# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.69856162
_cell_length_b   20.25232682
_cell_length_c   53.17491014
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   85.20907249
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8261.73464911
_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  0.295298  0.034116  0.425907  1
  Zr  Zr2  1  0.660287  0.625099  0.376698  1
  Zr  Zr3  1  0.067562  0.219182  0.330629  1
  Zr  Zr4  1  0.095291  0.041290  0.298328  1
  Zr  Zr5  1  0.456689  0.847415  0.386567  1
  Zr  Zr6  1  0.679100  0.444027  0.340382  1
  Zr  Zr7  1  0.944445  0.950331  0.380449  1
  Zr  Zr8  1  0.155040  0.547848  0.334412  1
  Zr  Zr9  1  0.552367  0.355678  0.429601  1
  Zr  Zr10  1  0.585601  0.125857  0.331300  1
  Zr  Zr11  1  1.000813  0.715743  0.291864  1
  Zr  Zr12  1  0.191207  0.521961  0.387123  1
  Zr  Zr13  1  0.583460  0.177309  0.405615  1
  Zr  Zr14  1  0.977498  0.769005  0.356102  1
  Zr  Zr15  1  0.191313  0.368046  0.311319  1
  Zr  Zr16  1  0.952766  0.903908  0.314639  1
  Zr  Zr17  1  0.152353  0.706216  0.407358  1
  Zr  Zr18  1  0.556615  0.301806  0.360233  1
  Zr  Zr19  1  0.092463  0.103251  0.376852  1
  Zr  Zr20  1  0.490806  0.699574  0.325069  1
  Zr  Zr21  1  0.691993  0.506990  0.422346  1
  Zr  Zr22  1  0.449990  0.973094  0.344793  1
  Zr  Zr23  1  0.662486  0.567365  0.295811  1
  Zr  Zr24  1  0.053672  0.376884  0.391428  1
  Zr  Zr25  1  0.114839  0.255901  0.568744  1
  Zr  Zr26  1  0.514054  0.848107  0.521752  1
  Zr  Zr27  1  0.899347  0.441395  0.473982  1
  Zr  Zr28  1  0.062035  0.256221  0.435593  1
  Zr  Zr29  1  0.276492  0.070864  0.530324  1
  Zr  Zr30  1  0.661759  0.664007  0.482539  1
  Zr  Zr31  1  0.764237  0.172088  0.521597  1
  Zr  Zr32  1  0.152146  0.764572  0.474754  1
  Zr  Zr33  1  0.371963  0.580318  0.569986  1
  Zr  Zr34  1  0.412023  0.340210  0.482695  1
  Zr  Zr35  1  0.804292  0.931865  0.434351  1
  Zr  Zr36  1  0.023671  0.747603  0.529547  1
  Zr  Zr37  1  0.404702  0.397609  0.548010  1
  Zr  Zr38  1  0.799125  0.988823  0.500023  1
  Zr  Zr39  1  0.183154  0.583356  0.452879  1
  Zr  Zr40  1  0.771559  0.114677  0.456310  1
  Zr  Zr41  1  0.992538  0.928784  0.551383  1
  Zr  Zr42  1  0.376892  0.523382  0.504279  1
  Zr  Zr43  1  0.916403  0.322985  0.518392  1
  Zr  Zr44  1  0.310784  0.913823  0.470033  1
  Zr  Zr45  1  0.529715  0.730450  0.566795  1
  Zr  Zr46  1  0.259944  0.189280  0.485942  1
  Zr  Zr47  1  0.646320  0.781746  0.437501  1
  Zr  Zr48  1  0.865319  0.598385  0.534300  1
  Zr  Zr49  1  0.081882  0.470898  0.705982  1
  Zr  Zr50  1  0.493837  0.068133  0.663393  1
  Zr  Zr51  1  0.720154  0.664808  0.617750  1
  Zr  Zr52  1  0.880999  0.478126  0.578434  1
  Zr  Zr53  1  0.110123  0.292513  0.673759  1
  Zr  Zr54  1  0.514418  0.887337  0.627572  1
  Zr  Zr55  1  0.591696  0.386434  0.672977  1
  Zr  Zr56  1  0.984208  0.989783  0.617281  1
  Zr  Zr57  1  0.177382  0.796686  0.712414  1
  Zr  Zr58  1  0.232401  0.561833  0.623894  1
  Zr  Zr59  1  0.624363  0.156571  0.574668  1
  Zr  Zr60  1  0.015695  0.966132  0.670357  1
  Zr  Zr61  1  0.224219  0.608474  0.689672  1
  Zr  Zr62  1  0.620207  0.209923  0.644205  1
  Zr  Zr63  1  0.023284  0.805949  0.596893  1
  Zr  Zr64  1  0.593474  0.334796  0.598750  1
  Zr  Zr65  1  0.981914  0.142887  0.692876  1
  Zr  Zr66  1  0.199059  0.743392  0.648236  1
  Zr  Zr67  1  0.727064  0.539133  0.659533  1
  Zr  Zr68  1  0.123212  0.135244  0.612935  1
  Zr  Zr69  1  0.509577  0.943004  0.708049  1
  Zr  Zr70  1  0.084538  0.408823  0.627510  1
  Zr  Zr71  1  0.483723  0.005125  0.581764  1
  Zr  Zr72  1  0.686065  0.812430  0.679213  1
  Ni  Ni73  1  0.074184  0.239613  0.382118  1
  Ni  Ni74  1  0.473040  0.834792  0.332708  1
  Ni  Ni75  1  0.669677  0.434528  0.287513  1
  Ni  Ni76  1  0.361379  0.195069  0.364420  1
  Ni  Ni77  1  0.762714  0.793405  0.317103  1
  Ni  Ni78  1  0.956344  0.598637  0.413383  1
  Ni  Ni79  1  0.185628  0.877307  0.351548  1
  Ni  Ni80  1  0.390760  0.481174  0.305096  1
  Ni  Ni81  1  0.786180  0.283822  0.399372  1
  Ni  Ni82  1  0.264068  0.098248  0.335632  1
  Ni  Ni83  1  0.479609  0.916821  0.427242  1
  Ni  Ni84  1  0.866145  0.506551  0.380206  1
  Ni  Ni85  1  0.270099  0.965950  0.386263  1
  Ni  Ni86  1  0.484093  0.566040  0.337404  1
  Ni  Ni87  1  0.892865  0.152181  0.294984  1
  Ni  Ni88  1  0.626595  0.049156  0.418416  1
  Ni  Ni89  1  0.988952  0.635361  0.369054  1
  Ni  Ni90  1  0.393109  0.244340  0.320461  1
  Ni  Ni91  1  0.757712  0.033696  0.298449  1
  Ni  Ni92  1  0.122178  0.834009  0.394598  1
  Ni  Ni93  1  0.348638  0.432635  0.347259  1
  Ni  Ni94  1  0.948890  0.045580  0.416842  1
  Ni  Ni95  1  0.321571  0.638030  0.368383  1
  Ni  Ni96  1  0.728978  0.243294  0.320733  1
  Ni  Ni97  1  0.795752  0.195122  0.364358  1
  Ni  Ni98  1  0.191929  0.795964  0.316726  1
  Ni  Ni99  1  0.400779  0.599483  0.412793  1
  Ni  Ni100  1  0.732866  0.877835  0.352297  1
  Ni  Ni101  1  0.947753  0.472653  0.304216  1
  Ni  Ni102  1  0.339180  0.283317  0.400363  1
  Ni  Ni103  1  0.769784  -0.001673  0.340693  1
  Ni  Ni104  1  0.989245  0.593425  0.297032  1
  Ni  Ni105  1  0.388020  0.401653  0.390020  1
  Ni  Ni106  1  0.756444  0.073863  0.377189  1
  Ni  Ni107  1  0.159519  0.675529  0.331388  1
  Ni  Ni108  1  0.365170  0.478350  0.426560  1
  Ni  Ni109  1  0.110260  0.996060  0.342486  1
  Ni  Ni110  1  0.315655  0.610356  0.297474  1
  Ni  Ni111  1  0.711837  0.402498  0.388351  1
  Ni  Ni112  1  0.436442  0.075340  0.379016  1
  Ni  Ni113  1  0.828152  0.669947  0.329715  1
  Ni  Ni114  1  0.036136  0.479492  0.428459  1
  Ni  Ni115  1  0.917262  0.098958  0.335036  1
  Ni  Ni116  1  0.136084  0.918736  0.426588  1
  Ni  Ni117  1  0.513016  0.509064  0.378970  1
  Ni  Ni118  1  0.613435  0.962383  0.388311  1
  Ni  Ni119  1  0.826972  0.555397  0.338751  1
  Ni  Ni120  1  0.263204  0.150237  0.295681  1
  Ni  Ni121  1  0.285194  0.920277  0.307470  1
  Ni  Ni122  1  0.477561  0.720328  0.400405  1
  Ni  Ni123  1  0.883833  0.319464  0.354805  1
  Ni  Ni124  1  0.261701  0.164370  0.411861  1
  Ni  Ni125  1  0.654601  0.756244  0.362616  1
  Ni  Ni126  1  0.858910  0.351568  0.312525  1
  Ni  Ni127  1  0.623797  0.918832  0.307005  1
  Ni  Ni128  1  0.822667  0.718388  0.401228  1
  Ni  Ni129  1  0.226723  0.318467  0.354453  1
  Ni  Ni130  1  0.913208  0.164882  0.410766  1
  Ni  Ni131  1  0.313626  0.756628  0.361170  1
  Ni  Ni132  1  0.526646  0.354038  0.314171  1
  Ni  Ni133  1  0.434907  0.031660  0.301193  1
  Ni  Ni134  1  0.797126  0.837433  0.396092  1
  Ni  Ni135  1  0.017553  0.430512  0.347551  1
  Ni  Ni136  1  0.891028  0.460665  0.526235  1
  Ni  Ni137  1  0.285158  0.051553  0.478099  1
  Ni  Ni138  1  0.668099  0.644370  0.429533  1
  Ni  Ni139  1  0.176516  0.415087  0.510049  1
  Ni  Ni140  1  0.570798  0.006311  0.461849  1
  Ni  Ni141  1  0.792817  0.821498  0.558014  1
  Ni  Ni142  1  0.999640  0.097157  0.494275  1
  Ni  Ni143  1  0.382760  0.690665  0.446281  1
  Ni  Ni144  1  0.605382  0.505914  0.542476  1
  Ni  Ni145  1  0.090548  0.324263  0.476268  1
  Ni  Ni146  1  0.301843  0.139134  0.570894  1
  Ni  Ni147  1  0.701459  0.731985  0.523376  1
  Ni  Ni148  1  0.085580  0.188085  0.528024  1
  Ni  Ni149  1  0.474385  0.780161  0.480905  1
  Ni  Ni150  1  0.874835  0.372790  0.433498  1
  Ni  Ni151  1  0.446740  0.270197  0.561230  1
  Ni  Ni152  1  0.847320  0.860840  0.513793  1
  Ni  Ni153  1  0.233115  0.455222  0.466894  1
  Ni  Ni154  1  0.730059  0.242158  0.443069  1
  Ni  Ni155  1  0.942775  0.056966  0.537404  1
  Ni  Ni156  1  0.328433  0.651297  0.490495  1
  Ni  Ni157  1  0.774554  0.266688  0.559747  1
  Ni  Ni158  1  0.175091  0.858495  0.512296  1
  Ni  Ni159  1  0.556909  0.453244  0.464932  1
  Ni  Ni160  1  0.624233  0.415124  0.508627  1
  Ni  Ni161  1  0.018180  0.006525  0.460484  1
  Ni  Ni162  1  0.238563  0.822279  0.556956  1
  Ni  Ni163  1  0.551933  0.097136  0.495693  1
  Ni  Ni164  1  0.937201  0.689873  0.447349  1
  Ni  Ni165  1  0.157980  0.505706  0.543847  1
  Ni  Ni166  1  0.587656  0.218849  0.482593  1
  Ni  Ni167  1  0.977676  0.810623  0.435138  1
  Ni  Ni168  1  0.193253  0.626224  0.530643  1
  Ni  Ni169  1  0.588715  0.293393  0.521715  1
  Ni  Ni170  1  0.982767  0.885992  0.473683  1
  Ni  Ni171  1  0.198541  0.701536  0.569169  1
  Ni  Ni172  1  0.921154  0.218192  0.481786  1
  Ni  Ni173  1  0.307836  0.810299  0.433325  1
  Ni  Ni174  1  0.525600  0.626807  0.529583  1
  Ni  Ni175  1  0.255258  0.294079  0.522518  1
  Ni  Ni176  1  0.650349  0.885371  0.474713  1
  Ni  Ni177  1  0.868429  0.701861  0.571000  1
  Ni  Ni178  1  0.745670  0.326642  0.474893  1
  Ni  Ni179  1  0.958604  0.142387  0.568656  1
  Ni  Ni180  1  0.355544  0.734561  0.522847  1
  Ni  Ni181  1  0.430512  0.185557  0.529466  1
  Ni  Ni182  1  0.820273  0.777601  0.481441  1
  Ni  Ni183  1  0.217917  0.369860  0.435622  1
  Ni  Ni184  1  0.095610  0.127008  0.448496  1
  Ni  Ni185  1  0.316363  0.941913  0.545081  1
  Ni  Ni186  1  0.701589  0.535550  0.496717  1
  Ni  Ni187  1  0.080676  0.385189  0.555843  1
  Ni  Ni188  1  0.474445  0.976695  0.507621  1
  Ni  Ni189  1  0.859280  0.570161  0.459165  1
  Ni  Ni190  1  0.440615  0.127726  0.450402  1
  Ni  Ni191  1  0.661492  0.941501  0.545651  1
  Ni  Ni192  1  0.045397  0.536249  0.498167  1
  Ni  Ni193  1  0.735667  0.384494  0.553938  1
  Ni  Ni194  1  0.130614  0.975961  0.506136  1
  Ni  Ni195  1  0.514351  0.570607  0.458614  1
  Ni  Ni196  1  0.402283  0.245538  0.444588  1
  Ni  Ni197  1  0.619200  0.058977  0.539340  1
  Ni  Ni198  1  1.000712  0.653663  0.491995  1
  Ni  Ni199  1  0.704105  0.677431  0.671568  1
  Ni  Ni200  1  0.102695  0.272575  0.622201  1
  Ni  Ni201  1  0.507429  0.867819  0.574813  1
  Ni  Ni202  1  0.991380  0.634996  0.652775  1
  Ni  Ni203  1  0.390870  0.228451  0.604904  1
  Ni  Ni204  1  0.765097  0.032144  0.699254  1
  Ni  Ni205  1  0.815602  0.316833  0.640004  1
  Ni  Ni206  1  0.219029  0.913534  0.590869  1
  Ni  Ni207  1  0.414296  0.718907  0.687154  1
  Ni  Ni208  1  0.906840  0.546176  0.618095  1
  Ni  Ni209  1  0.284501  0.360072  0.709345  1
  Ni  Ni210  1  0.687735  0.945938  0.666642  1
  Ni  Ni211  1  0.913312  0.413833  0.668679  1
  Ni  Ni212  1  0.309108  0.006122  0.623836  1
  Ni  Ni213  1  0.696532  0.595451  0.577072  1
  Ni  Ni214  1  0.419539  0.478546  0.705870  1
  Ni  Ni215  1  0.824069  0.079855  0.657034  1
  Ni  Ni216  1  0.054747  0.678308  0.609742  1
  Ni  Ni217  1  0.549736  0.463001  0.585922  1
  Ni  Ni218  1  0.783006  0.267092  0.683986  1
  Ni  Ni219  1  0.184890  0.876968  0.635267  1
  Ni  Ni220  1  0.742353  0.480511  0.703102  1
  Ni  Ni221  1  0.157039  0.081630  0.656696  1
  Ni  Ni222  1  0.379663  0.674720  0.608229  1
  Ni  Ni223  1  0.444112  0.634343  0.652010  1
  Ni  Ni224  1  0.837382  0.228839  0.603972  1
  Ni  Ni225  1  0.234418  0.039690  0.699985  1
  Ni  Ni226  1  0.381259  0.316919  0.639988  1
  Ni  Ni227  1  0.775093  0.912684  0.591498  1
  Ni  Ni228  1  0.985094  0.716410  0.687590  1
  Ni  Ni229  1  0.420366  0.438277  0.627143  1
  Ni  Ni230  1  0.810749  0.033785  0.577746  1
  Ni  Ni231  1  0.016700  0.837516  0.673046  1
  Ni  Ni232  1  0.407254  0.513863  0.663635  1
  Ni  Ni233  1  0.789276  0.110430  0.614250  1
  Ni  Ni234  1  0.184387  0.918838  0.707056  1
  Ni  Ni235  1  0.740450  0.436729  0.625324  1
  Ni  Ni236  1  0.139440  0.032654  0.575870  1
  Ni  Ni237  1  0.348396  0.842503  0.674492  1
  Ni  Ni238  1  0.066813  0.516178  0.661867  1
  Ni  Ni239  1  0.465201  0.109795  0.615789  1
  Ni  Ni240  1  0.856967  0.902979  0.706741  1
  Ni  Ni241  1  0.563441  0.549767  0.616023  1
  Ni  Ni242  1  0.913814  0.361765  0.708561  1
  Ni  Ni243  1  0.343743  0.957085  0.665167  1
  Ni  Ni244  1  0.259865  0.413136  0.669289  1
  Ni  Ni245  1  0.662146  0.003368  0.625259  1
  Ni  Ni246  1  0.040225  0.593469  0.577764  1
  Ni  Ni247  1  0.915096  0.347810  0.592497  1
  Ni  Ni248  1  0.313342  0.160887  0.691448  1
  Ni  Ni249  1  0.522076  0.756047  0.641678  1
  Ni  Ni250  1  0.891894  0.592007  0.696854  1
  Ni  Ni251  1  0.293020  0.192576  0.649342  1
  Ni  Ni252  1  0.698152  0.791903  0.603919  1
  Ni  Ni253  1  0.263636  0.347342  0.593548  1
  Ni  Ni254  1  0.644456  0.157747  0.690216  1
  Ni  Ni255  1  0.863482  0.755706  0.643136  1
  Ni  Ni256  1  0.553263  0.593507  0.697310  1
  Ni  Ni257  1  0.950353  0.193672  0.649879  1
  Ni  Ni258  1  0.352804  0.793723  0.603072  1
  Ni  Ni259  1  0.227419  0.466609  0.587500  1
  Ni  Ni260  1  0.447497  0.268712  0.683600  1
  Ni  Ni261  1  0.853059  0.874076  0.635974  1
