# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.95020056
_cell_length_b   17.42988980
_cell_length_c   48.62871219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.89069471
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   9279.57488632
_cell_formula_units_Z   10
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  1.006263  0.509650  0.354122  1
  Zr  Zr2  1  0.274826  0.959902  0.319006  1
  Zr  Zr3  1  0.229470  0.738825  0.340095  1
  Zr  Zr4  1  0.481525  0.188601  0.308515  1
  Zr  Zr5  1  0.581676  0.780581  0.311641  1
  Zr  Zr6  1  0.279543  0.338934  0.362583  1
  Zr  Zr7  1  0.232112  0.359855  0.299718  1
  Zr  Zr8  1  0.922072  0.909307  0.337277  1
  Zr  Zr9  1  0.532727  0.573449  0.325407  1
  Zr  Zr10  1  0.229383  0.133963  0.371751  1
  Zr  Zr11  1  0.264904  0.557422  0.291301  1
  Zr  Zr12  1  0.969886  0.121893  0.333018  1
  Zr  Zr13  1  0.848910  0.408432  0.307148  1
  Zr  Zr14  1  0.537452  0.974635  0.353655  1
  Zr  Zr15  1  0.957915  0.721742  0.306004  1
  Zr  Zr16  1  0.659809  0.281439  0.354386  1
  Zr  Zr17  1  0.440141  0.619807  0.437113  1
  Zr  Zr18  1  0.704891  0.065818  0.401058  1
  Zr  Zr19  1  0.663573  0.849429  0.423172  1
  Zr  Zr20  1  0.927540  0.297291  0.388910  1
  Zr  Zr21  1  0.022287  0.895576  0.394968  1
  Zr  Zr22  1  0.716229  0.451404  0.444937  1
  Zr  Zr23  1  0.652075  0.467249  0.381548  1
  Zr  Zr24  1  0.334643  0.022978  0.428540  1
  Zr  Zr25  1  0.965852  0.686051  0.407119  1
  Zr  Zr26  1  0.662630  0.244202  0.454882  1
  Zr  Zr27  1  0.703908  0.671205  0.370079  1
  Zr  Zr28  1  0.401712  0.230735  0.418682  1
  Zr  Zr29  1  0.275372  0.523715  0.389260  1
  Zr  Zr30  1  0.964346  0.087623  0.435926  1
  Zr  Zr31  1  0.397394  0.829860  0.389036  1
  Zr  Zr32  1  0.092724  0.393069  0.437432  1
  Zr  Zr33  1  0.876032  0.729785  0.520141  1
  Zr  Zr34  1  0.138610  0.178536  0.485115  1
  Zr  Zr35  1  0.100903  0.959380  0.506884  1
  Zr  Zr36  1  0.363482  0.408130  0.471857  1
  Zr  Zr37  1  0.465110  0.004004  0.479692  1
  Zr  Zr38  1  0.152430  0.561798  0.527644  1
  Zr  Zr39  1  0.087083  0.576118  0.464354  1
  Zr  Zr40  1  0.774403  0.133912  0.512307  1
  Zr  Zr41  1  0.402654  0.795956  0.490388  1
  Zr  Zr42  1  0.098874  0.354493  0.538712  1
  Zr  Zr43  1  0.140640  0.783423  0.453287  1
  Zr  Zr44  1  0.836860  0.341960  0.501610  1
  Zr  Zr45  1  0.710881  0.634315  0.471931  1
  Zr  Zr46  1  0.401083  0.198479  0.519749  1
  Zr  Zr47  1  0.838431  0.939437  0.472250  1
  Zr  Zr48  1  0.528633  0.503601  0.520067  1
  Zr  Zr49  1  0.311974  0.840624  0.603088  1
  Zr  Zr50  1  0.575941  0.288487  0.568826  1
  Zr  Zr51  1  0.534623  0.072098  0.590941  1
  Zr  Zr52  1  0.799373  0.518109  0.554885  1
  Zr  Zr53  1  0.904871  0.114938  0.563458  1
  Zr  Zr54  1  0.587439  0.670666  0.610451  1
  Zr  Zr55  1  0.523285  0.686512  0.547061  1
  Zr  Zr56  1  0.217226  0.242340  0.597031  1
  Zr  Zr57  1  0.837802  0.907180  0.573316  1
  Zr  Zr58  1  0.535605  0.466710  0.621919  1
  Zr  Zr59  1  0.576884  0.893714  0.537116  1
  Zr  Zr60  1  0.273661  0.451865  0.584880  1
  Zr  Zr61  1  0.146790  0.744847  0.554566  1
  Zr  Zr62  1  0.842120  0.308056  0.602962  1
  Zr  Zr63  1  0.275168  0.050293  0.556072  1
  Zr  Zr64  1  0.964142  0.614201  0.602738  1
  Zr  Zr65  1  0.757989  0.949315  0.683483  1
  Zr  Zr66  1  1.010044  0.399091  0.651903  1
  Zr  Zr67  1  0.964687  0.178014  0.672992  1
  Zr  Zr68  1  0.233251  0.628265  0.637876  1
  Zr  Zr69  1  0.317442  0.228609  0.654722  1
  Zr  Zr70  1  1.007402  0.778061  0.692280  1
  Zr  Zr71  1  0.959971  0.798982  0.629415  1
  Zr  Zr72  1  0.657838  0.357335  0.680357  1
  Zr  Zr73  1  0.269628  0.016023  0.658980  1
  Zr  Zr74  1  0.974610  0.580494  0.700697  1
  Zr  Zr75  1  1.010131  0.003952  0.620247  1
  Zr  Zr76  1  0.706787  0.564467  0.666591  1
  Zr  Zr77  1  0.579705  0.856477  0.637612  1
  Zr  Zr78  1  0.281599  0.416174  0.685994  1
  Zr  Zr79  1  0.702061  0.163281  0.638343  1
  Zr  Zr80  1  0.390604  0.729484  0.684850  1
  Ni  Ni81  1  0.909613  0.568006  0.302698  1
  Ni  Ni82  1  0.601215  0.127192  0.352619  1
  Ni  Ni83  1  0.766950  0.535507  0.340085  1
  Ni  Ni84  1  0.047661  -0.005980  0.304156  1
  Ni  Ni85  1  0.479393  0.710488  0.351777  1
  Ni  Ni86  1  0.737090  0.165986  0.315908  1
  Ni  Ni87  1  0.832496  0.400525  0.358524  1
  Ni  Ni88  1  0.111761  0.845926  0.310150  1
  Ni  Ni89  1  0.410115  0.847439  0.338450  1
  Ni  Ni90  1  0.661805  0.303186  0.302536  1
  Ni  Ni91  1  0.424010  0.451312  0.305159  1
  Ni  Ni92  1  0.106727  0.009117  0.353174  1
  Ni  Ni93  1  0.391961  0.684367  0.304680  1
  Ni  Ni94  1  0.083627  0.241813  0.353044  1
  Ni  Ni95  1  0.228902  0.472585  0.335710  1
  Ni  Ni96  1  0.491814  0.923057  0.299184  1
  Ni  Ni97  1  0.069054  0.470248  0.299329  1
  Ni  Ni98  1  0.769530  0.036925  0.341730  1
  Ni  Ni99  1  0.732164  0.657208  0.313613  1
  Ni  Ni100  1  0.433034  0.218384  0.362637  1
  Ni  Ni101  1  0.794772  0.779934  0.337115  1
  Ni  Ni102  1  0.052488  0.258847  0.303978  1
  Ni  Ni103  1  0.436474  0.459769  0.355857  1
  Ni  Ni104  1  0.691352  0.909050  0.324109  1
  Ni  Ni105  1  0.180687  0.710178  0.287381  1
  Ni  Ni106  1  0.872885  0.272018  0.332756  1
  Ni  Ni107  1  0.627998  0.423900  0.329239  1
  Ni  Ni108  1  0.309172  0.980782  0.376033  1
  Ni  Ni109  1  0.048974  0.369279  0.337354  1
  Ni  Ni110  1  0.332077  0.818611  0.293896  1
  Ni  Ni111  1  0.184619  0.874733  0.358488  1
  Ni  Ni112  1  0.453004  0.328576  0.328405  1
  Ni  Ni113  1  0.110947  0.609113  0.322669  1
  Ni  Ni114  1  0.812308  0.167099  0.368453  1
  Ni  Ni115  1  0.693581  0.518188  0.291579  1
  Ni  Ni116  1  0.389673  0.083739  0.337974  1
  Ni  Ni117  1  0.916203  0.648979  0.348823  1
  Ni  Ni118  1  0.189871  0.105386  0.314736  1
  Ni  Ni119  1  0.319382  0.598005  0.344153  1
  Ni  Ni120  1  0.586588  0.049521  0.308928  1
  Ni  Ni121  1  1.009971  0.772992  0.357349  1
  Ni  Ni122  1  0.266884  0.228470  0.325549  1
  Ni  Ni123  1  0.334864  0.678194  0.388134  1
  Ni  Ni124  1  0.030371  0.238641  0.437447  1
  Ni  Ni125  1  0.193600  0.647601  0.424713  1
  Ni  Ni126  1  0.455735  0.094860  0.389560  1
  Ni  Ni127  1  0.915494  0.821212  0.434947  1
  Ni  Ni128  1  0.171698  0.269933  0.401138  1
  Ni  Ni129  1  0.268271  0.510940  0.441585  1
  Ni  Ni130  1  0.517468  0.961598  0.405041  1
  Ni  Ni131  1  0.845052  0.956352  0.421312  1
  Ni  Ni132  1  0.100338  0.407921  0.386066  1
  Ni  Ni133  1  0.844600  0.562314  0.389347  1
  Ni  Ni134  1  0.540781  0.113798  0.437652  1
  Ni  Ni135  1  0.828284  0.800553  0.386851  1
  Ni  Ni136  1  0.524435  0.355414  0.436183  1
  Ni  Ni137  1  0.658636  0.585769  0.418795  1
  Ni  Ni138  1  0.921844  0.034087  0.379708  1
  Ni  Ni139  1  0.500115  0.586364  0.380514  1
  Ni  Ni140  1  0.196462  0.148264  0.427651  1
  Ni  Ni141  1  0.165621  0.770673  0.396691  1
  Ni  Ni142  1  0.865585  0.330765  0.445604  1
  Ni  Ni143  1  0.235936  0.893497  0.418232  1
  Ni  Ni144  1  0.494351  0.347946  0.385625  1
  Ni  Ni145  1  0.873465  0.570421  0.439798  1
  Ni  Ni146  1  0.124355  0.023633  0.406037  1
  Ni  Ni147  1  0.617315  0.823166  0.365170  1
  Ni  Ni148  1  0.311781  0.381408  0.415743  1
  Ni  Ni149  1  0.055929  0.535961  0.410976  1
  Ni  Ni150  1  0.746189  0.092971  0.459692  1
  Ni  Ni151  1  0.479931  0.479069  0.417787  1
  Ni  Ni152  1  0.756401  0.928968  0.376103  1
  Ni  Ni153  1  0.632241  0.983482  0.446311  1
  Ni  Ni154  1  0.887746  0.438528  0.408594  1
  Ni  Ni155  1  0.547411  0.719991  0.404582  1
  Ni  Ni156  1  0.243720  0.280299  0.453373  1
  Ni  Ni157  1  0.122224  0.637557  0.372769  1
  Ni  Ni158  1  0.818534  0.197364  0.420280  1
  Ni  Ni159  1  0.350859  0.758664  0.432940  1
  Ni  Ni160  1  0.614480  0.205969  0.397997  1
  Ni  Ni161  1  0.755377  0.709345  0.426953  1
  Ni  Ni162  1  1.014111  0.156942  0.391764  1
  Ni  Ni163  1  0.444468  0.880584  0.443559  1
  Ni  Ni164  1  0.708319  0.331800  0.407382  1
  Ni  Ni165  1  0.772170  0.788727  0.471006  1
  Ni  Ni166  1  0.467344  0.349189  0.520992  1
  Ni  Ni167  1  0.631030  0.757028  0.507827  1
  Ni  Ni168  1  0.887118  0.206848  0.473227  1
  Ni  Ni169  1  0.352395  0.931068  0.518771  1
  Ni  Ni170  1  0.608483  0.380887  0.484171  1
  Ni  Ni171  1  0.704940  0.620690  0.524460  1
  Ni  Ni172  1  0.955790  0.072466  0.487733  1
  Ni  Ni173  1  0.283724  0.065450  0.504265  1
  Ni  Ni174  1  0.534574  0.517225  0.467539  1
  Ni  Ni175  1  0.279025  0.671850  0.472704  1
  Ni  Ni176  1  0.977992  0.225162  0.521266  1
  Ni  Ni177  1  0.261522  0.912754  0.470732  1
  Ni  Ni178  1  0.960489  0.466066  0.519294  1
  Ni  Ni179  1  0.094661  0.696017  0.501519  1
  Ni  Ni180  1  0.356591  0.146033  0.465244  1
  Ni  Ni181  1  0.937824  0.697108  0.463047  1
  Ni  Ni182  1  0.634064  0.259184  0.511024  1
  Ni  Ni183  1  0.605450  0.878732  0.480974  1
  Ni  Ni184  1  0.301690  0.440808  0.528951  1
  Ni  Ni185  1  0.676212  0.003726  0.502032  1
  Ni  Ni186  1  0.929541  0.457711  0.469029  1
  Ni  Ni187  1  0.309973  0.680205  0.522969  1
  Ni  Ni188  1  0.563302  0.134189  0.489966  1
  Ni  Ni189  1  0.056377  0.934729  0.448238  1
  Ni  Ni190  1  0.747402  0.492207  0.498377  1
  Ni  Ni191  1  0.492112  0.645709  0.493622  1
  Ni  Ni192  1  0.183136  0.203187  0.543761  1
  Ni  Ni193  1  0.915678  0.589578  0.500383  1
  Ni  Ni194  1  0.169661  0.044110  0.462666  1
  Ni  Ni195  1  0.069853  0.093806  0.529332  1
  Ni  Ni196  1  0.323835  0.548337  0.491615  1
  Ni  Ni197  1  0.984837  0.829549  0.487963  1
  Ni  Ni198  1  0.680040  0.391331  0.536543  1
  Ni  Ni199  1  0.559473  0.746585  0.455455  1
  Ni  Ni200  1  0.254677  0.308367  0.504035  1
  Ni  Ni201  1  0.788594  0.868948  0.516325  1
  Ni  Ni202  1  0.047344  0.318652  0.481605  1
  Ni  Ni203  1  0.192170  0.819264  0.510393  1
  Ni  Ni204  1  0.450920  0.268968  0.475673  1
  Ni  Ni205  1  0.882923  -0.008117  0.526755  1
  Ni  Ni206  1  0.144853  0.441899  0.490480  1
  Ni  Ni207  1  0.209143  0.899274  0.554551  1
  Ni  Ni208  1  0.904650  0.459722  0.603864  1
  Ni  Ni209  1  0.067816  0.867983  0.590860  1
  Ni  Ni210  1  0.324020  0.316704  0.557051  1
  Ni  Ni211  1  0.783779  0.043056  0.602438  1
  Ni  Ni212  1  0.045913  0.490315  0.567285  1
  Ni  Ni213  1  0.139175  0.729995  0.605933  1
  Ni  Ni214  1  0.394462  0.181564  0.570686  1
  Ni  Ni215  1  0.722046  0.176318  0.586957  1
  Ni  Ni216  1  0.971242  0.626976  0.550413  1
  Ni  Ni217  1  0.715079  0.782502  0.555815  1
  Ni  Ni218  1  0.411229  0.337363  0.605147  1
  Ni  Ni219  1  0.698733  0.024118  0.554347  1
  Ni  Ni220  1  0.394913  0.575601  0.602651  1
  Ni  Ni221  1  0.531194  0.806116  0.584616  1
  Ni  Ni222  1  0.795046  0.257332  0.548439  1
  Ni  Ni223  1  0.373929  0.807151  0.546394  1
  Ni  Ni224  1  0.073893  0.367243  0.595307  1
  Ni  Ni225  1  0.043052  0.989652  0.564348  1
  Ni  Ni226  1  0.739398  0.551552  0.611484  1
  Ni  Ni227  1  0.115159  0.114283  0.585961  1
  Ni  Ni228  1  0.366049  0.567495  0.552200  1
  Ni  Ni229  1  0.745163  0.789970  0.606373  1
  Ni  Ni230  1  1.003577  0.244419  0.573766  1
  Ni  Ni231  1  0.493325  0.044945  0.532307  1
  Ni  Ni232  1  0.183585  0.601954  0.581022  1
  Ni  Ni233  1  0.927732  0.756507  0.576255  1
  Ni  Ni234  1  0.622199  0.314750  0.626829  1
  Ni  Ni235  1  0.351768  0.699388  0.583404  1
  Ni  Ni236  1  0.607273  0.154434  0.545687  1
  Ni  Ni237  1  0.483113  0.208947  0.615895  1
  Ni  Ni238  1  0.759582  0.658847  0.574211  1
  Ni  Ni239  1  0.420980  0.940552  0.571718  1
  Ni  Ni240  1  0.117290  0.500359  0.619230  1
  Ni  Ni241  1  0.995794  0.857616  0.538625  1
  Ni  Ni242  1  0.692103  0.417925  0.587416  1
  Ni  Ni243  1  0.225402  0.980974  0.600235  1
  Ni  Ni244  1  0.484136  0.428571  0.565046  1
  Ni  Ni245  1  0.625034  0.931946  0.594001  1
  Ni  Ni246  1  0.888655  0.379252  0.559058  1
  Ni  Ni247  1  0.317670  0.103829  0.612290  1
  Ni  Ni248  1  0.580878  0.552147  0.573203  1
  Ni  Ni249  1  0.638299  0.010724  0.639380  1
  Ni  Ni250  1  0.329901  0.569909  0.689300  1
  Ni  Ni251  1  0.502424  0.971930  0.676091  1
  Ni  Ni252  1  0.760121  0.427428  0.640221  1
  Ni  Ni253  1  0.191853  0.143896  0.687842  1
  Ni  Ni254  1  0.472564  0.602408  0.651913  1
  Ni  Ni255  1  0.577708  0.834730  0.689462  1
  Ni  Ni256  1  0.829399  0.290477  0.653548  1
  Ni  Ni257  1  0.127752  0.291990  0.681849  1
  Ni  Ni258  1  0.407018  0.737391  0.633474  1
  Ni  Ni259  1  0.155887  0.896103  0.638954  1
  Ni  Ni260  1  0.847553  0.453549  0.687318  1
  Ni  Ni261  1  0.132787  0.128799  0.638824  1
  Ni  Ni262  1  0.815504  0.686604  0.686839  1
  Ni  Ni263  1  0.972630  0.909445  0.666449  1
  Ni  Ni264  1  0.229543  0.364923  0.634649  1
  Ni  Ni265  1  0.806480  0.919532  0.629361  1
  Ni  Ni266  1  0.507350  0.480708  0.678385  1
  Ni  Ni267  1  0.469983  0.100991  0.650268  1
  Ni  Ni268  1  0.170460  0.667668  0.692669  1
  Ni  Ni269  1  0.548162  0.228866  0.667889  1
  Ni  Ni270  1  0.803040  0.678147  0.636141  1
  Ni  Ni271  1  0.187026  0.879069  0.688020  1
  Ni  Ni272  1  0.444742  0.357982  0.654883  1
  Ni  Ni273  1  0.930342  0.157134  0.615965  1
  Ni  Ni274  1  0.611516  0.714016  0.662759  1
  Ni  Ni275  1  0.366629  0.865898  0.659242  1
  Ni  Ni276  1  0.058827  0.427738  0.704617  1
  Ni  Ni277  1  0.786510  0.809340  0.663593  1
  Ni  Ni278  1  0.054895  0.263183  0.633510  1
  Ni  Ni279  1  0.907437  0.319305  0.698102  1
  Ni  Ni280  1  0.190539  0.768637  0.654644  1
  Ni  Ni281  1  0.849841  0.054177  0.654025  1
  Ni  Ni282  1  0.545933  0.619727  0.700419  1
  Ni  Ni283  1  0.427206  0.970817  0.623545  1
  Ni  Ni284  1  0.128567  0.528803  0.669329  1
  Ni  Ni285  1  0.652926  0.088395  0.683070  1
  Ni  Ni286  1  0.920132  0.539911  0.647845  1
  Ni  Ni287  1  0.049642  0.032530  0.677262  1
  Ni  Ni288  1  0.323310  0.488936  0.643176  1
  Ni  Ni289  1  0.747699  0.214859  0.692814  1
  Ni  Ni290  1  1.010612  0.665331  0.656288  1
