# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.54628594
_cell_length_b   25.14992550
_cell_length_c   49.45710087
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.64350753
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8140.26611901
_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  0.057128  0.639054  0.303965  1
  Zr  Zr2  1  0.237117  0.030187  0.344731  1
  Zr  Zr3  1  0.396170  0.413032  0.393460  1
  Zr  Zr4  1  0.005779  0.351491  0.319788  1
  Zr  Zr5  1  0.159394  0.733438  0.366793  1
  Zr  Zr6  1  0.325616  0.118843  0.413298  1
  Zr  Zr7  1  0.108463  0.572190  0.401118  1
  Zr  Zr8  1  0.812334  0.799763  0.305672  1
  Zr  Zr9  1  0.950999  0.188685  0.353515  1
  Zr  Zr10  1  0.447498  0.575480  0.358006  1
  Zr  Zr11  1  0.610757  0.961403  0.404642  1
  Zr  Zr12  1  0.300218  0.193289  0.310694  1
  Zr  Zr13  1  0.777900  0.521383  0.308851  1
  Zr  Zr14  1  0.938972  0.900816  0.354904  1
  Zr  Zr15  1  0.102954  0.285575  0.402111  1
  Zr  Zr16  1  0.293121  0.481883  0.310305  1
  Zr  Zr17  1  0.454513  0.864266  0.356392  1
  Zr  Zr18  1  0.619851  0.248228  0.403610  1
  Zr  Zr19  1  0.879213  0.453831  0.390129  1
  Zr  Zr20  1  0.550924  0.684810  0.296706  1
  Zr  Zr21  1  0.722528  0.069010  0.340994  1
  Zr  Zr22  1  0.669490  0.695911  0.370969  1
  Zr  Zr23  1  0.839544  0.079107  0.416551  1
  Zr  Zr24  1  0.523869  0.312342  0.320225  1
  Zr  Zr25  1  0.550190  0.800507  0.441099  1
  Zr  Zr26  1  0.712384  0.183925  0.488093  1
  Zr  Zr27  1  0.868954  0.569641  0.536224  1
  Zr  Zr28  1  0.482884  0.504003  0.461522  1
  Zr  Zr29  1  0.639454  0.889719  0.509653  1
  Zr  Zr30  1  0.801647  0.273137  0.556647  1
  Zr  Zr31  1  0.582307  0.728278  0.544482  1
  Zr  Zr32  1  0.268056  0.957913  0.448719  1
  Zr  Zr33  1  0.426778  0.342049  0.496091  1
  Zr  Zr34  1  0.925060  0.731595  0.501655  1
  Zr  Zr35  1  0.083782  0.115730  0.549027  1
  Zr  Zr36  1  0.769530  0.345366  0.453264  1
  Zr  Zr37  1  0.257875  0.670735  0.450730  1
  Zr  Zr38  1  0.417714  0.055311  0.497879  1
  Zr  Zr39  1  0.578391  0.440093  0.545198  1
  Zr  Zr40  1  0.773446  0.633550  0.452548  1
  Zr  Zr41  1  0.934124  0.018333  0.499867  1
  Zr  Zr42  1  0.093962  0.402908  0.547016  1
  Zr  Zr43  1  0.354898  0.609255  0.533160  1
  Zr  Zr44  1  0.036572  0.839778  0.437743  1
  Zr  Zr45  1  0.198779  0.223569  0.484880  1
  Zr  Zr46  1  0.153059  0.850074  0.512866  1
  Zr  Zr47  1  0.315265  0.233865  0.560003  1
  Zr  Zr48  1  0.996939  0.464389  0.464586  1
  Zr  Zr49  1  0.026221  0.954800  0.584448  1
  Zr  Zr50  1  0.192443  0.340205  0.630953  1
  Zr  Zr51  1  0.346058  0.722153  0.677958  1
  Zr  Zr52  1  0.955668  0.660611  0.604286  1
  Zr  Zr53  1  0.114720  0.043456  0.653015  1
  Zr  Zr54  1  0.294710  0.434589  0.693781  1
  Zr  Zr55  1  0.051620  0.880354  0.687052  1
  Zr  Zr56  1  0.741080  0.112240  0.593104  1
  Zr  Zr57  1  0.904340  0.498163  0.639740  1
  Zr  Zr58  1  0.400838  0.884959  0.644231  1
  Zr  Zr59  1  0.539504  0.273880  0.692074  1
  Zr  Zr60  1  0.243374  0.501453  0.596628  1
  Zr  Zr61  1  0.731987  0.825415  0.594136  1
  Zr  Zr62  1  0.897324  0.209377  0.641354  1
  Zr  Zr63  1  0.058717  0.591760  0.687441  1
  Zr  Zr64  1  0.248883  0.788068  0.595635  1
  Zr  Zr65  1  0.412865  0.172827  0.642842  1
  Zr  Zr66  1  0.573937  0.552260  0.688895  1
  Zr  Zr67  1  0.827969  0.761301  0.677521  1
  Zr  Zr68  1  0.512294  0.994537  0.581195  1
  Zr  Zr69  1  0.682347  0.377732  0.626777  1
  Zr  Zr70  1  0.629309  0.004633  0.656752  1
  Zr  Zr71  1  0.800913  0.388833  0.701040  1
  Zr  Zr72  1  0.472624  0.619813  0.607617  1
  Ni  Ni73  1  0.698871  0.383449  0.354362  1
  Ni  Ni74  1  0.855048  0.767506  0.403590  1
  Ni  Ni75  1  0.538312  0.997490  0.304075  1
  Ni  Ni76  1  0.422179  0.584204  0.304403  1
  Ni  Ni77  1  0.590648  0.966643  0.350745  1
  Ni  Ni78  1  0.751376  0.350263  0.400582  1
  Ni  Ni79  1  0.645700  0.417974  0.308441  1
  Ni  Ni80  1  0.802684  0.799784  0.357200  1
  Ni  Ni81  1  0.970145  0.182877  0.405195  1
  Ni  Ni82  1  0.353075  0.664377  0.337295  1
  Ni  Ni83  1  0.517216  0.050208  0.383275  1
  Ni  Ni84  1  0.202599  0.285020  0.289919  1
  Ni  Ni85  1  0.202283  0.483205  0.422808  1
  Ni  Ni86  1  0.865228  0.712386  0.329106  1
  Ni  Ni87  1  0.043931  0.099057  0.374039  1
  Ni  Ni88  1  0.105026  0.558455  0.333094  1
  Ni  Ni89  1  0.264342  0.947234  0.377097  1
  Ni  Ni90  1  0.423806  0.330578  0.425472  1
  Ni  Ni91  1  0.984368  0.435505  0.287282  1
  Ni  Ni92  1  0.140940  0.816007  0.336268  1
  Ni  Ni93  1  0.299826  0.203059  0.380444  1
  Ni  Ni94  1  0.215641  0.489251  0.367071  1
  Ni  Ni95  1  0.370793  0.877936  0.413552  1
  Ni  Ni96  1  0.060621  0.109176  0.318590  1
  Ni  Ni97  1  0.576264  0.474648  0.350235  1
  Ni  Ni98  1  0.735867  0.859526  0.398615  1
  Ni  Ni99  1  0.422333  0.090516  0.302438  1
  Ni  Ni100  1  0.976921  0.674544  0.409356  1
  Ni  Ni101  1  0.658914  0.900363  0.312615  1
  Ni  Ni102  1  0.822456  0.290752  0.359766  1
  Ni  Ni103  1  0.715067  0.607261  0.396675  1
  Ni  Ni104  1  0.393880  0.829090  0.302055  1
  Ni  Ni105  1  0.561623  0.222819  0.347420  1
  Ni  Ni106  1  0.837227  0.540809  0.363444  1
  Ni  Ni107  1  1.001495  0.927775  0.410141  1
  Ni  Ni108  1  0.696347  0.156209  0.312841  1
  Ni  Ni109  1  0.317798  0.382636  0.288431  1
  Ni  Ni110  1  0.493658  0.761084  0.335348  1
  Ni  Ni111  1  0.651407  0.147466  0.382073  1
  Ni  Ni112  1  0.733397  0.617234  0.331194  1
  Ni  Ni113  1  0.910399  1.001455  0.375116  1
  Ni  Ni114  1  0.068496  0.385898  0.424197  1
  Ni  Ni115  1  0.527151  0.512853  0.399199  1
  Ni  Ni116  1  0.189627  0.739648  0.307180  1
  Ni  Ni117  1  0.371607  0.129294  0.350402  1
  Ni  Ni118  1  0.022580  0.635371  0.361301  1
  Ni  Ni119  1  0.191447  0.020660  0.407599  1
  Ni  Ni120  1  0.880578  0.247469  0.313126  1
  Ni  Ni121  1  0.327636  0.399303  0.339523  1
  Ni  Ni122  1  0.482061  0.784656  0.388355  1
  Ni  Ni123  1  0.162071  0.018982  0.293129  1
  Ni  Ni124  1  0.228443  0.751014  0.419250  1
  Ni  Ni125  1  0.907237  0.978276  0.320444  1
  Ni  Ni126  1  0.071255  0.367331  0.370969  1
  Ni  Ni127  1  0.591876  0.703315  0.421476  1
  Ni  Ni128  1  0.283679  0.934449  0.323053  1
  Ni  Ni129  1  0.438054  0.318185  0.371759  1
  Ni  Ni130  1  0.959605  0.449774  0.337581  1
  Ni  Ni131  1  0.118370  0.831484  0.386900  1
  Ni  Ni132  1  0.803383  0.062333  0.290556  1
  Ni  Ni133  1  0.341263  0.656178  0.394220  1
  Ni  Ni134  1  0.037883  0.882516  0.301719  1
  Ni  Ni135  1  0.191999  0.272216  0.344290  1
  Ni  Ni136  1  0.175919  0.536822  0.498873  1
  Ni  Ni137  1  0.332587  0.922320  0.546968  1
  Ni  Ni138  1  0.019250  0.151324  0.450777  1
  Ni  Ni139  1  0.907268  0.736038  0.449374  1
  Ni  Ni140  1  0.069265  0.120042  0.496494  1
  Ni  Ni141  1  0.227154  0.505065  0.544422  1
  Ni  Ni142  1  0.124683  0.568578  0.453324  1
  Ni  Ni143  1  0.282572  0.953602  0.501252  1
  Ni  Ni144  1  0.444569  0.337606  0.548372  1
  Ni  Ni145  1  0.830492  0.820837  0.479859  1
  Ni  Ni146  1  0.992507  0.204625  0.526914  1
  Ni  Ni147  1  0.675269  0.434770  0.431996  1
  Ni  Ni148  1  0.676569  0.638874  0.565750  1
  Ni  Ni149  1  0.359330  0.869018  0.470832  1
  Ni  Ni150  1  0.521345  0.252806  0.517887  1
  Ni  Ni151  1  0.579019  0.717379  0.473843  1
  Ni  Ni152  1  0.739247  0.101187  0.520694  1
  Ni  Ni153  1  0.897517  0.486552  0.568404  1
  Ni  Ni154  1  0.454320  0.587092  0.429342  1
  Ni  Ni155  1  0.612590  0.972456  0.477052  1
  Ni  Ni156  1  0.772819  0.356265  0.523903  1
  Ni  Ni157  1  0.687987  0.647525  0.509218  1
  Ni  Ni158  1  0.846910  0.032397  0.556987  1
  Ni  Ni159  1  0.533004  0.261264  0.460886  1
  Ni  Ni160  1  0.053444  0.629371  0.493906  1
  Ni  Ni161  1  0.211895  0.014486  0.541694  1
  Ni  Ni162  1  0.897722  0.243698  0.445462  1
  Ni  Ni163  1  0.454115  0.829946  0.552284  1
  Ni  Ni164  1  0.139942  0.059157  0.456052  1
  Ni  Ni165  1  0.298394  0.444272  0.503840  1
  Ni  Ni166  1  0.190903  0.762671  0.540110  1
  Ni  Ni167  1  0.873354  0.992007  0.444481  1
  Ni  Ni168  1  0.035577  0.376444  0.491735  1
  Ni  Ni169  1  0.316261  0.697200  0.506011  1
  Ni  Ni170  1  0.478484  0.081636  0.553265  1
  Ni  Ni171  1  0.160935  0.310972  0.457636  1
  Ni  Ni172  1  0.808264  0.532586  0.430294  1
  Ni  Ni173  1  0.966221  0.917632  0.478102  1
  Ni  Ni174  1  0.127139  0.301704  0.525409  1
  Ni  Ni175  1  0.224699  0.771939  0.472337  1
  Ni  Ni176  1  0.385617  0.156011  0.519644  1
  Ni  Ni177  1  0.543573  0.541057  0.567452  1
  Ni  Ni178  1  1.001909  0.668647  0.542165  1
  Ni  Ni179  1  0.682949  0.899214  0.446528  1
  Ni  Ni180  1  0.846100  0.282457  0.493883  1
  Ni  Ni181  1  0.505737  0.791187  0.503863  1
  Ni  Ni182  1  0.668889  0.174430  0.551218  1
  Ni  Ni183  1  0.349928  0.404996  0.455581  1
  Ni  Ni184  1  0.804358  0.552906  0.483472  1
  Ni  Ni185  1  0.961217  0.938297  0.531555  1
  Ni  Ni186  1  0.647574  0.167643  0.435315  1
  Ni  Ni187  1  0.704263  0.906000  0.562431  1
  Ni  Ni188  1  0.390621  0.135347  0.466191  1
  Ni  Ni189  1  0.547479  0.520737  0.514274  1
  Ni  Ni190  1  0.068728  0.857836  0.564376  1
  Ni  Ni191  1  0.755113  0.087185  0.468051  1
  Ni  Ni192  1  0.913223  0.472674  0.515868  1
  Ni  Ni193  1  0.438614  0.600970  0.481878  1
  Ni  Ni194  1  0.596724  0.986458  0.529695  1
  Ni  Ni195  1  0.283109  0.215807  0.433370  1
  Ni  Ni196  1  0.818833  0.812380  0.536860  1
  Ni  Ni197  1  0.504927  0.041246  0.440759  1
  Ni  Ni198  1  0.663850  0.426118  0.488528  1
  Ni  Ni199  1  0.652967  0.690194  0.643384  1
  Ni  Ni200  1  0.813525  0.076153  0.693671  1
  Ni  Ni201  1  0.496790  0.306137  0.594156  1
  Ni  Ni202  1  0.381693  0.890766  0.592551  1
  Ni  Ni203  1  0.549153  0.273859  0.640546  1
  Ni  Ni204  1  0.706138  0.655670  0.689305  1
  Ni  Ni205  1  0.600462  0.723381  0.597164  1
  Ni  Ni206  1  0.761189  0.107000  0.647001  1
  Ni  Ni207  1  0.929659  0.489440  0.693343  1
  Ni  Ni208  1  0.307906  0.974587  0.623707  1
  Ni  Ni209  1  0.486609  0.361257  0.668640  1
  Ni  Ni210  1  0.149555  0.590439  0.574938  1
  Ni  Ni211  1  0.149239  0.788623  0.707826  1
  Ni  Ni212  1  0.834621  0.023436  0.614471  1
  Ni  Ni213  1  0.998762  0.409266  0.660451  1
  Ni  Ni214  1  0.052012  0.870585  0.617302  1
  Ni  Ni215  1  0.210897  0.257636  0.661478  1
  Ni  Ni216  1  0.367469  0.638138  0.710464  1
  Ni  Ni217  1  0.928031  0.743066  0.572274  1
  Ni  Ni218  1  0.087495  0.126409  0.620649  1
  Ni  Ni219  1  0.246811  0.515189  0.664652  1
  Ni  Ni220  1  0.159839  0.801427  0.653455  1
  Ni  Ni221  1  0.313954  0.191128  0.696027  1
  Ni  Ni222  1  0.010575  0.417465  0.603525  1
  Ni  Ni223  1  0.529382  0.782892  0.637980  1
  Ni  Ni224  1  0.692923  0.173280  0.685131  1
  Ni  Ni225  1  0.374916  0.399099  0.588390  1
  Ni  Ni226  1  0.929505  0.983127  0.695308  1
  Ni  Ni227  1  0.615970  0.214117  0.599131  1
  Ni  Ni228  1  0.775573  0.598995  0.647511  1
  Ni  Ni229  1  0.655490  0.917435  0.684905  1
  Ni  Ni230  1  0.350342  0.145868  0.587605  1
  Ni  Ni231  1  0.514611  0.532834  0.634302  1
  Ni  Ni232  1  0.790215  0.850824  0.650326  1
  Ni  Ni233  1  0.957958  0.244553  0.695691  1
  Ni  Ni234  1  0.636770  0.466383  0.601071  1
  Ni  Ni235  1  0.283341  0.687746  0.573549  1
  Ni  Ni236  1  0.441439  0.072188  0.622630  1
  Ni  Ni237  1  0.618440  0.456409  0.666552  1
  Ni  Ni238  1  0.700430  0.926177  0.615673  1
  Ni  Ni239  1  0.858179  0.312560  0.662398  1
  Ni  Ni240  1  0.034040  0.691007  0.709315  1
  Ni  Ni241  1  0.471260  0.826174  0.684620  1
  Ni  Ni242  1  0.160391  0.052983  0.590147  1
  Ni  Ni243  1  0.329257  0.438272  0.636445  1
  Ni  Ni244  1  0.980231  0.944350  0.647344  1
  Ni  Ni245  1  0.162210  0.333996  0.690566  1
  Ni  Ni246  1  0.824686  0.560790  0.598547  1
  Ni  Ni247  1  0.280582  0.706312  0.626777  1
  Ni  Ni248  1  0.444600  0.095368  0.677302  1
  Ni  Ni249  1  0.123394  0.322630  0.578496  1
  Ni  Ni250  1  0.189767  0.054661  0.704617  1
  Ni  Ni251  1  0.869776  0.288988  0.609391  1
  Ni  Ni252  1  0.024201  0.674340  0.658223  1
  Ni  Ni253  1  0.548455  0.011311  0.707190  1
  Ni  Ni254  1  0.233467  0.242160  0.610846  1
  Ni  Ni255  1  0.392232  0.623869  0.660165  1
  Ni  Ni256  1  0.913783  0.755458  0.625987  1
  Ni  Ni257  1  0.068158  0.139194  0.674693  1
  Ni  Ni258  1  0.759961  0.370328  0.576270  1
  Ni  Ni259  1  0.291216  0.964467  0.679156  1
  Ni  Ni260  1  0.981044  0.195707  0.584194  1
  Ni  Ni261  1  0.136196  0.584392  0.630675  1
