# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.72696149
_cell_length_b   15.22703290
_cell_length_c   54.69411010
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.96158652
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7082.88120261
_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  0.029311  0.089197  0.297878  1
  Zr  Zr2  1  0.918088  0.620628  0.351547  1
  Zr  Zr3  1  0.493399  0.560518  0.313488  1
  Zr  Zr4  1  0.360804  0.100724  0.369474  1
  Zr  Zr5  1  0.525768  0.401995  0.375274  1
  Zr  Zr6  1  0.633300  0.871363  0.316984  1
  Zr  Zr7  1  0.749191  0.320843  0.345183  1
  Zr  Zr8  1  0.884055  0.795167  0.293287  1
  Zr  Zr9  1  0.163177  0.317673  0.333689  1
  Zr  Zr10  1  0.041283  0.843598  0.386524  1
  Zr  Zr11  1  0.368981  0.341797  0.281568  1
  Zr  Zr12  1  0.235833  0.875937  0.331465  1
  Zr  Zr13  1  0.984230  0.533208  0.297304  1
  Zr  Zr14  1  0.846670  0.054888  0.352926  1
  Zr  Zr15  1  0.543962  0.130662  0.313780  1
  Zr  Zr16  1  0.423343  0.662272  0.368150  1
  Zr  Zr17  1  0.784023  0.147972  0.406969  1
  Zr  Zr18  1  0.663852  0.674314  0.462182  1
  Zr  Zr19  1  0.241761  0.627604  0.424578  1
  Zr  Zr20  1  0.117503  0.154884  0.480453  1
  Zr  Zr21  1  0.276192  0.457410  0.485223  1
  Zr  Zr22  1  0.398819  0.929062  0.428871  1
  Zr  Zr23  1  0.503969  0.373111  0.458242  1
  Zr  Zr24  1  0.626528  0.844318  0.401757  1
  Zr  Zr25  1  0.918472  0.371008  0.442851  1
  Zr  Zr26  1  0.793955  0.898157  0.497753  1
  Zr  Zr27  1  0.110968  0.404428  0.389550  1
  Zr  Zr28  1  0.985528  0.931030  0.444395  1
  Zr  Zr29  1  0.733848  0.585334  0.407395  1
  Zr  Zr30  1  0.609076  0.112391  0.462763  1
  Zr  Zr31  1  0.291796  0.189265  0.424902  1
  Zr  Zr32  1  0.174102  0.717442  0.479575  1
  Zr  Zr33  1  0.540626  0.202472  0.517684  1
  Zr  Zr34  1  0.415879  0.729558  0.573206  1
  Zr  Zr35  1  0.993869  0.683165  0.535592  1
  Zr  Zr36  1  0.874146  0.209320  0.591242  1
  Zr  Zr37  1  0.030945  0.513044  0.595954  1
  Zr  Zr38  1  0.154387  0.984383  0.539977  1
  Zr  Zr39  1  0.259376  0.428284  0.569034  1
  Zr  Zr40  1  0.381082  0.900204  0.512766  1
  Zr  Zr41  1  0.672475  0.426235  0.553550  1
  Zr  Zr42  1  0.547211  0.953554  0.608513  1
  Zr  Zr43  1  0.863883  0.459311  0.500136  1
  Zr  Zr44  1  0.739747  0.986493  0.555337  1
  Zr  Zr45  1  0.483862  0.640118  0.518205  1
  Zr  Zr46  1  0.366159  0.168128  0.573343  1
  Zr  Zr47  1  0.048684  0.244805  0.535320  1
  Zr  Zr48  1  0.924130  0.771971  0.590392  1
  Zr  Zr49  1  0.297219  0.257005  0.628634  1
  Zr  Zr50  1  0.165996  0.795735  0.684185  1
  Zr  Zr51  1  0.741417  0.737084  0.646143  1
  Zr  Zr52  1  0.629352  0.271769  0.699934  1
  Zr  Zr53  1  0.779721  0.565472  0.705546  1
  Zr  Zr54  1  0.912908  0.037609  0.653174  1
  Zr  Zr55  1  0.019967  0.486733  0.680359  1
  Zr  Zr56  1  0.132205  0.955950  0.622348  1
  Zr  Zr57  1  0.422102  0.482100  0.665073  1
  Zr  Zr58  1  0.289013  0.004979  0.714971  1
  Zr  Zr59  1  0.617805  0.514122  0.611069  1
  Zr  Zr60  1  0.493392  0.041934  0.664952  1
  Zr  Zr61  1  0.235358  0.695670  0.629541  1
  Zr  Zr62  1  0.117169  0.228947  0.684234  1
  Zr  Zr63  1  0.810173  0.301919  0.645303  1
  Zr  Zr64  1  0.674758  0.823840  0.700489  1
  Ni  Ni65  1  0.204234  0.593242  0.331736  1
  Ni  Ni66  1  0.314563  0.097714  0.278280  1
  Ni  Ni67  1  0.960554  0.240551  0.368482  1
  Ni  Ni68  1  0.094263  0.710642  0.310615  1
  Ni  Ni69  1  0.314297  0.479826  0.352653  1
  Ni  Ni70  1  0.434934  0.966933  0.295765  1
  Ni  Ni71  1  0.658359  0.160642  0.361651  1
  Ni  Ni72  1  0.787413  0.631483  0.307307  1
  Ni  Ni73  1  0.618649  0.562949  0.358769  1
  Ni  Ni74  1  0.739556  0.036740  0.306097  1
  Ni  Ni75  1  0.076216  0.262021  0.289284  1
  Ni  Ni76  1  0.940080  0.787885  0.340327  1
  Ni  Ni77  1  0.470324  0.394362  0.325395  1
  Ni  Ni78  1  0.335269  0.927973  0.379041  1
  Ni  Ni79  1  0.843762  0.471907  0.378079  1
  Ni  Ni80  1  0.961087  0.940805  0.323395  1
  Ni  Ni81  1  0.019956  0.451803  0.342747  1
  Ni  Ni82  1  0.145638  0.936215  0.287725  1
  Ni  Ni83  1  0.255323  0.268304  0.377904  1
  Ni  Ni84  1  0.385111  0.736865  0.320875  1
  Ni  Ni85  1  0.604153  0.293102  0.302996  1
  Ni  Ni86  1  0.481515  0.833351  0.358690  1
  Ni  Ni87  1  0.903212  0.360225  0.304196  1
  Ni  Ni88  1  0.782756  0.881749  0.359825  1
  Ni  Ni89  1  0.675196  0.446805  0.289579  1
  Ni  Ni90  1  0.524429  0.991038  0.342514  1
  Ni  Ni91  1  0.876572  0.198714  0.324683  1
  Ni  Ni92  1  0.752420  0.725569  0.378154  1
  Ni  Ni93  1  0.748847  0.476348  0.330216  1
  Ni  Ni94  1  0.612559  0.999003  0.385363  1
  Ni  Ni95  1  0.792108  0.200947  0.284691  1
  Ni  Ni96  1  0.660945  0.722302  0.335694  1
  Ni  Ni97  1  0.135768  0.568048  0.377775  1
  Ni  Ni98  1  0.252830  0.042047  0.322747  1
  Ni  Ni99  1  0.131861  0.150657  0.343450  1
  Ni  Ni100  1  0.278199  0.622901  0.287840  1
  Ni  Ni101  1  0.302604  0.206508  0.308711  1
  Ni  Ni102  1  0.187929  0.732347  0.357736  1
  Ni  Ni103  1  0.210982  0.453727  0.305542  1
  Ni  Ni104  1  0.090687  0.987916  0.361694  1
  Ni  Ni105  1  0.440959  0.247005  0.344878  1
  Ni  Ni106  1  0.577510  0.710684  0.289376  1
  Ni  Ni107  1  0.953317  0.651302  0.443481  1
  Ni  Ni108  1  0.071967  0.122580  0.388522  1
  Ni  Ni109  1  0.718041  0.295071  0.478549  1
  Ni  Ni110  1  0.841412  0.767337  0.422641  1
  Ni  Ni111  1  0.064158  0.535385  0.464334  1
  Ni  Ni112  1  0.184574  0.006322  0.408577  1
  Ni  Ni113  1  0.413307  0.212680  0.472808  1
  Ni  Ni114  1  0.536999  0.684802  0.417214  1
  Ni  Ni115  1  0.368866  0.616404  0.469344  1
  Ni  Ni116  1  0.487602  0.089931  0.414924  1
  Ni  Ni117  1  0.810011  0.318857  0.396251  1
  Ni  Ni118  1  0.688435  0.844830  0.451291  1
  Ni  Ni119  1  0.216319  0.457548  0.435684  1
  Ni  Ni120  1  0.091851  0.984067  0.490784  1
  Ni  Ni121  1  0.593484  0.526784  0.489050  1
  Ni  Ni122  1  0.714146  0.998334  0.433079  1
  Ni  Ni123  1  0.771429  0.505615  0.454705  1
  Ni  Ni124  1  0.890159  0.975414  0.398720  1
  Ni  Ni125  1  0.010717  0.324694  0.488385  1
  Ni  Ni126  1  0.133862  0.797159  0.432192  1
  Ni  Ni127  1  0.360527  0.361850  0.415485  1
  Ni  Ni128  1  0.237096  0.889181  0.470112  1
  Ni  Ni129  1  0.668204  0.413665  0.417413  1
  Ni  Ni130  1  0.543176  0.940144  0.471713  1
  Ni  Ni131  1  0.400227  0.521787  0.397803  1
  Ni  Ni132  1  0.277927  0.047796  0.453493  1
  Ni  Ni133  1  0.626241  0.254342  0.433931  1
  Ni  Ni134  1  0.503612  0.780975  0.488750  1
  Ni  Ni135  1  0.496612  0.524187  0.439270  1
  Ni  Ni136  1  0.371711  0.053171  0.495304  1
  Ni  Ni137  1  0.530410  0.248280  0.392737  1
  Ni  Ni138  1  0.409273  0.777201  0.446915  1
  Ni  Ni139  1  0.884517  0.623430  0.489026  1
  Ni  Ni140  1  1.002701  0.094275  0.433517  1
  Ni  Ni141  1  0.898672  0.207111  0.453688  1
  Ni  Ni142  1  0.022989  0.679286  0.397784  1
  Ni  Ni143  1  0.056632  0.259613  0.414495  1
  Ni  Ni144  1  0.935593  0.786730  0.469282  1
  Ni  Ni145  1  0.970231  0.515365  0.417671  1
  Ni  Ni146  1  0.845259  0.042716  0.472972  1
  Ni  Ni147  1  0.188537  0.304074  0.454184  1
  Ni  Ni148  1  0.312244  0.775329  0.397980  1
  Ni  Ni149  1  0.704340  0.706189  0.554255  1
  Ni  Ni150  1  0.828967  0.178501  0.499078  1
  Ni  Ni151  1  0.473523  0.350416  0.589386  1
  Ni  Ni152  1  0.593598  0.822390  0.533501  1
  Ni  Ni153  1  0.816637  0.590416  0.575099  1
  Ni  Ni154  1  0.940031  0.061957  0.519611  1
  Ni  Ni155  1  0.170332  0.267782  0.583094  1
  Ni  Ni156  1  0.288948  0.741008  0.528443  1
  Ni  Ni157  1  0.120968  0.672456  0.580565  1
  Ni  Ni158  1  0.244783  0.144753  0.525368  1
  Ni  Ni159  1  0.566231  0.373332  0.507286  1
  Ni  Ni160  1  0.441794  0.899911  0.562307  1
  Ni  Ni161  1  0.969364  0.512526  0.546538  1
  Ni  Ni162  1  0.848522  0.038902  0.602060  1
  Ni  Ni163  1  0.346214  0.581834  0.599995  1
  Ni  Ni164  1  0.469913  0.053417  0.544004  1
  Ni  Ni165  1  0.523974  0.560400  0.565571  1
  Ni  Ni166  1  0.647101  0.032384  0.509711  1
  Ni  Ni167  1  0.766811  0.381040  0.599207  1
  Ni  Ni168  1  0.886507  0.852020  0.543172  1
  Ni  Ni169  1  0.114704  0.417228  0.526259  1
  Ni  Ni170  1  0.989181  0.943766  0.580521  1
  Ni  Ni171  1  0.420726  0.468176  0.527771  1
  Ni  Ni172  1  0.298393  0.995952  0.582638  1
  Ni  Ni173  1  0.153790  0.576681  0.509067  1
  Ni  Ni174  1  0.032216  0.103029  0.564317  1
  Ni  Ni175  1  0.380222  0.309421  0.544582  1
  Ni  Ni176  1  0.258351  0.835961  0.600023  1
  Ni  Ni177  1  0.248607  0.580019  0.550782  1
  Ni  Ni178  1  0.127680  0.110158  0.605629  1
  Ni  Ni179  1  0.286196  0.304494  0.502831  1
  Ni  Ni180  1  0.161408  0.833052  0.558608  1
  Ni  Ni181  1  0.634989  0.678306  0.599883  1
  Ni  Ni182  1  0.759435  0.150208  0.544444  1
  Ni  Ni183  1  0.655274  0.262758  0.564617  1
  Ni  Ni184  1  0.773182  0.734112  0.508791  1
  Ni  Ni185  1  0.812723  0.314706  0.525081  1
  Ni  Ni186  1  0.687368  0.841808  0.580181  1
  Ni  Ni187  1  0.722191  0.570580  0.528536  1
  Ni  Ni188  1  0.601561  0.097934  0.583783  1
  Ni  Ni189  1  0.943745  0.358780  0.564905  1
  Ni  Ni190  1  0.064197  0.830735  0.508789  1
  Ni  Ni191  1  0.456269  0.762974  0.665916  1
  Ni  Ni192  1  0.585484  0.233801  0.609880  1
  Ni  Ni193  1  0.223665  0.399749  0.700480  1
  Ni  Ni194  1  0.345527  0.878257  0.645209  1
  Ni  Ni195  1  0.564856  0.644642  0.687414  1
  Ni  Ni196  1  0.697403  0.116366  0.630036  1
  Ni  Ni197  1  0.919502  0.320731  0.692030  1
  Ni  Ni198  1  0.040873  0.795506  0.638935  1
  Ni  Ni199  1  0.872045  0.726608  0.690411  1
  Ni  Ni200  1  1.000471  0.197407  0.636805  1
  Ni  Ni201  1  0.322049  0.428892  0.618458  1
  Ni  Ni202  1  0.184651  0.961806  0.671729  1
  Ni  Ni203  1  0.719711  0.569874  0.657917  1
  Ni  Ni204  1  0.584074  0.097085  0.709104  1
  Ni  Ni205  1  0.083804  0.647698  0.708556  1
  Ni  Ni206  1  0.223391  0.112782  0.654737  1
  Ni  Ni207  1  0.273729  0.619002  0.676962  1
  Ni  Ni208  1  0.401867  0.088814  0.620541  1
  Ni  Ni209  1  0.518128  0.435327  0.708252  1
  Ni  Ni210  1  0.639540  0.907173  0.654959  1
  Ni  Ni211  1  0.873912  0.475063  0.637590  1
  Ni  Ni212  1  0.754492  0.997910  0.693798  1
  Ni  Ni213  1  0.175763  0.524265  0.638936  1
  Ni  Ni214  1  0.055997  0.064584  0.695453  1
  Ni  Ni215  1  0.906415  0.631883  0.619714  1
  Ni  Ni216  1  0.781424  0.159704  0.673619  1
  Ni  Ni217  1  0.132451  0.366523  0.655132  1
  Ni  Ni218  1  0.981934  0.909545  0.707862  1
  Ni  Ni219  1  0.998714  0.636009  0.662005  1
  Ni  Ni220  1  0.868278  0.157802  0.713359  1
  Ni  Ni221  1  0.044110  0.358554  0.612631  1
  Ni  Ni222  1  0.908523  0.880453  0.667333  1
  Ni  Ni223  1  0.381727  0.734097  0.709822  1
  Ni  Ni224  1  0.523046  0.206973  0.655398  1
  Ni  Ni225  1  0.406576  0.318322  0.675107  1
  Ni  Ni226  1  0.523445  0.789675  0.619974  1
  Ni  Ni227  1  0.567924  0.369323  0.636263  1
  Ni  Ni228  1  0.450331  0.901586  0.691708  1
  Ni  Ni229  1  0.471717  0.625965  0.639903  1
  Ni  Ni230  1  0.355314  0.157616  0.692564  1
  Ni  Ni231  1  0.697978  0.417897  0.674394  1
  Ni  Ni232  1  0.814280  0.885914  0.619673  1
