# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.70449359
_cell_length_b   16.92758221
_cell_length_c   47.69540720
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   97.56469025
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6966.56561239
_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  0.580950  0.513905  0.283235  1
  Zr  Zr2  1  0.264094  0.098897  0.336804  1
  Zr  Zr3  1  0.697176  0.049586  0.324422  1
  Zr  Zr4  1  0.371827  0.639930  0.378871  1
  Zr  Zr5  1  0.355549  0.858816  0.324676  1
  Zr  Zr6  1  0.021549  0.442037  0.381979  1
  Zr  Zr7  1  0.938974  0.713785  0.279594  1
  Zr  Zr8  1  0.610397  0.291012  0.328565  1
  Zr  Zr9  1  0.736492  0.800801  0.330945  1
  Zr  Zr10  1  0.032657  0.204199  0.281327  1
  Zr  Zr11  1  0.891142  0.934776  0.383807  1
  Zr  Zr12  1  0.207406  0.350862  0.326387  1
  Zr  Zr13  1  0.099160  0.958441  0.289059  1
  Zr  Zr14  1  0.770400  0.547145  0.344116  1
  Zr  Zr15  1  0.176197  0.603965  0.316956  1
  Zr  Zr16  1  0.858884  0.191160  0.372410  1
  Zr  Zr17  1  0.928891  0.682530  0.392550  1
  Zr  Zr18  1  0.605580  0.268524  0.447587  1
  Zr  Zr19  1  0.050477  0.225570  0.434591  1
  Zr  Zr20  1  0.721144  0.810102  0.490376  1
  Zr  Zr21  1  0.700003  0.028763  0.438117  1
  Zr  Zr22  1  0.372202  0.613699  0.493451  1
  Zr  Zr23  1  0.278454  0.878586  0.388220  1
  Zr  Zr24  1  0.953228  0.464437  0.444867  1
  Zr  Zr25  1  0.089589  0.971843  0.443903  1
  Zr  Zr26  1  0.411100  0.385925  0.387871  1
  Zr  Zr27  1  0.240205  0.107219  0.494402  1
  Zr  Zr28  1  0.562957  0.520819  0.438855  1
  Zr  Zr29  1  0.450089  0.130611  0.398893  1
  Zr  Zr30  1  0.121561  0.715414  0.454642  1
  Zr  Zr31  1  0.529367  0.776965  0.427821  1
  Zr  Zr32  1  0.204642  0.363254  0.483849  1
  Zr  Zr33  1  0.279215  0.853652  0.503503  1
  Zr  Zr34  1  0.951348  0.438703  0.559625  1
  Zr  Zr35  1  0.395644  0.395679  0.546528  1
  Zr  Zr36  1  0.071497  0.981288  0.601271  1
  Zr  Zr37  1  0.047614  0.199610  0.549091  1
  Zr  Zr38  1  0.721019  0.784932  0.605560  1
  Zr  Zr39  1  0.628383  0.050284  0.500555  1
  Zr  Zr40  1  0.301012  0.634936  0.556036  1
  Zr  Zr41  1  0.437520  0.143163  0.555077  1
  Zr  Zr42  1  0.760778  0.556819  0.499575  1
  Zr  Zr43  1  0.589182  0.277985  0.605953  1
  Zr  Zr44  1  0.911207  0.691823  0.550160  1
  Zr  Zr45  1  0.796445  0.301124  0.510251  1
  Zr  Zr46  1  0.471039  0.886950  0.566004  1
  Zr  Zr47  1  0.878904  0.948262  0.539247  1
  Zr  Zr48  1  0.551734  0.533424  0.595318  1
  Zr  Zr49  1  0.628845  0.023949  0.614934  1
  Zr  Zr50  1  0.305374  0.614920  0.669512  1
  Zr  Zr51  1  0.740278  0.565076  0.657668  1
  Zr  Zr52  1  0.419749  0.149575  0.710666  1
  Zr  Zr53  1  0.388845  0.372788  0.665433  1
  Zr  Zr54  1  0.061412  0.950462  0.714299  1
  Zr  Zr55  1  0.978874  0.221984  0.611909  1
  Zr  Zr56  1  0.647998  0.805197  0.669114  1
  Zr  Zr57  1  0.791339  0.311755  0.667166  1
  Zr  Zr58  1  0.109863  0.728666  0.610305  1
  Zr  Zr59  1  0.957651  0.451636  0.711838  1
  Zr  Zr60  1  0.264402  0.863217  0.662535  1
  Zr  Zr61  1  0.142490  0.473187  0.622078  1
  Zr  Zr62  1  0.824254  0.059960  0.676856  1
  Zr  Zr63  1  0.230276  0.116415  0.649673  1
  Zr  Zr64  1  0.907466  0.705151  0.704416  1
  Ni  Ni65  1  0.834928  0.011453  0.275734  1
  Ni  Ni66  1  0.478286  0.575165  0.329649  1
  Ni  Ni67  1  0.683280  0.658942  0.304417  1
  Ni  Ni68  1  0.361023  0.247588  0.358747  1
  Ni  Ni69  1  0.617430  0.913014  0.298757  1
  Ni  Ni70  1  0.272099  0.491667  0.354491  1
  Ni  Ni71  1  0.887381  0.562234  0.295262  1
  Ni  Ni72  1  0.566729  0.151399  0.350915  1
  Ni  Ni73  1  0.401501  1.003278  0.307515  1
  Ni  Ni74  1  0.070159  0.587080  0.365366  1
  Ni  Ni75  1  0.002715  0.815296  0.363714  1
  Ni  Ni76  1  0.318380  0.230398  0.305489  1
  Ni  Ni77  1  0.623080  0.916944  0.352716  1
  Ni  Ni78  1  0.922913  0.330785  0.296784  1
  Ni  Ni79  1  0.144721  0.948826  0.343960  1
  Ni  Ni80  1  0.461926  0.364423  0.289003  1
  Ni  Ni81  1  0.840685  0.858077  0.279049  1
  Ni  Ni82  1  0.498237  0.433023  0.334654  1
  Ni  Ni83  1  0.448919  0.714680  0.325095  1
  Ni  Ni84  1  0.125754  0.302085  0.380340  1
  Ni  Ni85  1  0.228323  0.738941  0.294277  1
  Ni  Ni86  1  0.907285  0.324023  0.346461  1
  Ni  Ni87  1  0.042930  0.824707  0.314757  1
  Ni  Ni88  1  0.717221  0.407371  0.366689  1
  Ni  Ni89  1  0.692784  0.048614  0.382382  1
  Ni  Ni90  1  0.014334  0.462611  0.326300  1
  Ni  Ni91  1  0.936461  0.686271  0.333124  1
  Ni  Ni92  1  0.248259  0.102155  0.279998  1
  Ni  Ni93  1  0.429999  1.000999  0.361907  1
  Ni  Ni94  1  0.743895  0.421953  0.310726  1
  Ni  Ni95  1  0.200625  0.735950  0.351198  1
  Ni  Ni96  1  0.521606  0.147508  0.299676  1
  Ni  Ni97  1  0.969389  0.062060  0.357093  1
  Ni  Ni98  1  0.295828  0.479964  0.299502  1
  Ni  Ni99  1  0.659502  0.675369  0.359995  1
  Ni  Ni100  1  0.998795  0.085414  0.309194  1
  Ni  Ni101  1  0.405662  0.626050  0.282613  1
  Ni  Ni102  1  0.078714  0.209141  0.336473  1
  Ni  Ni103  1  0.881120  0.943537  0.324139  1
  Ni  Ni104  1  0.549416  0.527826  0.379432  1
  Ni  Ni105  1  0.485877  0.788647  0.370623  1
  Ni  Ni106  1  0.808947  0.194235  0.316323  1
  Ni  Ni107  1  0.157334  0.162966  0.385490  1
  Ni  Ni108  1  0.825013  0.746251  0.441429  1
  Ni  Ni109  1  0.028200  0.829928  0.416592  1
  Ni  Ni110  1  0.702576  0.415768  0.471858  1
  Ni  Ni111  1  0.951980  0.077858  0.411066  1
  Ni  Ni112  1  0.622510  0.662367  0.466284  1
  Ni  Ni113  1  0.230290  0.735352  0.405586  1
  Ni  Ni114  1  0.906413  0.320339  0.461510  1
  Ni  Ni115  1  0.747196  0.173008  0.420839  1
  Ni  Ni116  1  0.420114  0.758031  0.476766  1
  Ni  Ni117  1  0.357191  0.987504  0.474400  1
  Ni  Ni118  1  0.679864  0.401294  0.417980  1
  Ni  Ni119  1  0.972807  0.091514  0.463830  1
  Ni  Ni120  1  0.294195  0.505316  0.407974  1
  Ni  Ni121  1  0.491015  0.119146  0.455536  1
  Ni  Ni122  1  0.813308  0.532399  0.400150  1
  Ni  Ni123  1  0.182590  0.021115  0.390478  1
  Ni  Ni124  1  0.852668  0.605985  0.446183  1
  Ni  Ni125  1  0.798644  0.886298  0.436736  1
  Ni  Ni126  1  0.472106  0.471980  0.492379  1
  Ni  Ni127  1  0.583735  0.912428  0.403423  1
  Ni  Ni128  1  0.258734  0.499207  0.458490  1
  Ni  Ni129  1  0.394757  0.993971  0.423878  1
  Ni  Ni130  1  0.066200  0.579002  0.479887  1
  Ni  Ni131  1  0.043131  0.221425  0.493057  1
  Ni  Ni132  1  0.366974  0.635543  0.437237  1
  Ni  Ni133  1  0.285390  0.857365  0.444789  1
  Ni  Ni134  1  0.613620  0.272720  0.387677  1
  Ni  Ni135  1  0.777267  0.172764  0.474674  1
  Ni  Ni136  1  0.100555  0.587169  0.418965  1
  Ni  Ni137  1  0.550934  0.905778  0.463369  1
  Ni  Ni138  1  0.876462  0.319918  0.408221  1
  Ni  Ni139  1  0.318218  0.234253  0.466399  1
  Ni  Ni140  1  0.642224  0.647865  0.410784  1
  Ni  Ni141  1  0.009804  0.844573  0.471800  1
  Ni  Ni142  1  0.339217  0.259850  0.415331  1
  Ni  Ni143  1  0.748205  0.793533  0.391762  1
  Ni  Ni144  1  0.424978  0.378897  0.447613  1
  Ni  Ni145  1  0.229305  0.114581  0.434788  1
  Ni  Ni146  1  0.899926  0.699029  0.490662  1
  Ni  Ni147  1  0.837659  0.959711  0.482706  1
  Ni  Ni148  1  0.163078  0.374237  0.426846  1
  Ni  Ni149  1  0.500607  0.332184  0.497042  1
  Ni  Ni150  1  0.175234  0.917482  0.552439  1
  Ni  Ni151  1  0.377942  1.001458  0.527637  1
  Ni  Ni152  1  0.049393  0.586142  0.583304  1
  Ni  Ni153  1  0.298460  0.248466  0.522149  1
  Ni  Ni154  1  0.972103  0.833667  0.577317  1
  Ni  Ni155  1  0.580303  0.905790  0.517099  1
  Ni  Ni156  1  0.254170  0.490976  0.573463  1
  Ni  Ni157  1  0.094733  0.343825  0.532632  1
  Ni  Ni158  1  0.770135  0.928325  0.588231  1
  Ni  Ni159  1  0.706414  0.158679  0.585865  1
  Ni  Ni160  1  0.028249  0.572407  0.530308  1
  Ni  Ni161  1  0.320628  0.262829  0.576000  1
  Ni  Ni162  1  0.643603  0.676410  0.519551  1
  Ni  Ni163  1  0.838073  0.290055  0.567160  1
  Ni  Ni164  1  0.162766  0.703960  0.511283  1
  Ni  Ni165  1  0.528822  0.192269  0.501638  1
  Ni  Ni166  1  0.201775  0.777430  0.557201  1
  Ni  Ni167  1  0.147876  0.057863  0.547728  1
  Ni  Ni168  1  0.818810  0.642713  0.603737  1
  Ni  Ni169  1  0.934288  0.084866  0.514142  1
  Ni  Ni170  1  0.606614  0.669598  0.570124  1
  Ni  Ni171  1  0.742142  0.164989  0.535430  1
  Ni  Ni172  1  0.416581  0.751369  0.590373  1
  Ni  Ni173  1  0.387548  0.391559  0.606447  1
  Ni  Ni174  1  0.715072  0.806343  0.549079  1
  Ni  Ni175  1  0.633592  0.028431  0.556656  1
  Ni  Ni176  1  0.958046  0.442712  0.501028  1
  Ni  Ni177  1  0.124648  0.344302  0.585941  1
  Ni  Ni178  1  0.449440  0.757938  0.530540  1
  Ni  Ni179  1  0.899920  0.076704  0.574867  1
  Ni  Ni180  1  0.224037  0.491339  0.519539  1
  Ni  Ni181  1  0.662203  0.404366  0.578685  1
  Ni  Ni182  1  0.990632  0.819068  0.522132  1
  Ni  Ni183  1  0.358215  0.016025  0.583073  1
  Ni  Ni184  1  0.683132  0.429977  0.527667  1
  Ni  Ni185  1  0.100658  0.964852  0.503270  1
  Ni  Ni186  1  0.772101  0.549336  0.559351  1
  Ni  Ni187  1  0.575877  0.285178  0.546399  1
  Ni  Ni188  1  0.252221  0.870244  0.602029  1
  Ni  Ni189  1  0.187045  0.131571  0.593743  1
  Ni  Ni190  1  0.510500  0.544946  0.538525  1
  Ni  Ni191  1  0.844416  0.501289  0.608733  1
  Ni  Ni192  1  0.521983  0.088397  0.664272  1
  Ni  Ni193  1  0.727926  0.171669  0.639286  1
  Ni  Ni194  1  0.387810  0.753545  0.694316  1
  Ni  Ni195  1  0.639729  0.416409  0.635088  1
  Ni  Ni196  1  0.317174  1.004109  0.689518  1
  Ni  Ni197  1  0.930664  0.076786  0.628457  1
  Ni  Ni198  1  0.601541  0.660806  0.686745  1
  Ni  Ni199  1  0.435787  0.512845  0.643532  1
  Ni  Ni200  1  0.113418  0.101364  0.698553  1
  Ni  Ni201  1  0.078175  0.330397  0.697504  1
  Ni  Ni202  1  0.379873  0.747041  0.641016  1
  Ni  Ni203  1  0.677539  0.432419  0.688041  1
  Ni  Ni204  1  0.997274  0.848488  0.630038  1
  Ni  Ni205  1  0.192221  0.468457  0.678034  1
  Ni  Ni206  1  0.515237  0.875386  0.623133  1
  Ni  Ni207  1  0.875272  0.362258  0.613700  1
  Ni  Ni208  1  0.551802  0.948735  0.668792  1
  Ni  Ni209  1  0.501563  0.230454  0.659136  1
  Ni  Ni210  1  0.163992  0.811010  0.713463  1
  Ni  Ni211  1  0.282115  0.256938  0.627274  1
  Ni  Ni212  1  0.958037  0.839577  0.678985  1
  Ni  Ni213  1  0.091078  0.340103  0.647966  1
  Ni  Ni214  1  0.772792  0.925442  0.699574  1
  Ni  Ni215  1  0.753783  0.560203  0.713676  1
  Ni  Ni216  1  0.064203  0.977522  0.660729  1
  Ni  Ni217  1  0.986318  0.200507  0.667429  1
  Ni  Ni218  1  0.308244  0.615244  0.612024  1
  Ni  Ni219  1  0.478496  0.517056  0.694700  1
  Ni  Ni220  1  0.800137  0.928145  0.642551  1
  Ni  Ni221  1  0.257196  0.241034  0.683114  1
  Ni  Ni222  1  0.571942  0.662284  0.632496  1
  Ni  Ni223  1  0.013753  0.578928  0.686854  1
  Ni  Ni224  1  0.341462  0.988498  0.633799  1
  Ni  Ni225  1  0.704541  0.183463  0.694349  1
  Ni  Ni226  1  0.031272  0.601822  0.637956  1
  Ni  Ni227  1  0.450907  0.136027  0.614411  1
  Ni  Ni228  1  0.121579  0.721852  0.668886  1
  Ni  Ni229  1  0.921763  0.455578  0.657835  1
  Ni  Ni230  1  0.594999  0.037688  0.711274  1
  Ni  Ni231  1  0.538631  0.298819  0.704968  1
  Ni  Ni232  1  0.856503  0.715603  0.649937  1
