# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.52031172
_cell_length_b   18.22208011
_cell_length_c   53.04125560
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.83842914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6297.5405034
_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  0.933403  0.100381  0.279488  1
  Zr  Zr2  1  0.674167  0.721253  0.343072  1
  Zr  Zr3  1  0.576990  0.620454  0.275835  1
  Zr  Zr4  1  0.337531  0.247595  0.340200  1
  Zr  Zr5  1  0.908612  0.813470  0.273007  1
  Zr  Zr6  1  0.688143  0.439365  0.333424  1
  Zr  Zr7  1  0.539087  0.906387  0.285893  1
  Zr  Zr8  1  0.319072  0.530226  0.347820  1
  Zr  Zr9  1  0.254358  0.998896  0.333891  1
  Zr  Zr10  1  0.488073  0.372103  0.272266  1
  Zr  Zr11  1  0.762583  0.972101  0.349543  1
  Zr  Zr12  1  0.001626  0.345986  0.287679  1
  Zr  Zr13  1  0.174162  0.757914  0.330010  1
  Zr  Zr14  1  0.433802  0.132953  0.268939  1
  Zr  Zr15  1  0.840220  0.212327  0.353499  1
  Zr  Zr16  1  0.077752  0.583688  0.288296  1
  Zr  Zr17  1  0.438883  0.349666  0.406523  1
  Zr  Zr18  1  0.193339  0.976428  0.469052  1
  Zr  Zr19  1  0.089318  0.875189  0.401911  1
  Zr  Zr20  1  0.846985  0.503851  0.464864  1
  Zr  Zr21  1  0.449552  0.065789  0.397716  1
  Zr  Zr22  1  0.202849  0.694737  0.460345  1
  Zr  Zr23  1  0.081867  0.157735  0.410780  1
  Zr  Zr24  1  0.833999  0.785252  0.473350  1
  Zr  Zr25  1  0.766606  0.253533  0.458940  1
  Zr  Zr26  1  0.007260  0.624430  0.395428  1
  Zr  Zr27  1  0.275987  0.227408  0.475484  1
  Zr  Zr28  1  0.517778  0.599279  0.412158  1
  Zr  Zr29  1  0.691016  0.012214  0.455489  1
  Zr  Zr30  1  0.935661  0.384657  0.393118  1
  Zr  Zr31  1  0.350259  0.468714  0.478474  1
  Zr  Zr32  1  0.592835  0.839624  0.415299  1
  Zr  Zr33  1  0.950306  0.604496  0.531956  1
  Zr  Zr34  1  0.707450  0.233045  0.594707  1
  Zr  Zr35  1  0.603832  0.131496  0.527605  1
  Zr  Zr36  1  0.358529  0.758474  0.590315  1
  Zr  Zr37  1  0.963076  0.322708  0.523397  1
  Zr  Zr38  1  0.715871  0.950374  0.585948  1
  Zr  Zr39  1  0.594552  0.413671  0.536401  1
  Zr  Zr40  1  0.348393  0.042566  0.598940  1
  Zr  Zr41  1  0.279175  0.508948  0.584599  1
  Zr  Zr42  1  0.521246  0.880613  0.521252  1
  Zr  Zr43  1  0.789618  0.483882  0.601411  1
  Zr  Zr44  1  0.030802  0.854593  0.537785  1
  Zr  Zr45  1  0.204109  0.268539  0.581292  1
  Zr  Zr46  1  0.447036  0.639537  0.518357  1
  Zr  Zr47  1  0.861784  0.723443  0.603597  1
  Zr  Zr48  1  0.106122  0.095744  0.541206  1
  Zr  Zr49  1  0.461479  0.860156  0.656490  1
  Zr  Zr50  1  0.215986  0.484214  0.720789  1
  Zr  Zr51  1  0.120472  0.387325  0.653544  1
  Zr  Zr52  1  0.866728  0.008308  0.717190  1
  Zr  Zr53  1  0.475573  0.578375  0.649441  1
  Zr  Zr54  1  0.264890  0.203000  0.711043  1
  Zr  Zr55  1  0.106871  0.668464  0.664270  1
  Zr  Zr56  1  0.889688  0.292499  0.723527  1
  Zr  Zr57  1  0.799240  0.762285  0.708901  1
  Zr  Zr58  1  0.035318  0.136066  0.647107  1
  Zr  Zr59  1  0.304169  0.734139  0.723860  1
  Zr  Zr60  1  0.544314  0.109475  0.662769  1
  Zr  Zr61  1  0.712715  0.522332  0.708535  1
  Zr  Zr62  1  0.958739  0.895976  0.643095  1
  Zr  Zr63  1  0.366154  0.974753  0.727601  1
  Zr  Zr64  1  0.621409  0.350250  0.666427  1
  Ni  Ni65  1  0.850656  0.542084  0.245512  1
  Ni  Ni66  1  0.636898  0.172402  0.309548  1
  Ni  Ni67  1  0.590927  0.041124  0.305930  1
  Ni  Ni68  1  0.338870  0.663557  0.368406  1
  Ni  Ni69  1  0.923099  0.678703  0.252543  1
  Ni  Ni70  1  0.674126  0.305720  0.314375  1
  Ni  Ni71  1  0.683551  0.005006  0.259967  1
  Ni  Ni72  1  0.389207  0.639418  0.318632  1
  Ni  Ni73  1  0.861441  0.699130  0.300330  1
  Ni  Ni74  1  0.624176  0.331309  0.363407  1
  Ni  Ni75  1  0.909481  0.966485  0.301553  1
  Ni  Ni76  1  0.675540  0.590946  0.365196  1
  Ni  Ni77  1  0.585931  0.748676  0.254718  1
  Ni  Ni78  1  0.332300  0.378073  0.317074  1
  Ni  Ni79  1  0.834832  0.841191  0.321006  1
  Ni  Ni80  1  0.107459  0.224786  0.260717  1
  Ni  Ni81  1  0.475570  0.868990  0.334866  1
  Ni  Ni82  1  0.723090  0.244036  0.271684  1
  Ni  Ni83  1  0.537872  0.101708  0.348061  1
  Ni  Ni84  1  0.767622  0.475073  0.283536  1
  Ni  Ni85  1  0.295136  0.832759  0.258630  1
  Ni  Ni86  1  0.055061  0.468189  0.316960  1
  Ni  Ni87  1  0.184309  0.876576  0.302351  1
  Ni  Ni88  1  0.952352  0.499889  0.364200  1
  Ni  Ni89  1  0.229424  0.717542  0.280082  1
  Ni  Ni90  1  0.994659  0.343242  0.340504  1
  Ni  Ni91  1  0.260565  0.010551  0.284549  1
  Ni  Ni92  1  0.015973  0.626916  0.341960  1
  Ni  Ni93  1  0.520876  0.772283  0.298949  1
  Ni  Ni94  1  0.275077  0.397271  0.362517  1
  Ni  Ni95  1  0.037605  0.940902  0.260126  1
  Ni  Ni96  1  0.739289  0.571714  0.319164  1
  Ni  Ni97  1  0.751935  0.843686  0.369396  1
  Ni  Ni98  1  0.997332  0.218882  0.307151  1
  Ni  Ni99  1  0.261719  0.127668  0.312581  1
  Ni  Ni100  1  0.472535  0.503114  0.251516  1
  Ni  Ni101  1  0.913072  0.088963  0.329355  1
  Ni  Ni102  1  0.140168  0.460096  0.267516  1
  Ni  Ni103  1  0.103181  0.881269  0.352665  1
  Ni  Ni104  1  0.354085  0.255038  0.292265  1
  Ni  Ni105  1  0.175495  0.129418  0.360911  1
  Ni  Ni106  1  0.412335  0.501679  0.298325  1
  Ni  Ni107  1  0.382264  0.797778  0.373061  1
  Ni  Ni108  1  0.143100  0.426742  0.435740  1
  Ni  Ni109  1  0.099413  0.292144  0.431937  1
  Ni  Ni110  1  0.854268  0.919509  0.494331  1
  Ni  Ni111  1  0.428585  0.932233  0.376824  1
  Ni  Ni112  1  0.185653  0.561126  0.439248  1
  Ni  Ni113  1  0.153699  0.267359  0.382952  1
  Ni  Ni114  1  0.907470  0.894512  0.445065  1
  Ni  Ni115  1  0.375269  0.956813  0.426080  1
  Ni  Ni116  1  0.132288  0.585631  0.488713  1
  Ni  Ni117  1  0.433738  0.219673  0.428950  1
  Ni  Ni118  1  0.188739  0.846256  0.491136  1
  Ni  Ni119  1  0.094621  0.005346  0.379999  1
  Ni  Ni120  1  0.850144  0.633179  0.442304  1
  Ni  Ni121  1  0.354979  0.094762  0.447603  1
  Ni  Ni122  1  0.598099  0.467336  0.384282  1
  Ni  Ni123  1  0.995276  0.125180  0.460182  1
  Ni  Ni124  1  0.237671  0.496887  0.397291  1
  Ni  Ni125  1  0.047116  0.355718  0.473905  1
  Ni  Ni126  1  0.287619  0.726497  0.410883  1
  Ni  Ni127  1  0.819123  0.094945  0.381200  1
  Ni  Ni128  1  0.572233  0.722898  0.443433  1
  Ni  Ni129  1  0.710523  0.129814  0.427592  1
  Ni  Ni130  1  0.466189  0.756198  0.490140  1
  Ni  Ni131  1  0.751413  0.968796  0.402816  1
  Ni  Ni132  1  0.506871  0.598109  0.465508  1
  Ni  Ni133  1  0.778309  0.255628  0.405956  1
  Ni  Ni134  1  0.532651  0.882257  0.468106  1
  Ni  Ni135  1  0.027750  0.025618  0.425153  1
  Ni  Ni136  1  0.785031  0.652880  0.487907  1
  Ni  Ni137  1  0.502527  0.198557  0.383913  1
  Ni  Ni138  1  0.255129  0.826595  0.445748  1
  Ni  Ni139  1  0.267216  0.099466  0.495551  1
  Ni  Ni140  1  0.511224  0.472372  0.432758  1
  Ni  Ni141  1  0.773981  0.380887  0.438580  1
  Ni  Ni142  1  0.013686  0.752223  0.375568  1
  Ni  Ni143  1  0.421025  0.344275  0.456163  1
  Ni  Ni144  1  0.661688  0.715214  0.392806  1
  Ni  Ni145  1  0.621090  0.136791  0.478040  1
  Ni  Ni146  1  0.863406  0.508541  0.415121  1
  Ni  Ni147  1  0.687358  0.385970  0.486581  1
  Ni  Ni148  1  0.927872  0.756840  0.423444  1
  Ni  Ni149  1  0.898622  0.053970  0.498335  1
  Ni  Ni150  1  0.653820  0.681361  0.561181  1
  Ni  Ni151  1  0.611390  0.547193  0.557624  1
  Ni  Ni152  1  0.368798  0.175984  0.619821  1
  Ni  Ni153  1  0.942901  0.188444  0.502370  1
  Ni  Ni154  1  0.698182  0.815986  0.564823  1
  Ni  Ni155  1  0.665189  0.522711  0.508095  1
  Ni  Ni156  1  0.421887  0.151463  0.570530  1
  Ni  Ni157  1  0.889186  0.213426  0.551610  1
  Ni  Ni158  1  0.644987  0.840707  0.613783  1
  Ni  Ni159  1  0.946871  0.475227  0.554490  1
  Ni  Ni160  1  0.703125  0.102892  0.616693  1
  Ni  Ni161  1  0.608626  0.261816  0.505557  1
  Ni  Ni162  1  0.363844  0.888330  0.567782  1
  Ni  Ni163  1  0.869111  0.351433  0.573236  1
  Ni  Ni164  1  0.109990  0.722300  0.510191  1
  Ni  Ni165  1  0.509367  0.381885  0.585816  1
  Ni  Ni166  1  0.750072  0.752321  0.522914  1
  Ni  Ni167  1  0.558920  0.611063  0.599726  1
  Ni  Ni168  1  0.802117  0.982865  0.536528  1
  Ni  Ni169  1  0.331232  0.351853  0.506639  1
  Ni  Ni170  1  0.087111  0.978221  0.569130  1
  Ni  Ni171  1  0.224679  0.385568  0.553264  1
  Ni  Ni172  1  0.978877  0.013348  0.615521  1
  Ni  Ni173  1  0.264518  0.225621  0.528565  1
  Ni  Ni174  1  0.019672  0.852463  0.590756  1
  Ni  Ni175  1  0.290360  0.510335  0.531308  1
  Ni  Ni176  1  0.045789  0.139417  0.593878  1
  Ni  Ni177  1  0.541603  0.281756  0.550887  1
  Ni  Ni178  1  0.296237  0.909700  0.612757  1
  Ni  Ni179  1  0.012483  0.455220  0.508913  1
  Ni  Ni180  1  0.769293  0.082507  0.571541  1
  Ni  Ni181  1  0.782799  0.355910  0.621007  1
  Ni  Ni182  1  0.023335  0.727314  0.558222  1
  Ni  Ni183  1  0.285910  0.635837  0.564137  1
  Ni  Ni184  1  0.530045  0.008481  0.501133  1
  Ni  Ni185  1  0.933758  0.599675  0.581769  1
  Ni  Ni186  1  0.176228  0.971235  0.518632  1
  Ni  Ni187  1  0.135162  0.393042  0.603841  1
  Ni  Ni188  1  0.376272  0.763822  0.540658  1
  Ni  Ni189  1  0.198586  0.640785  0.612806  1
  Ni  Ni190  1  0.442338  0.013219  0.549090  1
  Ni  Ni191  1  0.413695  0.310553  0.623554  1
  Ni  Ni192  1  0.162947  0.936316  0.687097  1
  Ni  Ni193  1  0.126210  0.803679  0.682015  1
  Ni  Ni194  1  0.868445  0.423645  0.743132  1
  Ni  Ni195  1  0.457148  0.445091  0.628351  1
  Ni  Ni196  1  0.208660  0.067660  0.690679  1
  Ni  Ni197  1  0.172979  0.775665  0.633534  1
  Ni  Ni198  1  0.928944  0.408085  0.696008  1
  Ni  Ni199  1  0.404826  0.467850  0.678227  1
  Ni  Ni200  1  0.118838  0.103580  0.736542  1
  Ni  Ni201  1  0.467813  0.728611  0.679838  1
  Ni  Ni202  1  0.212224  0.356502  0.742187  1
  Ni  Ni203  1  0.120069  0.517445  0.631678  1
  Ni  Ni204  1  0.890158  0.142268  0.695200  1
  Ni  Ni205  1  0.377157  0.603607  0.698527  1
  Ni  Ni206  1  0.622887  0.978654  0.635788  1
  Ni  Ni207  1  0.022777  0.627158  0.715457  1
  Ni  Ni208  1  0.260942  0.006572  0.648587  1
  Ni  Ni209  1  0.076481  0.864008  0.724858  1
  Ni  Ni210  1  0.321525  0.239035  0.661856  1
  Ni  Ni211  1  0.843901  0.608847  0.632825  1
  Ni  Ni212  1  0.614029  0.232234  0.694488  1
  Ni  Ni213  1  0.742460  0.637863  0.680095  1
  Ni  Ni214  1  0.508869  0.273786  0.739227  1
  Ni  Ni215  1  0.778597  0.481748  0.654874  1
  Ni  Ni216  1  0.538666  0.097564  0.712040  1
  Ni  Ni217  1  0.803522  0.764398  0.656254  1
  Ni  Ni218  1  0.563114  0.386947  0.716357  1
  Ni  Ni219  1  0.054496  0.535612  0.677979  1
  Ni  Ni220  1  0.762829  0.165326  0.736850  1
  Ni  Ni221  1  0.522366  0.710833  0.634294  1
  Ni  Ni222  1  0.269465  0.336624  0.697509  1
  Ni  Ni223  1  0.337894  0.601655  0.745499  1
  Ni  Ni224  1  0.537487  0.980459  0.684049  1
  Ni  Ni225  1  0.802137  0.889573  0.689502  1
  Ni  Ni226  1  0.044982  0.264468  0.627180  1
  Ni  Ni227  1  0.445670  0.852204  0.704473  1
  Ni  Ni228  1  0.693913  0.227029  0.643935  1
  Ni  Ni229  1  0.646048  0.650287  0.727420  1
  Ni  Ni230  1  0.885987  0.019506  0.667342  1
  Ni  Ni231  1  0.693517  0.883735  0.735798  1
  Ni  Ni232  1  0.961955  0.266913  0.675471  1
