# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.56762928
_cell_length_b   18.00430921
_cell_length_c   52.54788686
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.19874054
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6210.48759209
_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  0.640726  0.226768  0.339463  1
  Zr  Zr2  1  0.848267  0.606508  0.274090  1
  Zr  Zr3  1  0.276190  0.758443  0.335347  1
  Zr  Zr4  1  0.528736  0.145338  0.272181  1
  Zr  Zr5  1  0.639707  0.952075  0.327476  1
  Zr  Zr6  1  0.881078  0.328076  0.269695  1
  Zr  Zr7  1  0.281785  0.036729  0.345157  1
  Zr  Zr8  1  0.507710  0.414820  0.283474  1
  Zr  Zr9  1  0.440397  0.894448  0.269733  1
  Zr  Zr10  1  0.205622  0.506135  0.330037  1
  Zr  Zr11  1  0.933285  0.856737  0.282487  1
  Zr  Zr12  1  0.708756  0.481262  0.344787  1
  Zr  Zr13  1  0.346843  0.646778  0.265180  1
  Zr  Zr14  1  0.140687  0.263894  0.327196  1
  Zr  Zr15  1  0.033102  0.099763  0.281396  1
  Zr  Zr16  1  0.779441  0.722900  0.347943  1
  Zr  Zr17  1  0.168710  0.463549  0.464874  1
  Zr  Zr18  1  0.400130  0.845452  0.401399  1
  Zr  Zr19  1  0.813403  0.995527  0.460949  1
  Zr  Zr20  1  0.049128  0.377695  0.398894  1
  Zr  Zr21  1  0.172410  0.189319  0.454204  1
  Zr  Zr22  1  0.404562  0.572406  0.391057  1
  Zr  Zr23  1  0.809700  0.268252  0.472198  1
  Zr  Zr24  1  0.040912  0.651211  0.408680  1
  Zr  Zr25  1  0.975446  0.124178  0.391527  1
  Zr  Zr26  1  0.739533  0.743134  0.455272  1
  Zr  Zr27  1  0.476444  0.097968  0.407147  1
  Zr  Zr28  1  0.241176  0.716999  0.470235  1
  Zr  Zr29  1  0.898817  0.879898  0.388690  1
  Zr  Zr30  1  0.666024  0.497251  0.452011  1
  Zr  Zr31  1  0.552469  0.343424  0.411539  1
  Zr  Zr32  1  0.316378  0.961792  0.473831  1
  Zr  Zr33  1  0.698499  0.699929  0.589991  1
  Zr  Zr34  1  0.933977  0.081865  0.527882  1
  Zr  Zr35  1  0.346690  0.231870  0.587370  1
  Zr  Zr36  1  0.578933  0.614036  0.523919  1
  Zr  Zr37  1  0.706198  0.426371  0.580018  1
  Zr  Zr38  1  0.937902  0.809220  0.516679  1
  Zr  Zr39  1  0.342537  0.505325  0.597681  1
  Zr  Zr40  1  0.575103  0.888043  0.534647  1
  Zr  Zr41  1  0.506287  0.360538  0.518574  1
  Zr  Zr42  1  0.271274  0.979455  0.581714  1
  Zr  Zr43  1  0.007715  0.334261  0.533489  1
  Zr  Zr44  1  0.772655  0.953460  0.597356  1
  Zr  Zr45  1  0.431033  0.115559  0.515000  1
  Zr  Zr46  1  0.195201  0.734237  0.577345  1
  Zr  Zr47  1  0.081617  0.580289  0.536784  1
  Zr  Zr48  1  0.848159  0.197534  0.600165  1
  Zr  Zr49  1  0.219911  0.932643  0.717031  1
  Zr  Zr50  1  0.469649  0.319781  0.653137  1
  Zr  Zr51  1  0.897208  0.470276  0.714703  1
  Zr  Zr52  1  0.107786  0.850679  0.649446  1
  Zr  Zr53  1  0.238937  0.662409  0.705340  1
  Zr  Zr54  1  0.468198  0.041083  0.644065  1
  Zr  Zr55  1  0.866270  0.748528  0.719241  1
  Zr  Zr56  1  0.108534  0.125749  0.661113  1
  Zr  Zr57  1  0.037942  0.596211  0.644024  1
  Zr  Zr58  1  0.811652  0.219794  0.706464  1
  Zr  Zr59  1  0.541035  0.570997  0.658761  1
  Zr  Zr60  1  0.314494  0.184436  0.718892  1
  Zr  Zr61  1  0.966427  0.354524  0.640777  1
  Zr  Zr62  1  0.718122  0.977037  0.707382  1
  Zr  Zr63  1  0.607659  0.813726  0.661788  1
  Zr  Zr64  1  0.398673  0.430488  0.723675  1
  Ni  Ni65  1  0.566695  0.683347  0.304584  1
  Ni  Ni66  1  0.345880  0.302849  0.369547  1
  Ni  Ni67  1  0.305749  0.167452  0.363586  1
  Ni  Ni68  1  0.528604  0.548683  0.300294  1
  Ni  Ni69  1  0.608551  0.816931  0.309912  1
  Ni  Ni70  1  0.852571  0.201026  0.249791  1
  Ni  Ni71  1  0.330171  0.150653  0.313705  1
  Ni  Ni72  1  0.532359  0.523132  0.252534  1
  Ni  Ni73  1  0.583940  0.839486  0.357849  1
  Ni  Ni74  1  0.842993  0.211614  0.297567  1
  Ni  Ni75  1  0.647337  0.092611  0.360659  1
  Ni  Ni76  1  0.868448  0.473930  0.298620  1
  Ni  Ni77  1  0.266495  0.894215  0.312266  1
  Ni  Ni78  1  0.516861  0.284273  0.251264  1
  Ni  Ni79  1  0.020851  0.730476  0.255797  1
  Ni  Ni80  1  0.798726  0.348835  0.318085  1
  Ni  Ni81  1  0.649788  0.754431  0.266637  1
  Ni  Ni82  1  0.434416  0.373413  0.331580  1
  Ni  Ni83  1  0.720474  0.998544  0.276734  1
  Ni  Ni84  1  0.483895  0.613126  0.342600  1
  Ni  Ni85  1  0.995361  0.990633  0.312485  1
  Ni  Ni86  1  0.219028  0.384915  0.252671  1
  Ni  Ni87  1  0.921315  0.994560  0.359999  1
  Ni  Ni88  1  0.153944  0.379029  0.298962  1
  Ni  Ni89  1  0.941188  0.855965  0.334950  1
  Ni  Ni90  1  0.191096  0.243504  0.274676  1
  Ni  Ni91  1  0.977981  0.127895  0.337155  1
  Ni  Ni92  1  0.188634  0.511398  0.277796  1
  Ni  Ni93  1  0.241891  0.899410  0.358508  1
  Ni  Ni94  1  0.497240  0.277950  0.296917  1
  Ni  Ni95  1  0.679803  0.088500  0.313651  1
  Ni  Ni96  1  0.881536  0.464301  0.253274  1
  Ni  Ni97  1  0.934391  0.728720  0.302079  1
  Ni  Ni98  1  0.713584  0.352052  0.366693  1
  Ni  Ni99  1  0.385007  0.030935  0.249548  1
  Ni  Ni100  1  0.195132  0.633992  0.307304  1
  Ni  Ni101  1  0.096932  0.967151  0.266195  1
  Ni  Ni102  1  0.853123  0.599038  0.324359  1
  Ni  Ni103  1  0.285165  0.770708  0.286759  1
  Ni  Ni104  1  0.060880  0.387430  0.349509  1
  Ni  Ni105  1  0.364572  0.020779  0.295522  1
  Ni  Ni106  1  0.119287  0.635346  0.356588  1
  Ni  Ni107  1  0.107777  0.921001  0.431171  1
  Ni  Ni108  1  0.873844  0.538803  0.494393  1
  Ni  Ni109  1  0.834915  0.403103  0.490399  1
  Ni  Ni110  1  0.067863  0.785372  0.426914  1
  Ni  Ni111  1  0.147654  0.056210  0.435302  1
  Ni  Ni112  1  0.382307  0.438217  0.373242  1
  Ni  Ni113  1  0.867838  0.380167  0.443023  1
  Ni  Ni114  1  0.094141  0.762568  0.379129  1
  Ni  Ni115  1  0.115828  0.077440  0.483512  1
  Ni  Ni116  1  0.350967  0.460124  0.420761  1
  Ni  Ni117  1  0.173306  0.329189  0.487381  1
  Ni  Ni118  1  0.406243  0.711387  0.424225  1
  Ni  Ni119  1  0.809157  0.129149  0.438399  1
  Ni  Ni120  1  0.041360  0.511321  0.376174  1
  Ni  Ni121  1  0.560135  0.967981  0.379385  1
  Ni  Ni122  1  0.324562  0.586243  0.443058  1
  Ni  Ni123  1  0.197642  0.991688  0.393387  1
  Ni  Ni124  1  0.962481  0.610063  0.456881  1
  Ni  Ni125  1  0.254065  0.229978  0.406248  1
  Ni  Ni126  1  0.019101  0.849815  0.468715  1
  Ni  Ni127  1  0.533053  0.227169  0.439223  1
  Ni  Ni128  1  0.763173  0.609206  0.376143  1
  Ni  Ni129  1  0.449227  0.230981  0.486982  1
  Ni  Ni130  1  0.682474  0.612985  0.423964  1
  Ni  Ni131  1  0.477123  0.094934  0.460623  1
  Ni  Ni132  1  0.711171  0.477341  0.398018  1
  Ni  Ni133  1  0.505584  0.363756  0.465485  1
  Ni  Ni134  1  0.735672  0.746152  0.402038  1
  Ni  Ni135  1  0.772290  0.133532  0.485206  1
  Ni  Ni136  1  0.006928  0.516590  0.422427  1
  Ni  Ni137  1  0.211419  0.323809  0.441018  1
  Ni  Ni138  1  0.438474  0.706350  0.377802  1
  Ni  Ni139  1  0.477354  0.969402  0.428775  1
  Ni  Ni140  1  0.243118  0.587891  0.492080  1
  Ni  Ni141  1  0.974716  0.254868  0.371600  1
  Ni  Ni142  1  0.738248  0.871817  0.433424  1
  Ni  Ni143  1  0.626529  0.217344  0.388968  1
  Ni  Ni144  1  0.390530  0.836524  0.451220  1
  Ni  Ni145  1  0.825888  1.005194  0.410938  1
  Ni  Ni146  1  0.590733  0.623364  0.474243  1
  Ni  Ni147  1  0.892209  0.254368  0.420204  1
  Ni  Ni148  1  0.656515  0.873631  0.482626  1
  Ni  Ni149  1  0.639352  0.156308  0.557690  1
  Ni  Ni150  1  0.402170  0.774833  0.619385  1
  Ni  Ni151  1  0.365006  0.639367  0.615576  1
  Ni  Ni152  1  0.599858  0.021145  0.553560  1
  Ni  Ni153  1  0.679217  0.291967  0.561841  1
  Ni  Ni154  1  0.912677  0.674495  0.498407  1
  Ni  Ni155  1  0.396580  0.617669  0.568018  1
  Ni  Ni156  1  0.631585  0.999891  0.505330  1
  Ni  Ni157  1  0.652041  0.315269  0.609445  1
  Ni  Ni158  1  0.879966  0.697256  0.545863  1
  Ni  Ni159  1  0.705639  0.566277  0.612614  1
  Ni  Ni160  1  0.938427  0.948336  0.550454  1
  Ni  Ni161  1  0.340988  0.366072  0.564514  1
  Ni  Ni162  1  0.574215  0.748297  0.501439  1
  Ni  Ni163  1  0.090851  0.203724  0.506193  1
  Ni  Ni164  1  0.855563  0.823200  0.568685  1
  Ni  Ni165  1  0.728171  0.227498  0.520122  1
  Ni  Ni166  1  0.493778  0.847609  0.582633  1
  Ni  Ni167  1  0.785031  0.467532  0.531893  1
  Ni  Ni168  1  0.550076  0.085520  0.595536  1
  Ni  Ni169  1  0.064934  0.464431  0.564797  1
  Ni  Ni170  1  0.298168  0.846482  0.501863  1
  Ni  Ni171  1  0.983424  0.468425  0.612581  1
  Ni  Ni172  1  0.214659  0.850350  0.549648  1
  Ni  Ni173  1  0.011108  0.331056  0.586676  1
  Ni  Ni174  1  0.242058  0.713799  0.523368  1
  Ni  Ni175  1  0.036145  0.600384  0.590778  1
  Ni  Ni176  1  0.270353  0.982460  0.528227  1
  Ni  Ni177  1  0.307369  0.371385  0.610852  1
  Ni  Ni178  1  0.536361  0.753612  0.547846  1
  Ni  Ni179  1  0.740602  0.561070  0.566359  1
  Ni  Ni180  1  0.975154  0.943883  0.503626  1
  Ni  Ni181  1  0.008932  0.205534  0.555390  1
  Ni  Ni182  1  0.773135  0.822804  0.617323  1
  Ni  Ni183  1  0.504447  0.489690  0.496710  1
  Ni  Ni184  1  0.270099  0.107892  0.560075  1
  Ni  Ni185  1  0.156802  0.454146  0.514547  1
  Ni  Ni186  1  0.921645  0.072318  0.577925  1
  Ni  Ni187  1  0.356689  0.240851  0.537587  1
  Ni  Ni188  1  0.121397  0.860253  0.599955  1
  Ni  Ni189  1  0.422916  0.491422  0.545716  1
  Ni  Ni190  1  0.187556  0.109375  0.609437  1
  Ni  Ni191  1  0.178619  0.394112  0.684105  1
  Ni  Ni192  1  0.958104  0.012001  0.748301  1
  Ni  Ni193  1  0.895015  0.875948  0.740168  1
  Ni  Ni194  1  0.136774  0.260314  0.678949  1
  Ni  Ni195  1  0.217427  0.528526  0.688500  1
  Ni  Ni196  1  0.442562  0.910310  0.625283  1
  Ni  Ni197  1  0.907864  0.865069  0.691672  1
  Ni  Ni198  1  0.162755  0.238288  0.630912  1
  Ni  Ni199  1  0.213360  0.554116  0.736229  1
  Ni  Ni200  1  0.418126  0.927118  0.675068  1
  Ni  Ni201  1  0.230951  0.792459  0.737532  1
  Ni  Ni202  1  0.478254  0.184621  0.676044  1
  Ni  Ni203  1  0.878178  0.603249  0.690233  1
  Ni  Ni204  1  0.101816  0.984983  0.628219  1
  Ni  Ni205  1  0.627203  0.442317  0.632116  1
  Ni  Ni206  1  0.388147  0.057888  0.693992  1
  Ni  Ni207  1  0.262187  0.464491  0.646118  1
  Ni  Ni208  1  0.030881  0.082966  0.710605  1
  Ni  Ni209  1  0.313255  0.703838  0.657216  1
  Ni  Ni210  1  0.096581  0.322826  0.722110  1
  Ni  Ni211  1  0.593214  0.698077  0.689844  1
  Ni  Ni212  1  0.826174  0.082988  0.629094  1
  Ni  Ni213  1  0.527997  0.691936  0.736127  1
  Ni  Ni214  1  0.750146  0.088751  0.677035  1
  Ni  Ni215  1  0.557518  0.565566  0.710972  1
  Ni  Ni216  1  0.771663  0.949008  0.651611  1
  Ni  Ni217  1  0.558000  0.833206  0.714276  1
  Ni  Ni218  1  0.805226  0.221630  0.653922  1
  Ni  Ni219  1  0.864318  0.612352  0.735587  1
  Ni  Ni220  1  0.069755  0.989549  0.675209  1
  Ni  Ni221  1  0.253092  0.798806  0.691858  1
  Ni  Ni222  1  0.505380  0.178297  0.630107  1
  Ni  Ni223  1  0.550763  0.443150  0.681484  1
  Ni  Ni224  1  0.339421  0.050046  0.740134  1
  Ni  Ni225  1  0.034085  0.725600  0.622193  1
  Ni  Ni226  1  0.812034  0.348218  0.686626  1
  Ni  Ni227  1  0.686534  0.690031  0.639378  1
  Ni  Ni228  1  0.461214  0.308010  0.701604  1
  Ni  Ni229  1  0.892720  0.478247  0.664428  1
  Ni  Ni230  1  0.664782  0.103570  0.726129  1
  Ni  Ni231  1  0.949115  0.728588  0.670806  1
  Ni  Ni232  1  0.723743  0.345742  0.732920  1
