  Zr  Zr41  1  0.718357  0.950571  0.531874  1
  Zr  Zr42  1  0.537352  0.438105  0.594535  1
  Zr  Zr43  1  0.533949  0.415621  0.525747  1
  Zr  Zr44  1  0.351551  0.904282  0.588926  1
  Zr  Zr45  1  0.271783  0.087593  0.524199  1
  Zr  Zr46  1  0.088026  0.574087  0.589338  1
  Zr  Zr47  1  0.983477  0.280141  0.530949  1
  Zr  Zr48  1  0.799307  0.767838  0.596679  1
  Zr  Zr49  1  0.745959  0.032086  0.709400  1
  Zr  Zr50  1  0.901823  0.531503  0.646959  1
  Zr  Zr51  1  0.833712  0.284685  0.724394  1
  Zr  Zr52  1  0.819916  0.799360  0.662503  1
  Zr  Zr53  1  0.307752  0.201524  0.691800  1
  Zr  Zr54  1  0.289027  0.708304  0.632192  1
  Zr  Zr55  1  0.276854  0.123302  0.741120  1
  Zr  Zr56  1  0.435688  0.617627  0.678632  1
  Zr  Zr57  1  0.367365  0.939736  0.656657  1
  Zr  Zr58  1  0.375327  0.422093  0.718929  1
  Zr  Zr59  1  0.360207  0.390179  0.650915  1
  Zr  Zr60  1  0.195588  0.891044  0.711961  1
  Zr  Zr61  1  0.911520  0.071137  0.649897  1
  Zr  Zr62  1  0.927281  0.560811  0.713198  1
  Zr  Zr63  1  0.818547  0.258922  0.656952  1
  Zr  Zr64  1  0.636397  0.751437  0.718505  1
  Ni  Ni65  1  0.529778  0.959413  0.249640  1
  Ni  Ni66  1  0.358244  0.455675  0.308279  1
  Ni  Ni67  1  0.116899  0.023643  0.371604  1
  Ni  Ni68  1  0.110292  0.535540  0.306130  1
  Ni  Ni69  1  0.613583  0.377684  0.311692  1
  Ni  Ni70  1  0.796292  0.883034  0.251533  1
  Ni  Ni71  1  0.273899  0.179747  0.363157  1
  Ni  Ni72  1  0.262828  0.690928  0.299924  1
  Ni  Ni73  1  0.459513  0.221881  0.319156  1
  Ni  Ni74  1  0.618950  0.728786  0.253175  1
  Ni  Ni75  1  0.071892  0.074004  0.326481  1
  Ni  Ni76  1  0.067123  0.591110  0.261591  1
  Ni  Ni77  1  0.659342  0.328786  0.357986  1
  Ni  Ni78  1  0.821231  0.827672  0.295508  1
  Ni  Ni79  1  0.749419  0.076755  0.324606  1
  Ni  Ni80  1  0.733991  0.590314  0.259882  1
  Ni  Ni81  1  0.672331  0.023996  0.370365  1
  Ni  Ni82  1  0.662390  0.532752  0.304568  1
  Ni  Ni83  1  0.056294  0.377895  0.312100  1
  Ni  Ni84  1  0.213583  0.883022  0.252002  1
  Ni  Ni85  1  0.957196  0.284580  0.273266  1
  Ni  Ni86  1  0.978714  0.778138  0.337368  1
  Ni  Ni87  1  0.942355  0.132811  0.287187  1
  Ni  Ni88  1  0.749846  0.624259  0.344677  1
  Ni  Ni89  1  0.624452  0.282333  0.274296  1
  Ni  Ni90  1  0.642167  0.770605  0.335939  1
  Ni  Ni91  1  0.263047  0.126092  0.289126  1
  Ni  Ni92  1  0.087034  0.631910  0.345316  1
  Ni  Ni93  1  0.612556  0.181493  0.363994  1
  Ni  Ni94  1  0.608864  0.687601  0.297591  1
  Ni  Ni95  1  0.120051  0.222173  0.321007  1
  Ni  Ni96  1  0.280448  0.728441  0.254649  1
  Ni  Ni97  1  0.523770  0.436090  0.266681  1
  Ni  Ni98  1  0.535972  0.931736  0.330695  1
  Ni  Ni99  1  0.364160  0.972817  0.291695  1
  Ni  Ni100  1  0.196450  0.470886  0.351708  1
  Ni  Ni101  1  0.178055  0.437158  0.267271  1
  Ni  Ni102  1  0.186057  0.927048  0.331342  1
  Ni  Ni103  1  0.709025  0.974389  0.290128  1
  Ni  Ni104  1  0.543544  0.476222  0.350519  1
  Ni  Ni105  1  0.986866  0.326000  0.358649  1
  Ni  Ni106  1  0.144659  0.827242  0.295533  1
  Ni  Ni107  1  0.369173  0.943526  0.373822  1
  Ni  Ni108  1  0.203088  0.447747  0.434251  1
  Ni  Ni109  1  0.958084  0.013270  0.494561  1
  Ni  Ni110  1  0.950437  0.525500  0.432422  1
  Ni  Ni111  1  0.456300  0.367438  0.436506  1
  Ni  Ni112  1  0.621596  0.865097  0.375704  1
  Ni  Ni113  1  0.117015  0.168517  0.486947  1
  Ni  Ni114  1  0.105679  0.678120  0.428313  1
  Ni  Ni115  1  0.300034  0.211238  0.443352  1
  Ni  Ni116  1  0.465765  0.711825  0.379993  1
  Ni  Ni117  1  0.915942  0.062573  0.449110  1
  Ni  Ni118  1  0.909215  0.576731  0.386202  1
  Ni  Ni119  1  0.501580  0.317442  0.481926  1
  Ni  Ni120  1  0.661938  0.813547  0.421849  1
  Ni  Ni121  1  0.586727  0.064808  0.448496  1
  Ni  Ni122  1  0.581173  0.576259  0.385643  1
  Ni  Ni123  1  0.517883  0.011829  0.494064  1
  Ni  Ni124  1  0.507398  0.522420  0.431290  1
  Ni  Ni125  1  0.901838  0.367818  0.437530  1
  Ni  Ni126  1  0.065511  0.868351  0.377077  1
  Ni  Ni127  1  0.804318  0.273074  0.396816  1
  Ni  Ni128  1  0.820957  0.764950  0.463594  1
  Ni  Ni129  1  0.769282  0.119424  0.410889  1
  Ni  Ni130  1  0.593052  0.612473  0.471387  1
  Ni  Ni131  1  0.469468  0.272898  0.396526  1
  Ni  Ni132  1  0.486970  0.758283  0.463227  1
  Ni  Ni133  1  0.103290  0.119069  0.410784  1
  Ni  Ni134  1  0.928029  0.619349  0.472052  1
  Ni  Ni135  1  0.455739  0.170131  0.486473  1
  Ni  Ni136  1  0.449729  0.674926  0.425873  1
  Ni  Ni137  1  0.961694  0.210943  0.442894  1
  Ni  Ni138  1  0.120654  0.715316  0.382631  1
  Ni  Ni139  1  0.370232  0.430789  0.391364  1
  Ni  Ni140  1  0.376671  0.918698  0.455704  1
  Ni  Ni141  1  0.202496  0.960664  0.416486  1
  Ni  Ni142  1  0.037587  0.458965  0.477925  1
  Ni  Ni143  1  0.024887  0.430294  0.392784  1
  Ni  Ni144  1  0.029745  0.914364  0.456982  1
  Ni  Ni145  1  0.547338  0.961064  0.414694  1
  Ni  Ni146  1  0.385425  0.463596  0.476553  1
  Ni  Ni147  1  0.826217  0.315701  0.483277  1
  Ni  Ni148  1  0.990023  0.813742  0.422402  1
  Ni  Ni149  1  0.215042  0.933408  0.498467  1
  Ni  Ni150  1  0.035954  0.427033  0.560198  1
  Ni  Ni151  1  0.610151  1.000772  0.619703  1
  Ni  Ni152  1  0.782120  0.507147  0.558708  1
  Ni  Ni153  1  0.289028  0.346930  0.561676  1
  Ni  Ni154  1  0.461289  0.854513  0.501294  1
  Ni  Ni155  1  0.761071  0.155085  0.613369  1
  Ni  Ni156  1  0.938150  0.664978  0.555108  1
  Ni  Ni157  1  0.132727  0.189364  0.565343  1
  Ni  Ni158  1  0.309765  0.699571  0.507508  1
  Ni  Ni159  1  0.563622  0.049787  0.574541  1
  Ni  Ni160  1  0.751441  0.563242  0.512739  1
  Ni  Ni161  1  0.319574  0.290864  0.607804  1
  Ni  Ni162  1  0.507239  0.805092  0.546142  1
  Ni  Ni163  1  0.233353  0.048188  0.572867  1
  Ni  Ni164  1  0.421917  0.562712  0.512407  1
  Ni  Ni165  1  0.159552  0.997672  0.618679  1
  Ni  Ni166  1  0.340024  0.506533  0.557982  1
  Ni  Ni167  1  0.731904  0.347669  0.562353  1
  Ni  Ni168  1  0.908623  0.857236  0.502291  1
  Ni  Ni169  1  0.638680  0.258905  0.520879  1
  Ni  Ni170  1  0.454413  0.749017  0.588854  1
  Ni  Ni171  1  0.617422  0.106269  0.531665  1
  Ni  Ni172  1  0.432095  0.595713  0.599473  1
  Ni  Ni173  1  0.309875  0.261268  0.519961  1
  Ni  Ni174  1  0.123501  0.746251  0.588514  1
  Ni  Ni175  1  0.945692  0.108574  0.531990  1
  Ni  Ni176  1  0.762784  0.593969  0.600225  1
  Ni  Ni177  1  0.106051  0.151124  0.610857  1
  Ni  Ni178  1  0.288282  0.666416  0.554582  1
  Ni  Ni179  1  0.783083  0.188158  0.566138  1
  Ni  Ni180  1  0.964129  0.703506  0.509621  1
  Ni  Ni181  1  0.206299  0.416776  0.517135  1
  Ni  Ni182  1  0.019949  0.898958  0.581257  1
  Ni  Ni183  1  0.049881  0.956429  0.539405  1
  Ni  Ni184  1  0.865006  0.437751  0.603060  1
  Ni  Ni185  1  0.861809  0.416334  0.518589  1
  Ni  Ni186  1  0.675895  0.899157  0.580848  1
  Ni  Ni187  1  0.394145  0.955843  0.540076  1
  Ni  Ni188  1  0.209911  0.437927  0.601787  1
  Ni  Ni189  1  0.650633  0.291331  0.608056  1
  Ni  Ni190  1  0.836895  0.806483  0.547998  1
  Ni  Ni191  1  0.854419  0.921702  0.622714  1
  Ni  Ni192  1  0.873215  0.409633  0.686335  1
  Ni  Ni193  1  0.419548  0.988807  0.743583  1
  Ni  Ni194  1  0.616949  0.486687  0.683605  1
  Ni  Ni195  1  0.117711  0.328963  0.688242  1
  Ni  Ni196  1  0.110609  0.842652  0.625995  1
  Ni  Ni197  1  0.611966  0.137715  0.741149  1
  Ni  Ni198  1  0.770811  0.643148  0.677898  1
  Ni  Ni199  1  0.968102  0.174478  0.694746  1
  Ni  Ni200  1  0.952054  0.687584  0.634144  1
  Ni  Ni201  1  0.411938  0.039416  0.699452  1
  Ni  Ni202  1  0.570206  0.535920  0.637872  1
  Ni  Ni203  1  0.163092  0.274851  0.732957  1
  Ni  Ni204  1  0.151534  0.791965  0.670710  1
  Ni  Ni205  1  0.088022  0.040485  0.699566  1
  Ni  Ni206  1  0.245528  0.538385  0.637074  1
  Ni  Ni207  1  0.033858  0.987987  0.742836  1
  Ni  Ni208  1  0.173567  0.486723  0.683192  1
  Ni  Ni209  1  0.570810  0.332052  0.689700  1
  Ni  Ni210  1  0.552364  0.843177  0.626954  1
  Ni  Ni211  1  0.480781  0.242200  0.648761  1
  Ni  Ni212  1  0.285029  0.730859  0.709291  1
  Ni  Ni213  1  0.251036  0.089332  0.657504  1
  Ni  Ni214  1  0.270463  0.578107  0.722869  1
  Ni  Ni215  1  0.143654  0.234123  0.648585  1
  Ni  Ni216  1  0.966077  0.739018  0.708320  1
  Ni  Ni217  1  0.585845  0.096480  0.658146  1
  Ni  Ni218  1  0.604114  0.578641  0.722107  1
  Ni  Ni219  1  0.950994  0.138676  0.740301  1
  Ni  Ni220  1  0.107017  0.642229  0.676079  1
  Ni  Ni221  1  0.624050  0.177243  0.696615  1
  Ni  Ni222  1  0.615909  0.684064  0.633746  1
  Ni  Ni223  1  0.034725  0.394598  0.642419  1
  Ni  Ni224  1  0.867666  0.892520  0.705479  1
  Ni  Ni225  1  0.692017  0.937515  0.665886  1
  Ni  Ni226  1  0.706415  0.427025  0.728374  1
  Ni  Ni227  1  0.688202  0.389783  0.643925  1
  Ni  Ni228  1  0.526097  0.892343  0.707789  1
  Ni  Ni229  1  0.039474  0.940360  0.664776  1
  Ni  Ni230  1  0.051578  0.425818  0.727826  1
  Ni  Ni231  1  0.497772  0.275942  0.734712  1
  Ni  Ni232  1  0.477049  0.791749  0.672822  1
