# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   16.62640138
_cell_length_b   10.15391597
_cell_length_c   51.13159219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.84958220
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr80 Ni210'
_cell_volume   8529.43211147
_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  0.048910  0.428138  0.339020  1
  Zr  Zr2  1  0.417106  0.609686  0.298712  1
  Zr  Zr3  1  0.487211  0.923784  0.342231  1
  Zr  Zr4  1  0.855534  0.105544  0.299302  1
  Zr  Zr5  1  0.276977  0.943242  0.298536  1
  Zr  Zr6  1  0.906929  0.760427  0.345548  1
  Zr  Zr7  1  0.989647  0.786469  0.292805  1
  Zr  Zr8  1  0.628069  0.593428  0.336885  1
  Zr  Zr9  1  0.350850  0.264227  0.328406  1
  Zr  Zr10  1  0.718353  0.446477  0.285595  1
  Zr  Zr11  1  0.183632  0.092236  0.354657  1
  Zr  Zr12  1  0.553018  0.277651  0.309868  1
  Zr  Zr13  1  0.212090  0.601684  0.309238  1
  Zr  Zr14  1  0.848069  0.421290  0.358235  1
  Zr  Zr15  1  0.054905  0.111583  0.282275  1
  Zr  Zr16  1  0.688566  0.934033  0.326756  1
  Zr  Zr17  1  0.312809  0.061960  0.430586  1
  Zr  Zr18  1  0.681303  0.245031  0.385871  1
  Zr  Zr19  1  0.753085  0.559636  0.434154  1
  Zr  Zr20  1  0.121907  0.741940  0.388285  1
  Zr  Zr21  1  0.539141  0.576712  0.390376  1
  Zr  Zr22  1  0.172967  0.393869  0.435883  1
  Zr  Zr23  1  0.259819  0.410512  0.381987  1
  Zr  Zr24  1  0.895423  0.227594  0.428588  1
  Zr  Zr25  1  0.616486  0.896730  0.419055  1
  Zr  Zr26  1  0.984644  0.079255  0.373839  1
  Zr  Zr27  1  0.449038  0.724675  0.445471  1
  Zr  Zr28  1  0.816447  0.907555  0.400534  1
  Zr  Zr29  1  0.479541  0.237185  0.402897  1
  Zr  Zr30  1  0.112429  0.055751  0.448342  1
  Zr  Zr31  1  0.321385  0.748372  0.371338  1
  Zr  Zr32  1  0.954984  0.565125  0.416180  1
  Zr  Zr33  1  0.577975  0.695917  0.521806  1
  Zr  Zr34  1  0.945971  0.878403  0.476391  1
  Zr  Zr35  1  0.017902  0.194050  0.524895  1
  Zr  Zr36  1  0.385898  0.376535  0.479479  1
  Zr  Zr37  1  0.804490  0.209785  0.481614  1
  Zr  Zr38  1  0.437578  0.027577  0.527269  1
  Zr  Zr39  1  0.526294  0.044876  0.474017  1
  Zr  Zr40  1  0.159382  0.862667  0.519671  1
  Zr  Zr41  1  0.882161  0.530772  0.510333  1
  Zr  Zr42  1  0.249723  0.714037  0.464545  1
  Zr  Zr43  1  0.714150  0.358415  0.536741  1
  Zr  Zr44  1  0.081711  0.541680  0.490952  1
  Zr  Zr45  1  0.744664  0.872023  0.494006  1
  Zr  Zr46  1  0.377583  0.689497  0.539309  1
  Zr  Zr47  1  0.586289  0.382956  0.461977  1
  Zr  Zr48  1  0.219209  0.200430  0.507280  1
  Zr  Zr49  1  0.841965  0.330513  0.613000  1
  Zr  Zr50  1  0.210788  0.512816  0.567131  1
  Zr  Zr51  1  0.282569  0.827421  0.615415  1
  Zr  Zr52  1  0.651064  0.010493  0.570700  1
  Zr  Zr53  1  0.068449  0.844859  0.572697  1
  Zr  Zr54  1  0.704054  0.661940  0.619298  1
  Zr  Zr55  1  0.790906  0.678583  0.565403  1
  Zr  Zr56  1  0.424731  0.495740  0.610910  1
  Zr  Zr57  1  0.147426  0.164897  0.600751  1
  Zr  Zr58  1  0.514834  0.347777  0.555814  1
  Zr  Zr59  1  0.979229  0.993197  0.627447  1
  Zr  Zr60  1  0.347387  0.175723  0.582230  1
  Zr  Zr61  1  0.008889  0.507327  0.585106  1
  Zr  Zr62  1  0.642488  0.324080  0.629948  1
  Zr  Zr63  1  0.851444  0.016702  0.552943  1
  Zr  Zr64  1  0.484332  0.835267  0.598389  1
  Zr  Zr65  1  0.108339  0.966909  0.701984  1
  Zr  Zr66  1  0.476662  0.148669  0.659054  1
  Zr  Zr67  1  0.546767  0.462766  0.702574  1
  Zr  Zr68  1  0.914963  0.644315  0.662266  1
  Zr  Zr69  1  0.335804  0.479025  0.664401  1
  Zr  Zr70  1  0.974226  0.285983  0.708480  1
  Zr  Zr71  1  0.056944  0.312025  0.655738  1
  Zr  Zr72  1  0.686896  0.129210  0.702750  1
  Zr  Zr73  1  0.410855  0.794802  0.691417  1
  Zr  Zr74  1  0.780241  0.980216  0.646629  1
  Zr  Zr75  1  0.245520  0.625975  0.715691  1
  Zr  Zr76  1  0.613023  0.808225  0.672880  1
  Zr  Zr77  1  0.275307  0.138419  0.674529  1
  Zr  Zr78  1  0.908968  0.960870  0.719010  1
  Zr  Zr79  1  0.115803  0.651162  0.643050  1
  Zr  Zr80  1  0.751782  0.470768  0.692048  1
  Ni  Ni81  1  0.129540  0.359360  0.291940  1
  Ni  Ni82  1  0.767100  0.178525  0.340547  1
  Ni  Ni83  1  0.201088  0.353953  0.334208  1
  Ni  Ni84  1  0.568561  0.532429  0.289702  1
  Ni  Ni85  1  0.330676  0.002006  0.344239  1
  Ni  Ni86  1  0.699253  0.181986  0.298623  1
  Ni  Ni87  1  0.184341  0.580040  0.357703  1
  Ni  Ni88  1  0.556382  0.762904  0.310000  1
  Ni  Ni89  1  0.344934  0.772565  0.324045  1
  Ni  Ni90  1  0.713184  0.947611  0.279577  1
  Ni  Ni91  1  0.479394  0.458535  0.330607  1
  Ni  Ni92  1  0.848611  0.631902  0.285791  1
  Ni  Ni93  1  0.058100  0.887604  0.354095  1
  Ni  Ni94  1  0.431217  0.083340  0.307927  1
  Ni  Ni95  1  0.569706  0.359706  0.362974  1
  Ni  Ni96  1  0.936472  0.547006  0.318192  1
  Ni  Ni97  1  0.054038  0.553491  0.288182  1
  Ni  Ni98  1  0.694428  0.365069  0.334200  1
  Ni  Ni99  1  0.207035  0.167356  0.302722  1
  Ni  Ni100  1  0.840543  0.989418  0.349017  1
  Ni  Ni101  1  0.114997  0.957258  0.313060  1
  Ni  Ni102  1  0.751159  0.767515  0.355735  1
  Ni  Ni103  1  0.143183  0.778847  0.285820  1
  Ni  Ni104  1  0.785788  0.583169  0.327477  1
  Ni  Ni105  1  0.203199  0.829514  0.340985  1
  Ni  Ni106  1  0.571855  0.014490  0.297711  1
  Ni  Ni107  1  0.331802  0.521985  0.339178  1
  Ni  Ni108  1  0.701408  0.703172  0.295127  1
  Ni  Ni109  1  0.074646  0.692239  0.329743  1
  Ni  Ni110  1  0.437570  0.868473  0.289434  1
  Ni  Ni111  1  0.461815  0.667598  0.350759  1
  Ni  Ni112  1  0.826150  0.842888  0.308377  1
  Ni  Ni113  1  0.975634  0.317418  0.297233  1
  Ni  Ni114  1  0.611378  0.130907  0.342609  1
  Ni  Ni115  1  0.289813  0.399785  0.292881  1
  Ni  Ni116  1  0.923685  0.224502  0.339529  1
  Ni  Ni117  1  0.069193  0.189424  0.327713  1
  Ni  Ni118  1  0.436152  0.371378  0.284743  1
  Ni  Ni119  1  0.465301  0.170018  0.354098  1
  Ni  Ni120  1  0.832316  0.355448  0.308879  1
  Ni  Ni121  1  0.967623  0.994996  0.322005  1
  Ni  Ni122  1  0.338109  0.174556  0.278106  1
  Ni  Ni123  1  0.400083  0.992752  0.386269  1
  Ni  Ni124  1  0.033843  0.810090  0.432483  1
  Ni  Ni125  1  0.469240  0.985413  0.427827  1
  Ni  Ni126  1  0.837009  0.169077  0.382626  1
  Ni  Ni127  1  0.596167  0.635684  0.436601  1
  Ni  Ni128  1  0.964018  0.817796  0.391552  1
  Ni  Ni129  1  0.447173  0.210230  0.450787  1
  Ni  Ni130  1  0.815817  0.392910  0.406065  1
  Ni  Ni131  1  0.617321  0.411363  0.414054  1
  Ni  Ni132  1  0.987496  0.594955  0.368038  1
  Ni  Ni133  1  0.743724  0.095965  0.421195  1
  Ni  Ni134  1  0.111173  0.279102  0.374607  1
  Ni  Ni135  1  0.323851  0.525409  0.444264  1
  Ni  Ni136  1  0.690845  0.709054  0.398859  1
  Ni  Ni137  1  0.833861  0.994930  0.453652  1
  Ni  Ni138  1  0.200943  0.178967  0.407730  1
  Ni  Ni139  1  0.326639  0.180441  0.379623  1
  Ni  Ni140  1  0.959570  -0.001154  0.425239  1
  Ni  Ni141  1  0.474223  0.804308  0.393826  1
  Ni  Ni142  1  0.107730  0.621632  0.439492  1
  Ni  Ni143  1  0.383638  0.584703  0.401422  1
  Ni  Ni144  1  0.017177  0.402847  0.446780  1
  Ni  Ni145  1  0.416948  0.399584  0.373167  1
  Ni  Ni146  1  0.050701  0.218826  0.417491  1
  Ni  Ni147  1  0.468183  0.463183  0.433685  1
  Ni  Ni148  1  0.835227  0.646711  0.388931  1
  Ni  Ni149  1  0.598192  0.157554  0.430968  1
  Ni  Ni150  1  0.967221  0.340661  0.385028  1
  Ni  Ni151  1  0.340766  0.326151  0.420954  1
  Ni  Ni152  1  0.708206  0.507406  0.376550  1
  Ni  Ni153  1  0.724805  0.297215  0.443463  1
  Ni  Ni154  1  0.094830  0.481605  0.396764  1
  Ni  Ni155  1  0.244250  0.945759  0.387730  1
  Ni  Ni156  1  0.877306  0.762698  0.434179  1
  Ni  Ni157  1  0.556447  0.041016  0.385137  1
  Ni  Ni158  1  0.189778  0.857824  0.430618  1
  Ni  Ni159  1  0.335787  0.818475  0.419435  1
  Ni  Ni160  1  0.703195  0.002887  0.374520  1
  Ni  Ni161  1  0.730241  0.803492  0.445371  1
  Ni  Ni162  1  0.098383  0.986082  0.399927  1
  Ni  Ni163  1  0.233886  0.625080  0.411574  1
  Ni  Ni164  1  0.600834  0.809265  0.366201  1
  Ni  Ni165  1  0.665577  0.627353  0.477925  1
  Ni  Ni166  1  0.298296  0.445100  0.523360  1
  Ni  Ni167  1  0.734850  0.619336  0.519225  1
  Ni  Ni168  1  0.102754  0.802375  0.473667  1
  Ni  Ni169  1  0.861119  0.270077  0.527618  1
  Ni  Ni170  1  0.229022  0.453116  0.482061  1
  Ni  Ni171  1  0.712095  0.843600  0.542015  1
  Ni  Ni172  1  0.080431  0.027371  0.496344  1
  Ni  Ni173  1  0.883441  0.045082  0.504942  1
  Ni  Ni174  1  0.251778  0.228852  0.459270  1
  Ni  Ni175  1  0.008134  0.729628  0.511840  1
  Ni  Ni176  1  0.375532  0.913109  0.466080  1
  Ni  Ni177  1  0.588341  0.159344  0.535206  1
  Ni  Ni178  1  0.955739  0.342824  0.489446  1
  Ni  Ni179  1  0.098204  0.629589  0.544380  1
  Ni  Ni180  1  0.465829  0.812710  0.498812  1
  Ni  Ni181  1  0.591364  0.815917  0.470558  1
  Ni  Ni182  1  0.223978  0.633698  0.515950  1
  Ni  Ni183  1  0.739895  0.438755  0.485336  1
  Ni  Ni184  1  0.372508  0.256535  0.530727  1
  Ni  Ni185  1  0.648968  0.219551  0.492530  1
  Ni  Ni186  1  0.281929  0.038183  0.537793  1
  Ni  Ni187  1  0.681944  0.034269  0.463492  1
  Ni  Ni188  1  0.314905  0.852902  0.508755  1
  Ni  Ni189  1  0.733084  0.097269  0.525000  1
  Ni  Ni190  1  0.100825  0.280707  0.479233  1
  Ni  Ni191  1  0.863048  0.791746  0.522053  1
  Ni  Ni192  1  0.230789  0.975183  0.476285  1
  Ni  Ni193  1  0.606135  0.958687  0.512464  1
  Ni  Ni194  1  0.973811  0.140933  0.467183  1
  Ni  Ni195  1  0.990062  0.931519  0.534103  1
  Ni  Ni196  1  0.357737  0.113765  0.488822  1
  Ni  Ni197  1  0.509235  0.580545  0.479405  1
  Ni  Ni198  1  0.142014  0.397538  0.524760  1
  Ni  Ni199  1  0.821858  0.674915  0.476526  1
  Ni  Ni200  1  0.454638  0.491908  0.521881  1
  Ni  Ni201  1  0.600903  0.451749  0.510555  1
  Ni  Ni202  1  0.968679  0.634478  0.465044  1
  Ni  Ni203  1  0.995193  0.437975  0.536242  1
  Ni  Ni204  1  0.362970  0.620703  0.490730  1
  Ni  Ni205  1  0.498044  0.259743  0.502474  1
  Ni  Ni206  1  0.865669  0.442864  0.456905  1
  Ni  Ni207  1  0.930030  0.262363  0.568802  1
  Ni  Ni208  1  0.563789  0.079701  0.615016  1
  Ni  Ni209  1  0.999855  0.254656  0.609733  1
  Ni  Ni210  1  0.367706  0.436769  0.564684  1
  Ni  Ni211  1  0.126863  0.903375  0.618660  1
  Ni  Ni212  1  0.494632  0.087040  0.573458  1
  Ni  Ni213  1  0.976376  0.477498  0.633248  1
  Ni  Ni214  1  0.346552  0.661090  0.587231  1
  Ni  Ni215  1  0.148056  0.679542  0.595220  1
  Ni  Ni216  1  0.516700  0.862223  0.550498  1
  Ni  Ni217  1  0.273027  0.363399  0.602426  1
  Ni  Ni218  1  0.640021  0.547044  0.557022  1
  Ni  Ni219  1  0.852699  0.793350  0.626678  1
  Ni  Ni220  1  0.220149  0.976487  0.580091  1
  Ni  Ni221  1  0.363038  0.263187  0.635084  1
  Ni  Ni222  1  0.729987  0.447373  0.589712  1
  Ni  Ni223  1  0.856143  0.450820  0.561793  1
  Ni  Ni224  1  0.489650  0.268145  0.607460  1
  Ni  Ni225  1  1.004303  0.073606  0.576046  1
  Ni  Ni226  1  0.637233  0.892012  0.621662  1
  Ni  Ni227  1  0.913171  0.853627  0.583794  1
  Ni  Ni228  1  0.546925  0.672869  0.628119  1
  Ni  Ni229  1  0.946696  0.669606  0.554505  1
  Ni  Ni230  1  0.580235  0.487750  0.599864  1
  Ni  Ni231  1  0.996652  0.731792  0.616257  1
  Ni  Ni232  1  0.365681  0.914898  0.570317  1
  Ni  Ni233  1  0.128645  0.425742  0.612355  1
  Ni  Ni234  1  0.495690  0.609270  0.567600  1
  Ni  Ni235  1  0.869043  0.590848  0.604522  1
  Ni  Ni236  1  0.239068  0.775237  0.557822  1
  Ni  Ni237  1  0.255667  0.565046  0.624735  1
  Ni  Ni238  1  0.623107  0.746302  0.580332  1
  Ni  Ni239  1  0.774095  0.214628  0.570668  1
  Ni  Ni240  1  0.407426  0.031437  0.616148  1
  Ni  Ni241  1  0.086567  0.309754  0.567106  1
  Ni  Ni242  1  0.719622  0.126694  0.613555  1
  Ni  Ni243  1  0.865490  0.086371  0.601359  1
  Ni  Ni244  1  0.233632  0.268961  0.555914  1
  Ni  Ni245  1  0.260678  0.069566  0.626765  1
  Ni  Ni246  1  0.628086  0.253978  0.581851  1
  Ni  Ni247  1  0.762930  0.893485  0.593555  1
  Ni  Ni248  1  0.130011  0.077523  0.547633  1
  Ni  Ni249  1  0.196773  0.893927  0.660739  1
  Ni  Ni250  1  0.834333  0.713093  0.709346  1
  Ni  Ni251  1  0.264620  0.890466  0.702663  1
  Ni  Ni252  1  0.633196  0.070447  0.657047  1
  Ni  Ni253  1  0.395312  0.540024  0.711583  1
  Ni  Ni254  1  0.762785  0.718499  0.667078  1
  Ni  Ni255  1  0.250689  0.124842  0.721708  1
  Ni  Ni256  1  0.618939  0.299887  0.677241  1
  Ni  Ni257  1  0.407491  0.309548  0.691286  1
  Ni  Ni258  1  0.779531  0.492412  0.643583  1
  Ni  Ni259  1  0.532656  0.989112  0.693358  1
  Ni  Ni260  1  0.905772  0.184848  0.647190  1
  Ni  Ni261  1  0.115262  0.440550  0.715495  1
  Ni  Ni262  1  0.484479  0.613918  0.670678  1
  Ni  Ni263  1  0.625764  0.897897  0.723180  1
  Ni  Ni264  1  0.996250  0.077456  0.679281  1
  Ni  Ni265  1  0.123330  0.083034  0.652268  1
  Ni  Ni266  1  0.756838  0.905096  0.698564  1
  Ni  Ni267  1  0.269445  0.707383  0.667086  1
  Ni  Ni268  1  0.909834  0.518962  0.713103  1
  Ni  Ni269  1  0.178085  0.489284  0.673809  1
  Ni  Ni270  1  0.820690  0.293605  0.715466  1
  Ni  Ni271  1  0.212713  0.304938  0.645550  1
  Ni  Ni272  1  0.848876  0.115194  0.688226  1
  Ni  Ni273  1  0.262464  0.369280  0.706159  1
  Ni  Ni274  1  0.632071  0.550468  0.662107  1
  Ni  Ni275  1  0.392018  0.057963  0.703575  1
  Ni  Ni276  1  0.760673  0.242938  0.660301  1
  Ni  Ni277  1  0.137722  0.229565  0.692908  1
  Ni  Ni278  1  0.502058  0.404854  0.650527  1
  Ni  Ni279  1  0.526303  0.203980  0.711852  1
  Ni  Ni280  1  0.889227  0.380213  0.671542  1
  Ni  Ni281  1  0.040188  0.847951  0.661756  1
  Ni  Ni282  1  0.674060  0.672667  0.708404  1
  Ni  Ni283  1  0.352494  0.941545  0.658677  1
  Ni  Ni284  1  0.988238  0.755034  0.704052  1
  Ni  Ni285  1  0.131557  0.717005  0.692407  1
  Ni  Ni286  1  0.498572  0.902434  0.647188  1
  Ni  Ni287  1  0.527721  0.701075  0.716542  1
  Ni  Ni288  1  0.894679  0.883029  0.673573  1
  Ni  Ni289  1  0.027401  0.525446  0.683093  1
  Ni  Ni290  1  0.394167  0.712746  0.638312  1
