# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72598529
_cell_length_b   16.59548047
_cell_length_c   50.53140938
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.04955841
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7069.8463742
_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  0.998132  0.489155  0.341285  1
  Zr  Zr2  1  0.093947  0.825284  0.288861  1
  Zr  Zr3  1  0.455271  0.249870  0.368034  1
  Zr  Zr4  1  0.557492  0.584099  0.310851  1
  Zr  Zr5  1  0.793554  0.345344  0.284060  1
  Zr  Zr6  1  0.676552  1.002159  0.338783  1
  Zr  Zr7  1  0.889130  0.079829  0.308297  1
  Zr  Zr8  1  0.784516  0.739936  0.368713  1
  Zr  Zr9  1  0.272262  0.114264  0.304199  1
  Zr  Zr10  1  0.176422  0.779236  0.358764  1
  Zr  Zr11  1  0.371007  0.288355  0.293870  1
  Zr  Zr12  1  0.274609  0.956757  0.348819  1
  Zr  Zr13  1  0.936022  0.299156  0.354218  1
  Zr  Zr14  1  0.039504  0.632991  0.296814  1
  Zr  Zr15  1  0.518928  0.435900  0.355508  1
  Zr  Zr16  1  0.607012  0.783431  0.299160  1
  Zr  Zr17  1  0.811657  0.806733  0.453381  1
  Zr  Zr18  1  0.902386  0.147829  0.397411  1
  Zr  Zr19  1  0.271777  0.568187  0.479381  1
  Zr  Zr20  1  0.363633  0.908831  0.423227  1
  Zr  Zr21  1  0.580869  0.657887  0.394776  1
  Zr  Zr22  1  0.489727  0.315693  0.451029  1
  Zr  Zr23  1  0.687054  0.401696  0.425568  1
  Zr  Zr24  1  0.593295  0.059945  0.481948  1
  Zr  Zr25  1  0.086137  0.440720  0.415416  1
  Zr  Zr26  1  0.993514  0.099825  0.471921  1
  Zr  Zr27  1  0.183250  0.616993  0.404474  1
  Zr  Zr28  1  0.088657  0.275015  0.461321  1
  Zr  Zr29  1  0.747746  0.620690  0.465858  1
  Zr  Zr30  1  0.839987  0.960917  0.410039  1
  Zr  Zr31  1  0.337062  0.754011  0.466901  1
  Zr  Zr32  1  0.426134  0.094514  0.411265  1
  Zr  Zr33  1  0.626244  0.125061  0.566376  1
  Zr  Zr34  1  0.720611  0.465028  0.509583  1
  Zr  Zr35  1  0.090722  0.884946  0.591940  1
  Zr  Zr36  1  0.178817  0.227098  0.536030  1
  Zr  Zr37  1  0.396536  0.974094  0.507541  1
  Zr  Zr38  1  0.304956  0.631873  0.563309  1
  Zr  Zr39  1  0.502966  0.717573  0.537797  1
  Zr  Zr40  1  0.409058  0.376784  0.594356  1
  Zr  Zr41  1  0.903460  0.758328  0.527864  1
  Zr  Zr42  1  0.807797  0.417565  0.584569  1
  Zr  Zr43  1  0.997047  0.934254  0.517511  1
  Zr  Zr44  1  0.906611  0.593218  0.573480  1
  Zr  Zr45  1  0.565333  0.939207  0.577966  1
  Zr  Zr46  1  0.652899  0.280006  0.522376  1
  Zr  Zr47  1  0.149549  0.073083  0.579602  1
  Zr  Zr48  1  0.245287  0.412246  0.523191  1
  Zr  Zr49  1  0.434781  0.450202  0.678072  1
  Zr  Zr50  1  0.536779  0.783778  0.620951  1
  Zr  Zr51  1  0.897239  0.212026  0.700330  1
  Zr  Zr52  1  0.994243  0.545055  0.647907  1
  Zr  Zr53  1  0.205465  0.294409  0.620371  1
  Zr  Zr54  1  0.075823  0.960573  0.683182  1
  Zr  Zr55  1  0.305229  0.028123  0.650491  1
  Zr  Zr56  1  0.200245  0.691333  0.704541  1
  Zr  Zr57  1  0.716414  0.077514  0.640480  1
  Zr  Zr58  1  0.619770  0.744809  0.695296  1
  Zr  Zr59  1  0.812392  0.255690  0.630393  1
  Zr  Zr60  1  0.713679  0.920992  0.684814  1
  Zr  Zr61  1  0.388872  0.246840  0.689569  1
  Zr  Zr62  1  0.474235  0.597528  0.633472  1
  Zr  Zr63  1  0.954604  0.401234  0.692459  1
  Zr  Zr64  1  0.057418  0.734841  0.634832  1
  Ni  Ni65  1  0.354036  0.874049  0.270199  1
  Ni  Ni66  1  0.279945  0.534164  0.325507  1
  Ni  Ni67  1  0.172466  0.974634  0.297991  1
  Ni  Ni68  1  0.071343  0.641505  0.350933  1
  Ni  Ni69  1  0.490921  0.425325  0.300151  1
  Ni  Ni70  1  0.385974  0.092283  0.355480  1
  Ni  Ni71  1  0.699283  0.303993  0.386491  1
  Ni  Ni72  1  0.795950  0.646123  0.327268  1
  Ni  Ni73  1  0.757471  0.429300  0.326872  1
  Ni  Ni74  1  0.859970  0.767003  0.273349  1
  Ni  Ni75  1  0.107836  0.244924  0.276884  1
  Ni  Ni76  1  0.008056  0.915723  0.329604  1
  Ni  Ni77  1  0.531263  0.165706  0.325363  1
  Ni  Ni78  1  0.441122  0.822282  0.379691  1
  Ni  Ni79  1  0.050850  0.355108  0.310073  1
  Ni  Ni80  1  0.948027  0.019326  0.364423  1
  Ni  Ni81  1  0.085170  0.119594  0.345909  1
  Ni  Ni82  1  0.185925  0.455361  0.289908  1
  Ni  Ni83  1  0.368952  0.614731  0.360826  1
  Ni  Ni84  1  0.462729  0.955283  0.305414  1
  Ni  Ni85  1  0.679020  0.207571  0.288323  1
  Ni  Ni86  1  0.596396  0.859632  0.342188  1
  Ni  Ni87  1  0.942282  0.222517  0.311944  1
  Ni  Ni88  1  0.854871  0.881702  0.366609  1
  Ni  Ni89  1  0.641937  0.298009  0.326490  1
  Ni  Ni90  1  0.740153  0.642864  0.275920  1
  Ni  Ni91  1  0.819010  0.440227  0.382619  1
  Ni  Ni92  1  0.902648  0.783636  0.325275  1
  Ni  Ni93  1  0.776709  0.171973  0.349042  1
  Ni  Ni94  1  0.874785  0.501219  0.292639  1
  Ni  Ni95  1  0.680604  0.559921  0.357970  1
  Ni  Ni96  1  0.771425  0.909119  0.298847  1
  Ni  Ni97  1  0.291027  0.380799  0.333748  1
  Ni  Ni98  1  0.386531  0.716940  0.277966  1
  Ni  Ni99  1  0.166643  0.352584  0.373737  1
  Ni  Ni100  1  0.265836  0.688620  0.317366  1
  Ni  Ni101  1  0.234080  0.494810  0.372578  1
  Ni  Ni102  1  0.331524  0.832396  0.317314  1
  Ni  Ni103  1  0.221835  0.238268  0.334628  1
  Ni  Ni104  1  0.329474  0.570466  0.279551  1
  Ni  Ni105  1  0.588651  0.070441  0.288473  1
  Ni  Ni106  1  0.507835  0.718272  0.342845  1
  Ni  Ni107  1  0.182761  0.196954  0.382047  1
  Ni  Ni108  1  0.088711  0.857827  0.438437  1
  Ni  Ni109  1  0.976697  0.303549  0.408949  1
  Ni  Ni110  1  0.884499  0.962887  0.465153  1
  Ni  Ni111  1  0.291212  0.753667  0.411706  1
  Ni  Ni112  1  0.199362  0.411663  0.467751  1
  Ni  Ni113  1  0.515960  0.621674  0.498704  1
  Ni  Ni114  1  0.606954  0.962921  0.442680  1
  Ni  Ni115  1  0.568430  0.753024  0.434229  1
  Ni  Ni116  1  0.658095  0.092883  0.380408  1
  Ni  Ni117  1  0.922822  0.574662  0.384546  1
  Ni  Ni118  1  0.827704  0.233489  0.440505  1
  Ni  Ni119  1  0.347762  0.483336  0.436372  1
  Ni  Ni120  1  0.254886  0.141444  0.492915  1
  Ni  Ni121  1  0.859513  0.676897  0.420968  1
  Ni  Ni122  1  0.767646  0.334991  0.477354  1
  Ni  Ni123  1  0.901665  0.440173  0.458661  1
  Ni  Ni124  1  0.994184  0.781675  0.402465  1
  Ni  Ni125  1  0.181926  0.934630  0.474358  1
  Ni  Ni126  1  0.273126  0.275635  0.418204  1
  Ni  Ni127  1  0.501637  0.518084  0.398296  1
  Ni  Ni128  1  0.406869  0.176076  0.454700  1
  Ni  Ni129  1  0.767725  0.540576  0.422172  1
  Ni  Ni130  1  0.674376  0.199223  0.478553  1
  Ni  Ni131  1  0.449737  0.617335  0.437196  1
  Ni  Ni132  1  0.541806  0.957568  0.381239  1
  Ni  Ni133  1  0.636070  0.757728  0.495515  1
  Ni  Ni134  1  0.727283  0.098537  0.439368  1
  Ni  Ni135  1  0.590697  0.500567  0.462454  1
  Ni  Ni136  1  0.683336  0.839812  0.405819  1
  Ni  Ni137  1  0.492448  0.874919  0.470656  1
  Ni  Ni138  1  0.583942  0.216092  0.415077  1
  Ni  Ni139  1  0.102487  0.703299  0.446519  1
  Ni  Ni140  1  0.191384  0.044027  0.390486  1
  Ni  Ni141  1  0.981586  0.671405  0.486207  1
  Ni  Ni142  1  0.073091  0.012417  0.430286  1
  Ni  Ni143  1  0.048836  0.813802  0.485143  1
  Ni  Ni144  1  0.138755  0.154881  0.428955  1
  Ni  Ni145  1  0.035295  0.561245  0.447510  1
  Ni  Ni146  1  0.125641  0.901609  0.390995  1
  Ni  Ni147  1  0.406948  0.381442  0.399943  1
  Ni  Ni148  1  0.314873  0.039777  0.455895  1
  Ni  Ni149  1  0.996353  0.516492  0.494474  1
  Ni  Ni150  1  0.901241  0.176303  0.550909  1
  Ni  Ni151  1  0.793125  0.621552  0.521199  1
  Ni  Ni152  1  0.698863  0.280918  0.577542  1
  Ni  Ni153  1  0.105805  0.071236  0.524284  1
  Ni  Ni154  1  0.015651  0.730387  0.580265  1
  Ni  Ni155  1  0.332846  0.939924  0.608285  1
  Ni  Ni156  1  0.422041  0.280280  0.555380  1
  Ni  Ni157  1  0.383045  0.071021  0.546826  1
  Ni  Ni158  1  0.476359  0.411738  0.490142  1
  Ni  Ni159  1  0.735679  0.892702  0.496462  1
  Ni  Ni160  1  0.644559  0.550136  0.552535  1
  Ni  Ni161  1  0.164185  0.799821  0.548486  1
  Ni  Ni162  1  0.067975  0.460144  0.604472  1
  Ni  Ni163  1  0.675284  0.994561  0.533529  1
  Ni  Ni164  1  0.586305  0.651718  0.588927  1
  Ni  Ni165  1  0.718980  0.757940  0.570825  1
  Ni  Ni166  1  0.808295  0.099443  0.515011  1
  Ni  Ni167  1  0.995768  0.252564  0.586819  1
  Ni  Ni168  1  0.090741  0.593093  0.530204  1
  Ni  Ni169  1  0.316543  0.834813  0.510779  1
  Ni  Ni170  1  0.223852  0.493218  0.566732  1
  Ni  Ni171  1  0.584914  0.857589  0.534429  1
  Ni  Ni172  1  0.489408  0.515996  0.590664  1
  Ni  Ni173  1  0.262589  0.935540  0.550237  1
  Ni  Ni174  1  0.356322  0.275644  0.493491  1
  Ni  Ni175  1  0.446433  0.075778  0.608476  1
  Ni  Ni176  1  0.541456  0.416541  0.551928  1
  Ni  Ni177  1  0.408746  0.816792  0.573747  1
  Ni  Ni178  1  0.497928  0.159061  0.518834  1
  Ni  Ni179  1  0.306177  0.193479  0.583753  1
  Ni  Ni180  1  0.401759  0.532826  0.526451  1
  Ni  Ni181  1  0.917509  0.021664  0.559113  1
  Ni  Ni182  1  0.010667  0.361946  0.502882  1
  Ni  Ni183  1  0.799975  0.989530  0.598724  1
  Ni  Ni184  1  0.888128  0.330733  0.542645  1
  Ni  Ni185  1  0.862993  0.133253  0.598272  1
  Ni  Ni186  1  0.957192  0.472265  0.541449  1
  Ni  Ni187  1  0.853145  0.878860  0.560257  1
  Ni  Ni188  1  0.941440  0.220264  0.504215  1
  Ni  Ni189  1  0.224574  0.698315  0.511658  1
  Ni  Ni190  1  0.131013  0.357180  0.568208  1
  Ni  Ni191  1  0.808630  0.836342  0.606918  1
  Ni  Ni192  1  0.713410  0.499825  0.663542  1
  Ni  Ni193  1  0.603414  0.942115  0.633598  1
  Ni  Ni194  1  0.502252  0.607882  0.688850  1
  Ni  Ni195  1  0.920915  0.392601  0.638137  1
  Ni  Ni196  1  0.790659  0.071771  0.694250  1
  Ni  Ni197  1  0.135282  0.266673  0.715524  1
  Ni  Ni198  1  0.234844  0.605237  0.662197  1
  Ni  Ni199  1  0.197128  0.386641  0.661934  1
  Ni  Ni200  1  0.294001  0.728766  0.602494  1
  Ni  Ni201  1  0.547960  0.212146  0.609621  1
  Ni  Ni202  1  0.464400  0.868077  0.663614  1
  Ni  Ni203  1  0.974504  0.118616  0.660428  1
  Ni  Ni204  1  0.883992  0.792812  0.711748  1
  Ni  Ni205  1  0.482743  0.316384  0.646332  1
  Ni  Ni206  1  0.395148  0.964602  0.700364  1
  Ni  Ni207  1  0.518545  0.075534  0.681117  1
  Ni  Ni208  1  0.622229  0.419728  0.628173  1
  Ni  Ni209  1  0.807415  0.578236  0.699175  1
  Ni  Ni210  1  0.904825  0.913807  0.642866  1
  Ni  Ni211  1  0.130030  0.152733  0.623165  1
  Ni  Ni212  1  0.046895  0.812521  0.676686  1
  Ni  Ni213  1  0.388193  0.174731  0.646439  1
  Ni  Ni214  1  0.305703  0.831520  0.698448  1
  Ni  Ni215  1  0.086987  0.250715  0.663903  1
  Ni  Ni216  1  0.173172  0.593603  0.606348  1
  Ni  Ni217  1  0.257905  0.389135  0.712772  1
  Ni  Ni218  1  0.353089  0.734788  0.661821  1
  Ni  Ni219  1  0.215951  0.124804  0.689976  1
  Ni  Ni220  1  0.309965  0.474371  0.631225  1
  Ni  Ni221  1  0.119317  0.532586  0.696486  1
  Ni  Ni222  1  0.212167  0.867320  0.642271  1
  Ni  Ni223  1  0.727331  0.346360  0.671630  1
  Ni  Ni224  1  0.825996  0.681161  0.615354  1
  Ni  Ni225  1  0.599881  0.320061  0.710447  1
  Ni  Ni226  1  0.700769  0.653506  0.655400  1
  Ni  Ni227  1  0.664213  0.463068  0.709482  1
  Ni  Ni228  1  0.770971  0.795373  0.654497  1
  Ni  Ni229  1  0.658025  0.203970  0.671372  1
  Ni  Ni230  1  0.758687  0.539533  0.616490  1
  Ni  Ni231  1  0.039471  0.015246  0.624687  1
  Ni  Ni232  1  0.941724  0.679127  0.679224  1
