# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50078353
_cell_length_b   15.79261323
_cell_length_c   53.76733372
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.36537398
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr48 Ni126'
_cell_volume   5515.28562468
_cell_formula_units_Z   6
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  0.010020  0.980513  0.393723  1
  Zr  Zr2  1  0.749859  0.392799  0.320989  1
  Zr  Zr3  1  0.854648  0.505325  0.390931  1
  Zr  Zr4  1  0.592778  0.918037  0.320142  1
  Zr  Zr5  1  0.495467  0.643227  0.340445  1
  Zr  Zr6  1  0.767332  0.231067  0.409515  1
  Zr  Zr7  1  0.838074  0.670988  0.302426  1
  Zr  Zr8  1  0.115418  0.258755  0.372031  1
  Zr  Zr9  1  0.686055  0.776005  0.392941  1
  Zr  Zr10  1  0.422879  0.188403  0.322568  1
  Zr  Zr11  1  0.182562  0.713973  0.391419  1
  Zr  Zr12  1  0.929212  0.126924  0.321960  1
  Zr  Zr13  1  0.237748  0.459474  0.320070  1
  Zr  Zr14  1  0.508361  0.044645  0.392998  1
  Zr  Zr15  1  0.106123  0.854407  0.319169  1
  Zr  Zr16  1  0.356362  0.443652  0.391709  1
  Zr  Zr17  1  0.526970  0.163106  0.536618  1
  Zr  Zr18  1  0.267709  0.571915  0.465331  1
  Zr  Zr19  1  0.378107  0.690266  0.533403  1
  Zr  Zr20  1  0.118419  0.098688  0.461969  1
  Zr  Zr21  1  0.020643  0.821775  0.481426  1
  Zr  Zr22  1  0.276365  0.413131  0.553142  1
  Zr  Zr23  1  0.369274  0.848887  0.445411  1
  Zr  Zr24  1  0.625291  0.440227  0.517250  1
  Zr  Zr25  1  0.206103  0.958208  0.535783  1
  Zr  Zr26  1  0.944778  0.366690  0.464194  1
  Zr  Zr27  1  0.700974  0.895210  0.534509  1
  Zr  Zr28  1  0.439265  0.303699  0.462844  1
  Zr  Zr29  1  0.766132  0.635352  0.463982  1
  Zr  Zr30  1  0.025235  0.226901  0.535534  1
  Zr  Zr31  1  0.620159  0.034996  0.463030  1
  Zr  Zr32  1  0.879724  0.626698  0.534708  1
  Zr  Zr33  1  0.052173  0.342896  0.678493  1
  Zr  Zr34  1  0.790669  0.756357  0.607860  1
  Zr  Zr35  1  0.895845  0.869563  0.676865  1
  Zr  Zr36  1  0.635265  0.281701  0.604754  1
  Zr  Zr37  1  0.532990  0.003498  0.626898  1
  Zr  Zr38  1  0.804267  0.590727  0.696236  1
  Zr  Zr39  1  0.878727  0.030854  0.588951  1
  Zr  Zr40  1  0.148501  0.619228  0.658561  1
  Zr  Zr41  1  0.715911  0.134974  0.676395  1
  Zr  Zr42  1  0.462721  0.547913  0.607243  1
  Zr  Zr43  1  0.227613  0.073138  0.675918  1
  Zr  Zr44  1  0.959080  0.485837  0.605681  1
  Zr  Zr45  1  0.289365  0.818466  0.607175  1
  Zr  Zr46  1  0.538916  0.406790  0.679388  1
  Zr  Zr47  1  0.136924  0.217292  0.605570  1
  Zr  Zr48  1  0.407135  0.801759  0.678013  1
  Ni  Ni49  1  0.037712  0.362882  0.282712  1
  Ni  Ni50  1  0.301917  0.949913  0.355485  1
  Ni  Ni51  1  0.350313  0.876418  0.396014  1
  Ni  Ni52  1  0.086473  0.291725  0.322399  1
  Ni  Ni53  1  0.514432  0.611675  0.388300  1
  Ni  Ni54  1  0.260829  0.026734  0.315595  1
  Ni  Ni55  1  0.779192  0.824362  0.289178  1
  Ni  Ni56  1  0.023812  0.407689  0.358166  1
  Ni  Ni57  1  0.571022  0.491841  0.352928  1
  Ni  Ni58  1  0.839462  0.081860  0.425105  1
  Ni  Ni59  1  0.018667  0.836787  0.418553  1
  Ni  Ni60  1  0.758192  0.248657  0.346120  1
  Ni  Ni61  1  0.848076  0.652001  0.366422  1
  Ni  Ni62  1  0.611441  0.071516  0.296116  1
  Ni  Ni63  1  0.583428  0.532058  0.304018  1
  Ni  Ni64  1  0.849586  0.115333  0.372979  1
  Ni  Ni65  1  0.937900  0.514826  0.287550  1
  Ni  Ni66  1  0.208561  0.097505  0.358053  1
  Ni  Ni67  1  0.401513  0.800434  0.354602  1
  Ni  Ni68  1  0.662244  0.386914  0.426605  1
  Ni  Ni69  1  0.109615  0.701841  0.338687  1
  Ni  Ni70  1  0.375809  0.289691  0.410010  1
  Ni  Ni71  1  0.227638  0.615720  0.303100  1
  Ni  Ni72  1  0.493203  0.197853  0.373714  1
  Ni  Ni73  1  0.188394  0.564268  0.363543  1
  Ni  Ni74  1  0.921424  0.979922  0.294722  1
  Ni  Ni75  1  0.673961  0.924698  0.420900  1
  Ni  Ni76  1  0.414683  0.336838  0.347001  1
  Ni  Ni77  1  0.911364  0.549906  0.333323  1
  Ni  Ni78  1  0.175523  0.138707  0.404603  1
  Ni  Ni79  1  0.443807  0.757153  0.308060  1
  Ni  Ni80  1  0.682440  0.351513  0.378874  1
  Ni  Ni81  1  0.192931  0.573656  0.415789  1
  Ni  Ni82  1  0.933891  0.982980  0.343418  1
  Ni  Ni83  1  0.671408  0.915742  0.368583  1
  Ni  Ni84  1  0.410979  0.330993  0.296492  1
  Ni  Ni85  1  0.027807  0.840054  0.367220  1
  Ni  Ni86  1  0.754834  0.248542  0.295977  1
  Ni  Ni87  1  0.838239  0.649319  0.416200  1
  Ni  Ni88  1  0.583048  0.061236  0.344349  1
  Ni  Ni89  1  0.765215  0.784483  0.338910  1
  Ni  Ni90  1  0.023069  0.372033  0.411427  1
  Ni  Ni91  1  0.562184  0.538415  0.428080  1
  Ni  Ni92  1  0.822669  0.130946  0.499262  1
  Ni  Ni93  1  0.871389  0.057574  0.539471  1
  Ni  Ni94  1  0.610947  0.465802  0.467964  1
  Ni  Ni95  1  0.035071  0.796109  0.530766  1
  Ni  Ni96  1  0.773999  0.204475  0.459075  1
  Ni  Ni97  1  0.287556  0.997500  0.430971  1
  Ni  Ni98  1  0.548603  0.588840  0.502283  1
  Ni  Ni99  1  0.097307  0.673257  0.496434  1
  Ni  Ni100  1  0.357201  0.264464  0.567568  1
  Ni  Ni101  1  0.536469  0.019293  0.561071  1
  Ni  Ni102  1  0.277269  0.427846  0.489979  1
  Ni  Ni103  1  0.368558  0.834204  0.508713  1
  Ni  Ni104  1  0.109154  0.242329  0.437552  1
  Ni  Ni105  1  0.105127  0.705815  0.444291  1
  Ni  Ni106  1  0.363667  0.296926  0.515727  1
  Ni  Ni107  1  0.463649  0.690680  0.428993  1
  Ni  Ni108  1  0.721525  0.282565  0.500306  1
  Ni  Ni109  1  0.923892  0.979294  0.498303  1
  Ni  Ni110  1  0.182038  0.571218  0.569709  1
  Ni  Ni111  1  0.637744  0.882061  0.481775  1
  Ni  Ni112  1  0.896364  0.473546  0.553067  1
  Ni  Ni113  1  0.749393  0.788508  0.445560  1
  Ni  Ni114  1  0.007679  0.379861  0.516843  1
  Ni  Ni115  1  0.714158  0.746096  0.506147  1
  Ni  Ni116  1  0.455720  0.154908  0.434360  1
  Ni  Ni117  1  0.189975  0.106918  0.564228  1
  Ni  Ni118  1  0.931726  0.515923  0.492539  1
  Ni  Ni119  1  0.436596  0.728197  0.476274  1
  Ni  Ni120  1  0.696006  0.319328  0.547663  1
  Ni  Ni121  1  0.949077  0.942490  0.450955  1
  Ni  Ni122  1  0.209202  0.533978  0.522377  1
  Ni  Ni123  1  0.714597  0.756821  0.558765  1
  Ni  Ni124  1  0.454017  0.164672  0.487114  1
  Ni  Ni125  1  0.191435  0.097168  0.511467  1
  Ni  Ni126  1  0.931138  0.505072  0.439933  1
  Ni  Ni127  1  0.549093  0.020718  0.510877  1
  Ni  Ni128  1  0.287699  0.429251  0.439631  1
  Ni  Ni129  1  0.358278  0.832880  0.559195  1
  Ni  Ni130  1  0.096335  0.241074  0.487717  1
  Ni  Ni131  1  0.281790  0.964978  0.482847  1
  Ni  Ni132  1  0.540485  0.556321  0.554362  1
  Ni  Ni133  1  0.083533  0.723482  0.570704  1
  Ni  Ni134  1  0.342614  0.312292  0.643069  1
  Ni  Ni135  1  0.384076  0.234969  0.682964  1
  Ni  Ni136  1  0.130867  0.650029  0.610489  1
  Ni  Ni137  1  0.562101  0.968078  0.677280  1
  Ni  Ni138  1  0.294718  0.385689  0.602556  1
  Ni  Ni139  1  0.806246  0.180096  0.573472  1
  Ni  Ni140  1  0.074905  0.770250  0.645777  1
  Ni  Ni141  1  0.620263  0.854150  0.640452  1
  Ni  Ni142  1  0.865883  0.437123  0.709318  1
  Ni  Ni143  1  0.033539  0.188127  0.702436  1
  Ni  Ni144  1  0.796970  0.609367  0.632313  1
  Ni  Ni145  1  0.889446  0.013857  0.652549  1
  Ni  Ni146  1  0.626632  0.425346  0.580010  1
  Ni  Ni147  1  0.623446  0.889844  0.587439  1
  Ni  Ni148  1  0.879799  0.477106  0.659810  1
  Ni  Ni149  1  0.983627  0.874936  0.572087  1
  Ni  Ni150  1  0.243009  0.461802  0.644033  1
  Ni  Ni151  1  0.437040  0.165192  0.640337  1
  Ni  Ni152  1  0.707082  0.747322  0.710727  1
  Ni  Ni153  1  0.153213  0.063937  0.624802  1
  Ni  Ni154  1  0.416331  0.647213  0.695660  1
  Ni  Ni155  1  0.270736  0.972103  0.588696  1
  Ni  Ni156  1  0.534384  0.560183  0.660092  1
  Ni  Ni157  1  0.232954  0.925101  0.651448  1
  Ni  Ni158  1  0.971597  0.337326  0.577614  1
  Ni  Ni159  1  0.724422  0.281241  0.703835  1
  Ni  Ni160  1  0.456559  0.697251  0.635180  1
  Ni  Ni161  1  0.961987  0.910425  0.619842  1
  Ni  Ni162  1  0.202318  0.504285  0.690598  1
  Ni  Ni163  1  0.470301  0.123085  0.593949  1
  Ni  Ni164  1  0.734606  0.712204  0.665248  1
  Ni  Ni165  1  0.224110  0.928167  0.700791  1
  Ni  Ni166  1  0.973817  0.346156  0.630021  1
  Ni  Ni167  1  0.711276  0.278985  0.655088  1
  Ni  Ni168  1  0.452480  0.688354  0.582946  1
  Ni  Ni169  1  0.062490  0.199955  0.654263  1
  Ni  Ni170  1  0.807385  0.612530  0.582466  1
  Ni  Ni171  1  0.902085  0.017595  0.701658  1
  Ni  Ni172  1  0.617113  0.422031  0.631384  1
  Ni  Ni173  1  0.796061  0.146845  0.625456  1
  Ni  Ni174  1  0.061444  0.732141  0.694748  1
