# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47853694
_cell_length_b   25.36049007
_cell_length_c   50.28162121
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.50037354
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8258.38413205
_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  0.851665  0.729677  0.368883  1
  Zr  Zr2  1  0.007742  0.114432  0.416121  1
  Zr  Zr3  1  0.687896  0.341294  0.320239  1
  Zr  Zr4  1  0.771030  0.434270  0.388713  1
  Zr  Zr5  1  0.458835  0.661849  0.296523  1
  Zr  Zr6  1  0.627443  0.049308  0.345359  1
  Zr  Zr7  1  0.398083  0.501895  0.327449  1
  Zr  Zr8  1  0.564922  0.885753  0.374138  1
  Zr  Zr9  1  0.723772  0.272174  0.421231  1
  Zr  Zr10  1  0.747721  0.516244  0.286580  1
  Zr  Zr11  1  0.905721  0.891311  0.331674  1
  Zr  Zr12  1  0.071220  0.278184  0.380702  1
  Zr  Zr13  1  0.558190  0.601469  0.378797  1
  Zr  Zr14  1  0.717362  0.986830  0.425789  1
  Zr  Zr15  1  0.397627  0.215934  0.330532  1
  Zr  Zr16  1  0.059459  0.563131  0.379113  1
  Zr  Zr17  1  0.747811  0.792917  0.287218  1
  Zr  Zr18  1  0.905139  0.177406  0.332600  1
  Zr  Zr19  1  0.174177  0.381219  0.316403  1
  Zr  Zr20  1  0.340582  0.767858  0.364374  1
  Zr  Zr21  1  0.492755  0.153868  0.413169  1
  Zr  Zr22  1  0.963598  0.630716  0.298421  1
  Zr  Zr23  1  0.133527  0.010977  0.343844  1
  Zr  Zr24  1  0.281609  0.396769  0.391641  1
  Zr  Zr25  1  0.323057  0.886128  0.511589  1
  Zr  Zr26  1  0.478960  0.272521  0.558704  1
  Zr  Zr27  1  0.162998  0.500629  0.463686  1
  Zr  Zr28  1  0.252491  0.593676  0.531678  1
  Zr  Zr29  1  0.935180  0.821671  0.436601  1
  Zr  Zr30  1  0.090951  0.207953  0.483724  1
  Zr  Zr31  1  0.878153  0.657962  0.469816  1
  Zr  Zr32  1  0.034909  0.044541  0.517632  1
  Zr  Zr33  1  0.190832  0.430076  0.565377  1
  Zr  Zr34  1  0.224009  0.664079  0.429922  1
  Zr  Zr35  1  0.379374  0.049651  0.477568  1
  Zr  Zr36  1  0.537031  0.436283  0.525537  1
  Zr  Zr37  1  0.037403  0.759335  0.520995  1
  Zr  Zr38  1  0.193298  0.145504  0.568692  1
  Zr  Zr39  1  0.874854  0.373584  0.473014  1
  Zr  Zr40  1  0.540277  0.720602  0.522341  1
  Zr  Zr41  1  0.220416  0.948720  0.426611  1
  Zr  Zr42  1  0.377239  0.334843  0.474286  1
  Zr  Zr43  1  0.652012  0.538934  0.459965  1
  Zr  Zr44  1  0.811231  0.925048  0.508277  1
  Zr  Zr45  1  0.967957  0.310989  0.555134  1
  Zr  Zr46  1  0.446356  0.783189  0.440163  1
  Zr  Zr47  1  0.602627  0.169147  0.486993  1
  Zr  Zr48  1  0.763689  0.555247  0.535339  1
  Zr  Zr49  1  0.786329  0.044499  0.649970  1
  Zr  Zr50  1  0.955677  0.432508  0.698758  1
  Zr  Zr51  1  0.643727  0.659880  0.606563  1
  Zr  Zr52  1  0.730736  0.752878  0.673874  1
  Zr  Zr53  1  0.405676  0.979910  0.579031  1
  Zr  Zr54  1  0.562784  0.364480  0.626420  1
  Zr  Zr55  1  0.343439  0.816556  0.614988  1
  Zr  Zr56  1  0.508288  0.202776  0.663640  1
  Zr  Zr57  1  0.664390  0.578608  0.708779  1
  Zr  Zr58  1  0.690234  0.821963  0.574020  1
  Zr  Zr59  1  0.849075  0.208347  0.621176  1
  Zr  Zr60  1  0.016218  0.592498  0.668133  1
  Zr  Zr61  1  0.507364  0.916433  0.662398  1
  Zr  Zr62  1  0.666448  0.301274  0.708071  1
  Zr  Zr63  1  0.356065  0.530996  0.616208  1
  Zr  Zr64  1  0.017257  0.877862  0.664611  1
  Zr  Zr65  1  0.696282  0.107391  0.569500  1
  Zr  Zr66  1  0.856711  0.492730  0.616524  1
  Zr  Zr67  1  0.133844  0.697681  0.603983  1
  Zr  Zr68  1  0.280164  0.082997  0.651479  1
  Zr  Zr69  1  0.451384  0.463486  0.696837  1
  Zr  Zr70  1  0.920538  0.940428  0.582033  1
  Zr  Zr71  1  0.073648  0.326368  0.630947  1
  Zr  Zr72  1  0.238988  0.711883  0.677601  1
  Ni  Ni73  1  0.990349  0.307953  0.281282  1
  Ni  Ni74  1  0.155295  0.697866  0.330043  1
  Ni  Ni75  1  0.312195  0.082017  0.377961  1
  Ni  Ni76  1  0.208497  0.665300  0.376480  1
  Ni  Ni77  1  0.364049  0.049842  0.424237  1
  Ni  Ni78  1  0.042864  0.280387  0.327079  1
  Ni  Ni79  1  0.410228  0.499790  0.380223  1
  Ni  Ni80  1  0.094446  0.729822  0.285065  1
  Ni  Ni81  1  0.259067  0.114181  0.331089  1
  Ni  Ni82  1  0.124269  0.751202  0.407403  1
  Ni  Ni83  1  0.787962  0.980677  0.310016  1
  Ni  Ni84  1  0.952901  0.364565  0.358117  1
  Ni  Ni85  1  0.499498  0.413926  0.348734  1
  Ni  Ni86  1  0.661872  0.800148  0.398118  1
  Ni  Ni87  1  0.408398  0.028969  0.303950  1
  Ni  Ni88  1  0.878481  0.648740  0.401738  1
  Ni  Ni89  1  0.554585  0.879598  0.305503  1
  Ni  Ni90  1  0.720049  0.261549  0.353528  1
  Ni  Ni91  1  0.742773  0.514264  0.356007  1
  Ni  Ni92  1  0.907122  0.901264  0.403696  1
  Ni  Ni93  1  0.593795  0.125309  0.308541  1
  Ni  Ni94  1  0.511480  0.423971  0.294665  1
  Ni  Ni95  1  0.669092  0.805806  0.339738  1
  Ni  Ni96  1  0.826753  0.189834  0.388082  1
  Ni  Ni97  1  0.343769  0.560973  0.420286  1
  Ni  Ni98  1  0.032221  0.789618  0.324988  1
  Ni  Ni99  1  0.190138  0.174720  0.372653  1
  Ni  Ni100  1  0.271982  0.604524  0.336558  1
  Ni  Ni101  1  0.435168  0.987818  0.384910  1
  Ni  Ni102  1  0.111600  0.215414  0.291038  1
  Ni  Ni103  1  1.001086  0.538692  0.324549  1
  Ni  Ni104  1  0.166040  0.921910  0.370288  1
  Ni  Ni105  1  0.323819  0.308509  0.419342  1
  Ni  Ni106  1  0.131661  0.471090  0.290567  1
  Ni  Ni107  1  0.299712  0.856036  0.336772  1
  Ni  Ni108  1  0.457754  0.240784  0.384889  1
  Ni  Ni109  1  0.099349  0.461452  0.356028  1
  Ni  Ni110  1  0.263641  0.847847  0.403822  1
  Ni  Ni111  1  0.940792  0.075800  0.310220  1
  Ni  Ni112  1  0.521192  0.702793  0.400581  1
  Ni  Ni113  1  0.208779  0.938293  0.306885  1
  Ni  Ni114  1  0.364183  0.315822  0.350022  1
  Ni  Ni115  1  0.829721  0.443868  0.324033  1
  Ni  Ni116  1  0.988090  0.829311  0.372483  1
  Ni  Ni117  1  0.147021  0.214638  0.420449  1
  Ni  Ni118  1  0.287527  0.563043  0.289441  1
  Ni  Ni119  1  0.483921  0.950342  0.337492  1
  Ni  Ni120  1  0.623692  0.336219  0.383110  1
  Ni  Ni121  1  0.093996  0.484686  0.411362  1
  Ni  Ni122  1  0.773899  0.716068  0.317394  1
  Ni  Ni123  1  0.941906  0.099234  0.363694  1
  Ni  Ni124  1  0.525202  0.679269  0.345996  1
  Ni  Ni125  1  0.683335  0.066769  0.395079  1
  Ni  Ni126  1  0.360006  0.293527  0.297042  1
  Ni  Ni127  1  0.894278  0.634901  0.348213  1
  Ni  Ni128  1  0.049082  0.019244  0.395321  1
  Ni  Ni129  1  0.727600  0.246037  0.300005  1
  Ni  Ni130  1  0.726427  0.530430  0.408775  1
  Ni  Ni131  1  0.404613  0.764652  0.311425  1
  Ni  Ni132  1  0.572197  0.146421  0.360888  1
  Ni  Ni133  1  0.645516  0.587192  0.324228  1
  Ni  Ni134  1  0.808097  0.970319  0.369579  1
  Ni  Ni135  1  0.957910  0.359362  0.416937  1
  Ni  Ni136  1  0.467288  0.467125  0.426066  1
  Ni  Ni137  1  0.629108  0.853963  0.474131  1
  Ni  Ni138  1  0.785008  0.240191  0.521142  1
  Ni  Ni139  1  0.685742  0.821633  0.520136  1
  Ni  Ni140  1  0.841479  0.207994  0.567394  1
  Ni  Ni141  1  0.524567  0.435802  0.472034  1
  Ni  Ni142  1  0.891187  0.658381  0.523347  1
  Ni  Ni143  1  0.572445  0.886214  0.427896  1
  Ni  Ni144  1  0.728499  0.272572  0.475132  1
  Ni  Ni145  1  0.592804  0.908184  0.550163  1
  Ni  Ni146  1  0.273931  0.136328  0.455032  1
  Ni  Ni147  1  0.436287  0.522501  0.502351  1
  Ni  Ni148  1  0.979420  0.571791  0.492987  1
  Ni  Ni149  1  0.139344  0.957833  0.540177  1
  Ni  Ni150  1  0.821248  0.185998  0.445113  1
  Ni  Ni151  1  0.354358  0.805946  0.544700  1
  Ni  Ni152  1  0.034042  0.033810  0.449333  1
  Ni  Ni153  1  0.194076  0.420325  0.496912  1
  Ni  Ni154  1  0.221259  0.673928  0.498424  1
  Ni  Ni155  1  0.379748  0.060500  0.545916  1
  Ni  Ni156  1  0.060214  0.288066  0.450637  1
  Ni  Ni157  1  0.979593  0.576262  0.434900  1
  Ni  Ni158  1  0.140351  0.961939  0.483221  1
  Ni  Ni159  1  0.296763  0.348302  0.530374  1
  Ni  Ni160  1  0.822770  0.720656  0.563204  1
  Ni  Ni161  1  0.502997  0.947283  0.467900  1
  Ni  Ni162  1  0.659777  0.333998  0.515114  1
  Ni  Ni163  1  0.754750  0.760199  0.480190  1
  Ni  Ni164  1  0.910933  0.146830  0.527402  1
  Ni  Ni165  1  0.592559  0.373582  0.432070  1
  Ni  Ni166  1  0.484793  0.694987  0.467303  1
  Ni  Ni167  1  0.641597  0.081345  0.514596  1
  Ni  Ni168  1  0.800554  0.467028  0.562446  1
  Ni  Ni169  1  0.614592  0.627211  0.432902  1
  Ni  Ni170  1  0.772332  0.012836  0.480652  1
  Ni  Ni171  1  0.930058  0.399217  0.527992  1
  Ni  Ni172  1  0.580315  0.619683  0.499658  1
  Ni  Ni173  1  0.736830  0.006083  0.547327  1
  Ni  Ni174  1  0.420734  0.233981  0.451518  1
  Ni  Ni175  1  0.993180  0.860117  0.543807  1
  Ni  Ni176  1  0.676944  0.088182  0.447870  1
  Ni  Ni177  1  0.835191  0.474559  0.495700  1
  Ni  Ni178  1  0.307661  0.599841  0.468350  1
  Ni  Ni179  1  0.467045  0.985914  0.516126  1
  Ni  Ni180  1  0.621316  0.371535  0.563707  1
  Ni  Ni181  1  0.793138  0.722630  0.431617  1
  Ni  Ni182  1  0.946405  0.108283  0.479136  1
  Ni  Ni183  1  0.108074  0.494406  0.526968  1
  Ni  Ni184  1  0.575146  0.643375  0.554638  1
  Ni  Ni185  1  0.255959  0.871021  0.459238  1
  Ni  Ni186  1  0.412165  0.257052  0.506576  1
  Ni  Ni187  1  1.002043  0.837143  0.488734  1
  Ni  Ni188  1  0.158085  0.223137  0.536048  1
  Ni  Ni189  1  0.840413  0.450720  0.440615  1
  Ni  Ni190  1  0.371488  0.790372  0.491335  1
  Ni  Ni191  1  0.527048  0.176772  0.538402  1
  Ni  Ni192  1  0.209350  0.404544  0.443412  1
  Ni  Ni193  1  0.206367  0.689818  0.552073  1
  Ni  Ni194  1  0.886876  0.917430  0.456889  1
  Ni  Ni195  1  0.042943  0.303720  0.503971  1
  Ni  Ni196  1  0.117655  0.745909  0.464886  1
  Ni  Ni197  1  0.273703  0.132231  0.512059  1
  Ni  Ni198  1  0.435699  0.517954  0.560423  1
  Ni  Ni199  1  0.948154  0.627187  0.569369  1
  Ni  Ni200  1  0.100997  0.012290  0.617266  1
  Ni  Ni201  1  0.259135  0.396430  0.665247  1
  Ni  Ni202  1  0.154313  0.979784  0.664159  1
  Ni  Ni203  1  0.319836  0.364446  0.710212  1
  Ni  Ni204  1  0.005135  0.594230  0.615161  1
  Ni  Ni205  1  0.374568  0.812363  0.669456  1
  Ni  Ni206  1  0.049413  0.044449  0.570976  1
  Ni  Ni207  1  0.206061  0.428968  0.618841  1
  Ni  Ni208  1  0.005072  0.064976  0.691351  1
  Ni  Ni209  1  0.752419  0.293984  0.597199  1
  Ni  Ni210  1  0.913773  0.679831  0.646399  1
  Ni  Ni211  1  0.463323  0.729868  0.636968  1
  Ni  Ni212  1  0.624938  0.113171  0.685210  1
  Ni  Ni213  1  0.290027  0.342972  0.587921  1
  Ni  Ni214  1  0.819876  0.968006  0.686686  1
  Ni  Ni215  1  0.506817  0.192858  0.591638  1
  Ni  Ni216  1  0.672819  0.580081  0.639362  1
  Ni  Ni217  1  0.693883  0.832814  0.641753  1
  Ni  Ni218  1  0.859602  0.214618  0.689764  1
  Ni  Ni219  1  0.536351  0.445432  0.593576  1
  Ni  Ni220  1  0.457971  0.734886  0.578606  1
  Ni  Ni221  1  0.605747  0.123649  0.625775  1
  Ni  Ni222  1  0.768675  0.507294  0.671116  1
  Ni  Ni223  1  0.300420  0.879747  0.703979  1
  Ni  Ni224  1  0.978339  0.106339  0.610397  1
  Ni  Ni225  1  0.142658  0.489929  0.658758  1
  Ni  Ni226  1  0.222755  0.919867  0.622409  1
  Ni  Ni227  1  0.381948  0.304576  0.670312  1
  Ni  Ni228  1  0.071688  0.533226  0.575043  1
  Ni  Ni229  1  0.955964  0.853456  0.610318  1
  Ni  Ni230  1  0.114473  0.238143  0.658505  1
  Ni  Ni231  1  0.282117  0.623961  0.704816  1
  Ni  Ni232  1  0.091682  0.785700  0.576018  1
  Ni  Ni233  1  0.247941  0.172119  0.625047  1
  Ni  Ni234  1  0.413160  0.555896  0.670802  1
  Ni  Ni235  1  0.052298  0.778515  0.645206  1
  Ni  Ni236  1  0.204976  0.155791  0.688357  1
  Ni  Ni237  1  0.893457  0.391384  0.594725  1
  Ni  Ni238  1  0.473281  0.017755  0.685004  1
  Ni  Ni239  1  0.150375  0.246320  0.591509  1
  Ni  Ni240  1  0.316083  0.632456  0.639159  1
  Ni  Ni241  1  0.791957  0.758081  0.612170  1
  Ni  Ni242  1  0.929505  0.143673  0.657830  1
  Ni  Ni243  1  0.128602  0.531241  0.705969  1
  Ni  Ni244  1  0.266918  0.879580  0.574755  1
  Ni  Ni245  1  0.426008  0.264840  0.622837  1
  Ni  Ni246  1  0.584735  0.650653  0.671289  1
  Ni  Ni247  1  0.052672  0.799815  0.698194  1
  Ni  Ni248  1  0.729997  0.027456  0.600174  1
  Ni  Ni249  1  0.889360  0.415049  0.649342  1
  Ni  Ni250  1  0.471599  0.994948  0.631516  1
  Ni  Ni251  1  0.640608  0.378074  0.677890  1
  Ni  Ni252  1  0.321125  0.609571  0.584001  1
  Ni  Ni253  1  0.841242  0.947548  0.634364  1
  Ni  Ni254  1  0.009604  0.329648  0.683857  1
  Ni  Ni255  1  0.689063  0.563696  0.586486  1
  Ni  Ni256  1  0.688651  0.848391  0.695355  1
  Ni  Ni257  1  0.364321  0.075021  0.599962  1
  Ni  Ni258  1  0.520567  0.459260  0.647104  1
  Ni  Ni259  1  0.586728  0.904504  0.607023  1
  Ni  Ni260  1  0.745101  0.288342  0.655557  1
  Ni  Ni261  1  0.902648  0.671562  0.700574  1
