# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.63046639
_cell_length_b   20.25137001
_cell_length_c   52.50189708
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   91.72764278
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8109.29364443
_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  0.839218  0.886726  0.345365  1
  Zr  Zr2  1  0.773202  0.487991  0.298499  1
  Zr  Zr3  1  0.899716  0.285505  0.394851  1
  Zr  Zr4  1  0.891541  0.164302  0.335367  1
  Zr  Zr5  1  0.822362  0.763147  0.288018  1
  Zr  Zr6  1  0.952777  0.561439  0.382548  1
  Zr  Zr7  1  0.378952  0.157533  0.376275  1
  Zr  Zr8  1  0.316255  0.761373  0.328007  1
  Zr  Zr9  1  0.269530  0.369038  0.283731  1
  Zr  Zr10  1  0.352016  0.895985  0.304397  1
  Zr  Zr11  1  0.479156  0.687529  0.401507  1
  Zr  Zr12  1  0.414519  0.288313  0.354742  1
  Zr  Zr13  1  0.379966  0.071276  0.314514  1
  Zr  Zr14  1  0.503422  0.863069  0.406706  1
  Zr  Zr15  1  0.436670  0.464702  0.359778  1
  Zr  Zr16  1  0.353643  0.981261  0.369533  1
  Zr  Zr17  1  0.286809  0.582859  0.323320  1
  Zr  Zr18  1  0.225943  0.184422  0.279558  1
  Zr  Zr19  1  0.871433  0.985132  0.291895  1
  Zr  Zr20  1  0.995038  0.775170  0.386332  1
  Zr  Zr21  1  0.928788  0.377853  0.338810  1
  Zr  Zr22  1  0.860853  0.070541  0.390429  1
  Zr  Zr23  1  0.795174  0.672918  0.341246  1
  Zr  Zr24  1  0.733134  0.276022  0.294475  1
  Zr  Zr25  1  0.030048  0.080147  0.489958  1
  Zr  Zr26  1  0.963900  0.683058  0.441958  1
  Zr  Zr27  1  0.092833  0.479381  0.537910  1
  Zr  Zr28  1  0.082105  0.357148  0.478046  1
  Zr  Zr29  1  0.019320  0.957915  0.430093  1
  Zr  Zr30  1  0.148252  0.754237  0.526045  1
  Zr  Zr31  1  0.567945  0.352450  0.518208  1
  Zr  Zr32  1  0.504450  0.953298  0.470519  1
  Zr  Zr33  1  0.439537  0.556597  0.423132  1
  Zr  Zr34  1  0.544208  0.084845  0.449795  1
  Zr  Zr35  1  0.672616  0.880699  0.544872  1
  Zr  Zr36  1  0.607702  0.483997  0.497485  1
  Zr  Zr37  1  0.565956  0.261589  0.455288  1
  Zr  Zr38  1  0.695483  0.056976  0.550293  1
  Zr  Zr39  1  0.631293  0.659698  0.503158  1
  Zr  Zr40  1  0.546197  0.175706  0.512715  1
  Zr  Zr41  1  0.480859  0.777598  0.464845  1
  Zr  Zr42  1  0.416669  0.380320  0.417711  1
  Zr  Zr43  1  0.059690  0.172575  0.435036  1
  Zr  Zr44  1  0.189806  0.967811  0.530214  1
  Zr  Zr45  1  0.123701  0.571427  0.482692  1
  Zr  Zr46  1  0.052463  0.264720  0.532968  1
  Zr  Zr47  1  0.988451  0.865868  0.485312  1
  Zr  Zr48  1  0.922347  0.469484  0.437790  1
  Zr  Zr49  1  0.220612  0.272993  0.632637  1
  Zr  Zr50  1  0.159376  0.875856  0.585455  1
  Zr  Zr51  1  0.289790  0.674148  0.679985  1
  Zr  Zr52  1  0.272934  0.550569  0.622638  1
  Zr  Zr53  1  0.212437  0.151790  0.573153  1
  Zr  Zr54  1  0.338951  0.949304  0.669505  1
  Zr  Zr55  1  0.760137  0.541310  0.663606  1
  Zr  Zr56  1  0.697634  0.148982  0.613261  1
  Zr  Zr57  1  0.632996  0.749766  0.566497  1
  Zr  Zr58  1  0.733200  0.279762  0.591728  1
  Zr  Zr59  1  0.842623  0.068257  0.684273  1
  Zr  Zr60  1  0.795898  0.675922  0.639997  1
  Zr  Zr61  1  0.758509  0.456034  0.598470  1
  Zr  Zr62  1  0.886210  0.252873  0.688445  1
  Zr  Zr63  1  0.825344  0.854436  0.644684  1
  Zr  Zr64  1  0.732187  0.366019  0.653489  1
  Zr  Zr65  1  0.675483  0.972594  0.608225  1
  Zr  Zr66  1  0.608731  0.574227  0.561297  1
  Zr  Zr67  1  0.251299  0.366754  0.577575  1
  Zr  Zr68  1  0.379018  0.161274  0.673529  1
  Zr  Zr69  1  0.316978  0.764377  0.626757  1
  Zr  Zr70  1  0.240720  0.452163  0.676109  1
  Zr  Zr71  1  0.183365  0.059443  0.629194  1
  Zr  Zr72  1  0.117114  0.662126  0.581672  1
  Ni  Ni73  1  0.867142  0.024003  0.340793  1
  Ni  Ni74  1  0.795339  0.624058  0.291585  1
  Ni  Ni75  1  0.925163  0.423290  0.388599  1
  Ni  Ni76  1  0.587741  0.972008  0.327556  1
  Ni  Ni77  1  0.493466  0.568261  0.281891  1
  Ni  Ni78  1  0.646715  0.369066  0.375320  1
  Ni  Ni79  1  0.142680  0.077833  0.354900  1
  Ni  Ni80  1  0.074807  0.676702  0.306840  1
  Ni  Ni81  1  0.206798  0.476372  0.402181  1
  Ni  Ni82  1  0.679665  0.881285  0.297903  1
  Ni  Ni83  1  0.806229  0.673129  0.394343  1
  Ni  Ni84  1  0.742912  0.276088  0.346333  1
  Ni  Ni85  1  0.050571  0.173390  0.382777  1
  Ni  Ni86  1  0.989807  0.777422  0.331432  1
  Ni  Ni87  1  0.930132  0.378621  0.286438  1
  Ni  Ni88  1  0.559301  0.268116  0.402574  1
  Ni  Ni89  1  0.496737  0.870299  0.353057  1
  Ni  Ni90  1  0.433525  0.470049  0.307848  1
  Ni  Ni91  1  0.165551  0.781513  0.283703  1
  Ni  Ni92  1  0.294771  0.578096  0.375567  1
  Ni  Ni93  1  0.231834  0.181734  0.328898  1
  Ni  Ni94  1  0.236264  0.265812  0.401969  1
  Ni  Ni95  1  0.173806  0.868560  0.352452  1
  Ni  Ni96  1  0.112164  0.467924  0.308397  1
  Ni  Ni97  1  0.136121  0.974191  0.327134  1
  Ni  Ni98  1  0.079457  0.567251  0.282790  1
  Ni  Ni99  1  0.195163  0.370734  0.377223  1
  Ni  Ni100  1  0.598732  0.077549  0.353617  1
  Ni  Ni101  1  0.524203  0.678664  0.304462  1
  Ni  Ni102  1  0.655519  0.475241  0.400450  1
  Ni  Ni103  1  0.536729  0.071393  0.401166  1
  Ni  Ni104  1  0.471410  0.673476  0.352660  1
  Ni  Ni105  1  0.412162  0.275557  0.304873  1
  Ni  Ni106  1  0.206596  1.004844  0.279632  1
  Ni  Ni107  1  0.319678  0.774029  0.376052  1
  Ni  Ni108  1  0.254349  0.373111  0.329760  1
  Ni  Ni109  1  0.198930  0.068356  0.403900  1
  Ni  Ni110  1  0.132717  0.671777  0.355955  1
  Ni  Ni111  1  0.070776  0.275214  0.308456  1
  Ni  Ni112  1  0.540984  0.994192  0.280248  1
  Ni  Ni113  1  0.655989  0.776626  0.372499  1
  Ni  Ni114  1  0.590085  0.376997  0.324579  1
  Ni  Ni115  1  0.019037  0.873702  0.303444  1
  Ni  Ni116  1  0.155089  0.664563  0.401864  1
  Ni  Ni117  1  0.088717  0.267686  0.354771  1
  Ni  Ni118  1  0.701380  0.183625  0.375669  1
  Ni  Ni119  1  0.639207  0.785763  0.326091  1
  Ni  Ni120  1  0.595714  0.386403  0.278670  1
  Ni  Ni121  1  0.024784  0.965947  0.376809  1
  Ni  Ni122  1  0.954518  0.566569  0.328911  1
  Ni  Ni123  1  0.890089  0.168362  0.283933  1
  Ni  Ni124  1  0.708292  0.083465  0.306443  1
  Ni  Ni125  1  0.832243  0.878236  0.399225  1
  Ni  Ni126  1  0.765232  0.480277  0.351569  1
  Ni  Ni127  1  0.679702  0.967071  0.376632  1
  Ni  Ni128  1  0.611938  0.569227  0.328137  1
  Ni  Ni129  1  0.555393  0.168028  0.282967  1
  Ni  Ni130  1  0.050731  0.085067  0.306735  1
  Ni  Ni131  1  0.178110  0.877432  0.399923  1
  Ni  Ni132  1  0.112167  0.480051  0.353730  1
  Ni  Ni133  1  0.490339  0.787016  0.281863  1
  Ni  Ni134  1  0.617659  0.579829  0.375350  1
  Ni  Ni135  1  0.556683  0.183904  0.328399  1
  Ni  Ni136  1  0.056076  0.218648  0.484002  1
  Ni  Ni137  1  0.991747  0.820343  0.435898  1
  Ni  Ni138  1  0.120405  0.616953  0.532106  1
  Ni  Ni139  1  0.776220  0.165291  0.470812  1
  Ni  Ni140  1  0.711918  0.767224  0.422568  1
  Ni  Ni141  1  0.840016  0.563800  0.518791  1
  Ni  Ni142  1  0.335933  0.272004  0.497192  1
  Ni  Ni143  1  0.272136  0.873495  0.449212  1
  Ni  Ni144  1  0.400235  0.670071  0.545436  1
  Ni  Ni145  1  0.871346  0.070144  0.442724  1
  Ni  Ni146  1  1.000788  0.866031  0.538043  1
  Ni  Ni147  1  0.935112  0.469325  0.490460  1
  Ni  Ni148  1  0.240807  0.367151  0.525280  1
  Ni  Ni149  1  0.177041  0.967971  0.477544  1
  Ni  Ni150  1  0.111364  0.571264  0.429961  1
  Ni  Ni151  1  0.751895  0.462445  0.545372  1
  Ni  Ni152  1  0.689288  0.063037  0.497394  1
  Ni  Ni153  1  0.623377  0.665922  0.449730  1
  Ni  Ni154  1  0.360258  0.974850  0.422631  1
  Ni  Ni155  1  0.488775  0.771373  0.518273  1
  Ni  Ni156  1  0.422864  0.374259  0.470610  1
  Ni  Ni157  1  0.428540  0.460181  0.544617  1
  Ni  Ni158  1  0.365736  0.060792  0.496858  1
  Ni  Ni159  1  0.300034  0.663769  0.449037  1
  Ni  Ni160  1  0.325759  0.166215  0.472163  1
  Ni  Ni161  1  0.261214  0.768767  0.423827  1
  Ni  Ni162  1  0.390148  0.565191  0.519981  1
  Ni  Ni163  1  0.786394  0.271080  0.495841  1
  Ni  Ni164  1  0.722005  0.872104  0.448023  1
  Ni  Ni165  1  0.850939  0.668529  0.544176  1
  Ni  Ni166  1  0.728628  0.266552  0.543446  1
  Ni  Ni167  1  0.664860  0.867532  0.495962  1
  Ni  Ni168  1  0.599227  0.471029  0.448544  1
  Ni  Ni169  1  0.383525  0.170743  0.424557  1
  Ni  Ni170  1  0.512926  0.966267  0.519460  1
  Ni  Ni171  1  0.447292  0.569764  0.472041  1
  Ni  Ni172  1  0.390929  0.262900  0.546595  1
  Ni  Ni173  1  0.326663  0.864107  0.499056  1
  Ni  Ni174  1  0.261026  0.467562  0.451569  1
  Ni  Ni175  1  0.721224  0.174396  0.421409  1
  Ni  Ni176  1  0.851127  0.969733  0.516434  1
  Ni  Ni177  1  0.785490  0.573189  0.468948  1
  Ni  Ni178  1  0.221267  0.061354  0.449549  1
  Ni  Ni179  1  0.350336  0.857113  0.545188  1
  Ni  Ni180  1  0.284438  0.460743  0.497431  1
  Ni  Ni181  1  0.890886  0.375941  0.518454  1
  Ni  Ni182  1  0.827715  0.976553  0.470572  1
  Ni  Ni183  1  0.761816  0.580182  0.422815  1
  Ni  Ni184  1  0.216955  0.160647  0.520552  1
  Ni  Ni185  1  0.152095  0.762503  0.472681  1
  Ni  Ni186  1  0.086824  0.365680  0.425418  1
  Ni  Ni187  1  0.895198  0.276648  0.447452  1
  Ni  Ni188  1  0.025328  0.071616  0.542586  1
  Ni  Ni189  1  0.960058  0.674792  0.495322  1
  Ni  Ni190  1  0.870852  0.161403  0.519632  1
  Ni  Ni191  1  0.805661  0.763407  0.471978  1
  Ni  Ni192  1  0.740966  0.366451  0.424532  1
  Ni  Ni193  1  0.241301  0.275892  0.448372  1
  Ni  Ni194  1  0.371187  0.070844  0.543472  1
  Ni  Ni195  1  0.306492  0.673888  0.496026  1
  Ni  Ni196  1  0.683613  0.977114  0.423387  1
  Ni  Ni197  1  0.812118  0.773526  0.518967  1
  Ni  Ni198  1  0.746416  0.376504  0.471146  1
  Ni  Ni199  1  0.245010  0.413293  0.627210  1
  Ni  Ni200  1  0.186990  1.014005  0.579404  1
  Ni  Ni201  1  0.316814  0.813238  0.676419  1
  Ni  Ni202  1  0.969473  0.359462  0.613104  1
  Ni  Ni203  1  0.905354  0.960923  0.565822  1
  Ni  Ni204  1  0.037346  0.760594  0.661164  1
  Ni  Ni205  1  0.524411  0.465287  0.640448  1
  Ni  Ni206  1  0.465438  0.068229  0.592683  1
  Ni  Ni207  1  0.618687  0.869034  0.686113  1
  Ni  Ni208  1  0.061581  0.263906  0.585226  1
  Ni  Ni209  1  0.182020  0.058674  0.681566  1
  Ni  Ni210  1  0.122346  0.659874  0.636571  1
  Ni  Ni211  1  0.432487  0.556010  0.670101  1
  Ni  Ni212  1  0.369241  0.161207  0.621670  1
  Ni  Ni213  1  0.305923  0.764166  0.573660  1
  Ni  Ni214  1  0.946602  0.655782  0.684301  1
  Ni  Ni215  1  0.880318  0.255562  0.639105  1
  Ni  Ni216  1  0.817381  0.859199  0.592436  1
  Ni  Ni217  1  0.552851  0.169180  0.565429  1
  Ni  Ni218  1  0.678628  0.967246  0.660156  1
  Ni  Ni219  1  0.615416  0.566996  0.614947  1
  Ni  Ni220  1  0.621814  0.650279  0.686141  1
  Ni  Ni221  1  0.555470  0.253391  0.639605  1
  Ni  Ni222  1  0.494493  0.857466  0.592653  1
  Ni  Ni223  1  0.513421  0.359746  0.614387  1
  Ni  Ni224  1  0.456634  0.962054  0.567554  1
  Ni  Ni225  1  0.587950  0.758631  0.663541  1
  Ni  Ni226  1  0.976032  0.463105  0.640870  1
  Ni  Ni227  1  0.916990  0.066561  0.590781  1
  Ni  Ni228  1  0.032696  0.870044  0.685213  1
  Ni  Ni229  1  0.905557  0.432451  0.688372  1
  Ni  Ni230  1  0.857803  0.064184  0.638244  1
  Ni  Ni231  1  0.792474  0.663266  0.591952  1
  Ni  Ni232  1  0.575423  0.365902  0.566838  1
  Ni  Ni233  1  0.699990  0.161738  0.663131  1
  Ni  Ni234  1  0.640743  0.763819  0.615344  1
  Ni  Ni235  1  0.571168  0.443104  0.687756  1
  Ni  Ni236  1  0.522067  0.060298  0.643424  1
  Ni  Ni237  1  0.456164  0.660669  0.595505  1
  Ni  Ni238  1  0.913222  0.368939  0.564103  1
  Ni  Ni239  1  0.041377  0.162082  0.659547  1
  Ni  Ni240  1  0.979436  0.765519  0.612049  1
  Ni  Ni241  1  0.410772  0.253670  0.592335  1
  Ni  Ni242  1  0.516438  0.050893  0.689333  1
  Ni  Ni243  1  0.472946  0.651532  0.641913  1
  Ni  Ni244  1  0.093116  0.563593  0.664560  1
  Ni  Ni245  1  0.023435  0.169609  0.613232  1
  Ni  Ni246  1  0.957064  0.772732  0.566139  1
  Ni  Ni247  1  0.403860  0.353830  0.661561  1
  Ni  Ni248  1  0.346920  0.957018  0.616435  1
  Ni  Ni249  1  0.279909  0.559059  0.568778  1
  Ni  Ni250  1  0.087369  0.471349  0.591195  1
  Ni  Ni251  1  0.222063  0.268933  0.684071  1
  Ni  Ni252  1  0.157635  0.870727  0.639092  1
  Ni  Ni253  1  0.061421  0.352228  0.661269  1
  Ni  Ni254  1  0.999985  0.957244  0.614274  1
  Ni  Ni255  1  0.934043  0.559864  0.568080  1
  Ni  Ni256  1  0.432451  0.470224  0.591372  1
  Ni  Ni257  1  0.556759  0.269267  0.685037  1
  Ni  Ni258  1  0.500214  0.868069  0.639867  1
  Ni  Ni259  1  0.875889  0.171484  0.566035  1
  Ni  Ni260  1  0.999989  0.969372  0.659607  1
  Ni  Ni261  1  0.938346  0.568735  0.615552  1
