# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85226744
_cell_length_b   16.34554514
_cell_length_c   49.45572210
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.59336273
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7075.6670288
_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  0.242576  0.225041  0.366103  1
  Zr  Zr2  1  0.023481  0.714141  0.311321  1
  Zr  Zr3  1  0.313907  0.482098  0.372149  1
  Zr  Zr4  1  0.123114  0.961997  0.316134  1
  Zr  Zr5  1  0.470488  0.381318  0.303425  1
  Zr  Zr6  1  0.651887  0.891375  0.352226  1
  Zr  Zr7  1  0.707167  0.287093  0.327373  1
  Zr  Zr8  1  0.893738  0.816032  0.382945  1
  Zr  Zr9  1  0.825609  0.119669  0.362729  1
  Zr  Zr10  1  0.624864  0.601756  0.308653  1
  Zr  Zr11  1  0.729636  0.588028  0.374181  1
  Zr  Zr12  1  0.554798  0.073055  0.317965  1
  Zr  Zr13  1  0.143218  0.227739  0.301057  1
  Zr  Zr14  1  0.317001  0.749545  0.355444  1
  Zr  Zr15  1  0.026746  0.437507  0.328587  1
  Zr  Zr16  1  0.228116  0.957158  0.383049  1
  Zr  Zr17  1  0.636000  0.260484  0.476972  1
  Zr  Zr18  1  0.433332  0.743870  0.421448  1
  Zr  Zr19  1  0.713074  0.516598  0.483462  1
  Zr  Zr20  1  0.521001  0.998075  0.426984  1
  Zr  Zr21  1  0.852577  0.410575  0.411038  1
  Zr  Zr22  1  0.054084  0.928035  0.466381  1
  Zr  Zr23  1  0.100577  0.331254  0.437857  1
  Zr  Zr24  1  0.299411  0.849781  0.494007  1
  Zr  Zr25  1  0.220416  0.154442  0.475274  1
  Zr  Zr26  1  0.017777  0.637488  0.420155  1
  Zr  Zr27  1  0.131558  0.622116  0.484688  1
  Zr  Zr28  1  0.933740  0.104487  0.428894  1
  Zr  Zr29  1  0.529397  0.267063  0.410521  1
  Zr  Zr30  1  0.724234  0.785648  0.466206  1
  Zr  Zr31  1  0.425117  0.474359  0.438530  1
  Zr  Zr32  1  0.627490  0.992026  0.494006  1
  Zr  Zr33  1  0.030709  0.296234  0.588784  1
  Zr  Zr34  1  0.838499  0.777737  0.532387  1
  Zr  Zr35  1  0.118217  0.550528  0.594399  1
  Zr  Zr36  1  0.915454  0.033825  0.538894  1
  Zr  Zr37  1  0.252109  0.444573  0.521846  1
  Zr  Zr38  1  0.451061  0.963129  0.578047  1
  Zr  Zr39  1  0.497441  0.366298  0.549459  1
  Zr  Zr40  1  0.698923  0.883635  0.604826  1
  Zr  Zr41  1  0.617698  0.189738  0.586848  1
  Zr  Zr42  1  0.420081  0.672295  0.531173  1
  Zr  Zr43  1  0.533894  0.656900  0.595711  1
  Zr  Zr44  1  0.330920  0.139785  0.540577  1
  Zr  Zr45  1  0.924013  0.302310  0.521814  1
  Zr  Zr46  1  0.126494  0.820005  0.577373  1
  Zr  Zr47  1  0.827311  0.508720  0.549648  1
  Zr  Zr48  1  0.022158  0.026997  0.605343  1
  Zr  Zr49  1  0.429423  0.331305  0.698819  1
  Zr  Zr50  1  0.238039  0.812270  0.643765  1
  Zr  Zr51  1  0.528270  0.579475  0.704547  1
  Zr  Zr52  1  0.308013  0.069575  0.649830  1
  Zr  Zr53  1  0.657698  0.478214  0.632921  1
  Zr  Zr54  1  0.842480  0.006836  0.688326  1
  Zr  Zr55  1  0.900572  0.403384  0.663534  1
  Zr  Zr56  1  0.081862  0.913854  0.712480  1
  Zr  Zr57  1  -0.001774  0.221036  0.698005  1
  Zr  Zr58  1  0.822032  0.706284  0.641751  1
  Zr  Zr59  1  0.926770  0.692216  0.707223  1
  Zr  Zr60  1  0.726443  0.174629  0.653001  1
  Zr  Zr61  1  0.323532  0.337000  0.632694  1
  Zr  Zr62  1  0.524869  0.857175  0.687479  1
  Zr  Zr63  1  0.234555  0.545185  0.660314  1
  Zr  Zr64  1  0.407692  0.066869  0.714566  1
  Ni  Ni65  1  0.013269  0.076064  0.283740  1
  Ni  Ni66  1  0.169823  0.597444  0.340650  1
  Ni  Ni67  1  0.847182  0.162876  0.308010  1
  Ni  Ni68  1  0.013816  0.681954  0.366444  1
  Ni  Ni69  1  0.327767  0.509558  0.314940  1
  Ni  Ni70  1  0.538189  0.025811  0.370654  1
  Ni  Ni71  1  0.925134  0.319954  0.293667  1
  Ni  Ni72  1  0.106054  0.835141  0.347166  1
  Ni  Ni73  1  0.250691  0.354913  0.336446  1
  Ni  Ni74  1  0.453439  0.873308  0.390619  1
  Ni  Ni75  1  0.995196  0.232847  0.395899  1
  Ni  Ni76  1  0.781960  0.716750  0.340667  1
  Ni  Ni77  1  0.559509  0.478220  0.342213  1
  Ni  Ni78  1  0.379363  0.965463  0.289229  1
  Ni  Ni79  1  0.406917  0.223262  0.322298  1
  Ni  Ni80  1  0.590322  0.736293  0.376691  1
  Ni  Ni81  1  0.548753  0.178820  0.361079  1
  Ni  Ni82  1  0.336327  0.661922  0.303711  1
  Ni  Ni83  1  0.002681  0.526880  0.377121  1
  Ni  Ni84  1  0.823696  0.009142  0.318367  1
  Ni  Ni85  1  0.779541  0.424130  0.357283  1
  Ni  Ni86  1  0.602433  0.896461  0.301646  1
  Ni  Ni87  1  0.773126  0.280947  0.378842  1
  Ni  Ni88  1  0.549577  0.756440  0.324710  1
  Ni  Ni89  1  0.580083  0.438583  0.394682  1
  Ni  Ni90  1  0.385101  0.925604  0.338707  1
  Ni  Ni91  1  0.981334  0.266799  0.343116  1
  Ni  Ni92  1  0.737944  0.762106  0.291342  1
  Ni  Ni93  1  0.504459  0.335358  0.359564  1
  Ni  Ni94  1  0.316085  0.819896  0.305998  1
  Ni  Ni95  1  0.055405  0.372720  0.377698  1
  Ni  Ni96  1  0.866634  0.856896  0.322803  1
  Ni  Ni97  1  0.083068  0.562851  0.293758  1
  Ni  Ni98  1  0.309487  0.079236  0.346845  1
  Ni  Ni99  1  0.064493  0.106853  0.333990  1
  Ni  Ni100  1  0.249560  0.627086  0.390277  1
  Ni  Ni101  1  0.887625  0.571853  0.332304  1
  Ni  Ni102  1  0.094291  0.087035  0.386555  1
  Ni  Ni103  1  0.283333  0.098786  0.297829  1
  Ni  Ni104  1  0.455279  0.618856  0.350214  1
  Ni  Ni105  1  0.763357  0.456319  0.306013  1
  Ni  Ni106  1  0.957938  0.971599  0.360300  1
  Ni  Ni107  1  0.379626  0.110603  0.397032  1
  Ni  Ni108  1  0.573691  0.630544  0.452344  1
  Ni  Ni109  1  0.222344  0.198117  0.422207  1
  Ni  Ni110  1  0.417600  0.716380  0.478240  1
  Ni  Ni111  1  0.730405  0.543662  0.426920  1
  Ni  Ni112  1  0.933363  0.061029  0.482369  1
  Ni  Ni113  1  0.306551  0.350465  0.401248  1
  Ni  Ni114  1  0.501761  0.868820  0.457404  1
  Ni  Ni115  1  0.649031  0.391456  0.447623  1
  Ni  Ni116  1  0.850648  0.908965  0.503230  1
  Ni  Ni117  1  0.391540  0.268585  0.507204  1
  Ni  Ni118  1  0.192693  0.751935  0.451566  1
  Ni  Ni119  1  0.955583  0.508357  0.453486  1
  Ni  Ni120  1  0.762689  0.989206  0.396313  1
  Ni  Ni121  1  0.798505  0.253381  0.431964  1
  Ni  Ni122  1  0.997233  0.770428  0.487498  1
  Ni  Ni123  1  0.947228  0.214323  0.471422  1
  Ni  Ni124  1  0.744469  0.697609  0.416018  1
  Ni  Ni125  1  0.403795  0.562259  0.488795  1
  Ni  Ni126  1  0.206844  0.044992  0.432948  1
  Ni  Ni127  1  0.182830  0.461458  0.469640  1
  Ni  Ni128  1  0.988001  0.944415  0.414161  1
  Ni  Ni129  1  0.166342  0.315333  0.490461  1
  Ni  Ni130  1  0.965212  0.798158  0.435130  1
  Ni  Ni131  1  0.978650  0.473191  0.505600  1
  Ni  Ni132  1  0.781752  0.956291  0.449719  1
  Ni  Ni133  1  0.372803  0.303077  0.454476  1
  Ni  Ni134  1  0.167726  0.787570  0.399293  1
  Ni  Ni135  1  0.899524  0.368114  0.471548  1
  Ni  Ni136  1  0.695793  0.851743  0.416505  1
  Ni  Ni137  1  0.451853  0.407860  0.488387  1
  Ni  Ni138  1  0.255320  0.891604  0.432799  1
  Ni  Ni139  1  0.495143  0.597179  0.403100  1
  Ni  Ni140  1  0.700123  0.115124  0.458475  1
  Ni  Ni141  1  0.455233  0.143695  0.445946  1
  Ni  Ni142  1  0.652703  0.662473  0.501704  1
  Ni  Ni143  1  0.291071  0.605749  0.442486  1
  Ni  Ni144  1  0.491342  0.122659  0.498145  1
  Ni  Ni145  1  0.665323  0.135619  0.406105  1
  Ni  Ni146  1  0.857601  0.654428  0.462428  1
  Ni  Ni147  1  0.152531  0.489880  0.417252  1
  Ni  Ni148  1  0.358038  0.005819  0.472136  1
  Ni  Ni149  1  0.775722  0.147153  0.507914  1
  Ni  Ni150  1  0.977922  0.663850  0.563523  1
  Ni  Ni151  1  0.618036  0.233271  0.533461  1
  Ni  Ni152  1  0.821258  0.750664  0.588962  1
  Ni  Ni153  1  0.133988  0.578008  0.537620  1
  Ni  Ni154  1  0.328942  0.096177  0.593649  1
  Ni  Ni155  1  0.700906  0.385374  0.512615  1
  Ni  Ni156  1  0.902364  0.902800  0.568221  1
  Ni  Ni157  1  0.049810  0.425575  0.558443  1
  Ni  Ni158  1  0.245592  0.943875  0.614721  1
  Ni  Ni159  1  0.789400  0.305082  0.619411  1
  Ni  Ni160  1  0.596076  0.786022  0.562376  1
  Ni  Ni161  1  0.358905  0.542453  0.564272  1
  Ni  Ni162  1  0.159899  0.025676  0.508639  1
  Ni  Ni163  1  0.193554  0.288449  0.543667  1
  Ni  Ni164  1  0.399101  0.804495  0.598637  1
  Ni  Ni165  1  0.344673  0.249298  0.582881  1
  Ni  Ni166  1  0.147786  0.732106  0.527078  1
  Ni  Ni167  1  0.807055  0.596748  0.599859  1
  Ni  Ni168  1  0.604296  0.079941  0.544390  1
  Ni  Ni169  1  0.586384  0.496252  0.580700  1
  Ni  Ni170  1  0.385177  0.978976  0.525389  1
  Ni  Ni171  1  0.563924  0.349881  0.601585  1
  Ni  Ni172  1  0.368729  0.832909  0.546243  1
  Ni  Ni173  1  0.383919  0.506816  0.616537  1
  Ni  Ni174  1  0.178733  0.991139  0.561383  1
  Ni  Ni175  1  0.769853  0.338066  0.566090  1
  Ni  Ni176  1  0.572884  0.821202  0.510253  1
  Ni  Ni177  1  0.296334  0.402766  0.583031  1
  Ni  Ni178  1  0.099631  0.886436  0.527476  1
  Ni  Ni179  1  0.855800  0.442657  0.599327  1
  Ni  Ni180  1  0.651897  0.926230  0.544301  1
  Ni  Ni181  1  0.898882  0.631878  0.514155  1
  Ni  Ni182  1  0.096175  0.150550  0.569905  1
  Ni  Ni183  1  0.851338  0.179201  0.557328  1
  Ni  Ni184  1  0.056526  0.697166  0.612798  1
  Ni  Ni185  1  0.694039  0.639949  0.553438  1
  Ni  Ni186  1  0.886343  0.158640  0.609652  1
  Ni  Ni187  1  0.060030  0.171617  0.517698  1
  Ni  Ni188  1  0.260574  0.688643  0.573375  1
  Ni  Ni189  1  0.554360  0.523947  0.528359  1
  Ni  Ni190  1  0.752810  0.040948  0.583921  1
  Ni  Ni191  1  0.171398  0.183718  0.618785  1
  Ni  Ni192  1  0.382006  0.696995  0.675259  1
  Ni  Ni193  1  0.012999  0.268505  0.645258  1
  Ni  Ni194  1  0.223910  0.784791  0.701028  1
  Ni  Ni195  1  0.537807  0.612293  0.649440  1
  Ni  Ni196  1  0.703681  0.132284  0.707775  1
  Ni  Ni197  1  0.098471  0.420969  0.625129  1
  Ni  Ni198  1  0.301056  0.939458  0.679391  1
  Ni  Ni199  1  0.445139  0.458942  0.668702  1
  Ni  Ni200  1  0.625540  0.975375  0.722227  1
  Ni  Ni201  1  0.175048  0.328924  0.726460  1
  Ni  Ni202  1  0.992611  0.816228  0.673716  1
  Ni  Ni203  1  0.769742  0.577264  0.675214  1
  Ni  Ni204  1  0.555626  0.061633  0.620029  1
  Ni  Ni205  1  0.594694  0.322785  0.655181  1
  Ni  Ni206  1  0.789064  0.837917  0.709722  1
  Ni  Ni207  1  0.730122  0.285349  0.696731  1
  Ni  Ni208  1  0.548872  0.767428  0.638805  1
  Ni  Ni209  1  0.215680  0.632121  0.712144  1
  Ni  Ni210  1  0.002359  0.115425  0.654766  1
  Ni  Ni211  1  0.002570  0.537824  0.691183  1
  Ni  Ni212  1  0.777947  0.013434  0.636958  1
  Ni  Ni213  1  0.950610  0.397178  0.714033  1
  Ni  Ni214  1  0.772005  0.869965  0.658508  1
  Ni  Ni215  1  0.813723  0.531217  0.724456  1
  Ni  Ni216  1  0.569519  0.028373  0.672731  1
  Ni  Ni217  1  0.167312  0.368080  0.677097  1
  Ni  Ni218  1  0.971724  0.855663  0.621226  1
  Ni  Ni219  1  0.684715  0.436893  0.692934  1
  Ni  Ni220  1  0.497027  0.921719  0.638357  1
  Ni  Ni221  1  0.236775  0.473994  0.709592  1
  Ni  Ni222  1  0.047012  0.958999  0.656379  1
  Ni  Ni223  1  0.302205  0.667444  0.625580  1
  Ni  Ni224  1  0.487624  0.187245  0.681169  1
  Ni  Ni225  1  0.241775  0.214974  0.668948  1
  Ni  Ni226  1  0.468546  0.731077  0.722129  1
  Ni  Ni227  1  0.096507  0.675608  0.665704  1
  Ni  Ni228  1  0.273089  0.196308  0.717805  1
  Ni  Ni229  1  0.457019  0.207392  0.629292  1
  Ni  Ni230  1  0.663813  0.722282  0.683614  1
  Ni  Ni231  1  0.961276  0.558281  0.639179  1
  Ni  Ni232  1  0.143683  0.071668  0.693684  1
