# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.47036374
_cell_length_b   12.01730154
_cell_length_c   50.56768256
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.20717070
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   7074.23602125
_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  0.027892  0.299541  0.356899  1
  Zr  Zr2  1  0.526457  0.523547  0.301002  1
  Zr  Zr3  1  0.345086  0.739598  0.370264  1
  Zr  Zr4  1  0.841620  0.966205  0.313945  1
  Zr  Zr5  1  0.015887  0.866453  0.380353  1
  Zr  Zr6  1  0.507404  0.084919  0.326106  1
  Zr  Zr7  1  0.354924  0.174135  0.348453  1
  Zr  Zr8  1  0.858418  0.413142  0.293555  1
  Zr  Zr9  1  0.295639  0.802533  0.287676  1
  Zr  Zr10  1  0.797925  0.581360  0.341770  1
  Zr  Zr11  1  0.077468  0.689664  0.331026  1
  Zr  Zr12  1  0.583490  0.467881  0.386039  1
  Zr  Zr13  1  0.251517  0.418823  0.312801  1
  Zr  Zr14  1  0.750410  0.201643  0.367835  1
  Zr  Zr15  1  0.134518  0.076576  0.305086  1
  Zr  Zr16  1  0.624572  0.833617  0.359669  1
  Zr  Zr17  1  0.038810  0.861877  0.468256  1
  Zr  Zr18  1  0.533657  0.079053  0.413045  1
  Zr  Zr19  1  0.357027  0.307089  0.481349  1
  Zr  Zr20  1  0.851090  0.524174  0.425868  1
  Zr  Zr21  1  0.029526  0.433752  0.492087  1
  Zr  Zr22  1  0.522815  0.648290  0.436569  1
  Zr  Zr23  1  0.367538  0.735034  0.457315  1
  Zr  Zr24  1  0.862005  0.953875  0.401924  1
  Zr  Zr25  1  0.297945  0.352983  0.396944  1
  Zr  Zr26  1  0.801384  0.134634  0.452637  1
  Zr  Zr27  1  0.089286  0.251540  0.441420  1
  Zr  Zr28  1  0.595412  0.034732  0.497075  1
  Zr  Zr29  1  0.256948  0.984024  0.424585  1
  Zr  Zr30  1  0.762414  0.767462  0.479935  1
  Zr  Zr31  1  0.128586  0.619912  0.414731  1
  Zr  Zr32  1  0.633596  0.401321  0.469817  1
  Zr  Zr33  1  0.050628  0.427420  0.579166  1
  Zr  Zr34  1  0.545158  0.644947  0.523829  1
  Zr  Zr35  1  0.368057  0.873054  0.592036  1
  Zr  Zr36  1  0.863161  0.090178  0.536953  1
  Zr  Zr37  1  0.038706  0.998652  0.603712  1
  Zr  Zr38  1  0.534197  0.216900  0.547852  1
  Zr  Zr39  1  0.378783  0.303463  0.568695  1
  Zr  Zr40  1  0.872389  0.518022  0.512979  1
  Zr  Zr41  1  0.306442  0.917128  0.508045  1
  Zr  Zr42  1  0.812468  0.699991  0.563695  1
  Zr  Zr43  1  0.100517  0.817029  0.552526  1
  Zr  Zr44  1  0.603861  0.598824  0.608226  1
  Zr  Zr45  1  0.268466  0.550562  0.535288  1
  Zr  Zr46  1  0.773148  0.331069  0.590342  1
  Zr  Zr47  1  0.139696  0.184401  0.525273  1
  Zr  Zr48  1  0.644689  0.967790  0.580522  1
  Zr  Zr49  1  0.060744  0.984344  0.691157  1
  Zr  Zr50  1  0.557053  0.211262  0.634992  1
  Zr  Zr51  1  0.375780  0.427825  0.704020  1
  Zr  Zr52  1  0.873960  0.653154  0.648147  1
  Zr  Zr53  1  0.042155  0.535214  0.711176  1
  Zr  Zr54  1  0.546262  0.777769  0.656715  1
  Zr  Zr55  1  0.392016  0.865452  0.678900  1
  Zr  Zr56  1  0.886680  0.086767  0.625885  1
  Zr  Zr57  1  0.318627  0.484393  0.618976  1
  Zr  Zr58  1  0.825022  0.260802  0.674122  1
  Zr  Zr59  1  0.101506  0.366892  0.663310  1
  Zr  Zr60  1  0.604549  0.148004  0.717582  1
  Zr  Zr61  1  0.277111  0.118342  0.645662  1
  Zr  Zr62  1  0.764657  0.871199  0.700061  1
  Zr  Zr63  1  0.151327  0.749212  0.637074  1
  Zr  Zr64  1  0.650641  0.533536  0.692312  1
  Ni  Ni65  1  0.433578  0.627551  0.334901  1
  Ni  Ni66  1  0.945102  0.880278  0.279941  1
  Ni  Ni67  1  0.407314  0.421048  0.348409  1
  Ni  Ni68  1  0.914600  0.661050  0.292697  1
  Ni  Ni69  1  0.970002  0.621779  0.378906  1
  Ni  Ni70  1  0.463166  0.841070  0.322752  1
  Ni  Ni71  1  0.365858  0.277875  0.305393  1
  Ni  Ni72  1  0.840790  0.059884  0.359852  1
  Ni  Ni73  1  0.031898  0.205151  0.312332  1
  Ni  Ni74  1  0.535365  0.977716  0.367853  1
  Ni  Ni75  1  0.076929  0.611621  0.282626  1
  Ni  Ni76  1  0.562039  0.379526  0.335475  1
  Ni  Ni77  1  0.301066  0.876416  0.335528  1
  Ni  Ni78  1  0.808234  0.660037  0.391350  1
  Ni  Ni79  1  0.061328  0.443911  0.314962  1
  Ni  Ni80  1  0.567041  0.229436  0.370996  1
  Ni  Ni81  1  0.405036  0.662689  0.289096  1
  Ni  Ni82  1  0.911699  0.444049  0.344133  1
  Ni  Ni83  1  0.964023  0.833344  0.325537  1
  Ni  Ni84  1  0.465381  0.597620  0.382850  1
  Ni  Ni85  1  0.170645  0.952289  0.341555  1
  Ni  Ni86  1  0.686119  0.175408  0.293528  1
  Ni  Ni87  1  0.204168  0.088904  0.385331  1
  Ni  Ni88  1  0.703656  0.318949  0.330463  1
  Ni  Ni89  1  0.180657  0.810851  0.380217  1
  Ni  Ni90  1  0.672307  0.020222  0.326909  1
  Ni  Ni91  1  0.195497  0.238367  0.348476  1
  Ni  Ni92  1  0.701595  0.482724  0.296546  1
  Ni  Ni93  1  0.364451  0.004491  0.376573  1
  Ni  Ni94  1  0.856274  0.224037  0.320984  1
  Ni  Ni95  1  0.013809  0.038817  0.349329  1
  Ni  Ni96  1  0.544162  0.265587  0.294117  1
  Ni  Ni97  1  0.116343  0.551801  0.363739  1
  Ni  Ni98  1  0.610127  0.781140  0.308403  1
  Ni  Ni99  1  0.256729  0.485563  0.362939  1
  Ni  Ni100  1  0.757456  0.717353  0.306788  1
  Ni  Ni101  1  0.117255  0.850700  0.292919  1
  Ni  Ni102  1  0.615761  0.621348  0.346064  1
  Ni  Ni103  1  0.253054  0.635180  0.324215  1
  Ni  Ni104  1  0.760678  0.418874  0.380173  1
  Ni  Ni105  1  0.314009  0.037339  0.300289  1
  Ni  Ni106  1  0.808142  0.813053  0.355048  1
  Ni  Ni107  1  0.445356  0.192333  0.447661  1
  Ni  Ni108  1  0.939489  0.408541  0.391655  1
  Ni  Ni109  1  0.415972  0.979618  0.461408  1
  Ni  Ni110  1  0.910348  0.197719  0.405795  1
  Ni  Ni111  1  0.980238  0.188544  0.488378  1
  Ni  Ni112  1  0.474362  0.404677  0.433136  1
  Ni  Ni113  1  0.344723  0.840238  0.415880  1
  Ni  Ni114  1  0.848953  0.622696  0.471544  1
  Ni  Ni115  1  0.040878  0.765190  0.422671  1
  Ni  Ni116  1  0.547038  0.546205  0.478311  1
  Ni  Ni117  1  0.071756  0.164315  0.391434  1
  Ni  Ni118  1  0.577358  0.945095  0.447452  1
  Ni  Ni119  1  0.312946  0.440568  0.446653  1
  Ni  Ni120  1  0.819436  0.224172  0.502239  1
  Ni  Ni121  1  0.073108  0.013105  0.426557  1
  Ni  Ni122  1  0.579818  0.796439  0.482123  1
  Ni  Ni123  1  0.414823  0.221431  0.400180  1
  Ni  Ni124  1  0.920219  0.006451  0.454765  1
  Ni  Ni125  1  0.970207  0.379619  0.439431  1
  Ni  Ni126  1  0.475705  0.161804  0.495233  1
  Ni  Ni127  1  0.178473  0.513339  0.453393  1
  Ni  Ni128  1  0.673946  0.729828  0.398354  1
  Ni  Ni129  1  0.218186  0.655591  0.496083  1
  Ni  Ni130  1  0.711921  0.872599  0.440540  1
  Ni  Ni131  1  0.191248  0.373116  0.490391  1
  Ni  Ni132  1  0.685736  0.589533  0.435179  1
  Ni  Ni133  1  0.204870  0.795209  0.459284  1
  Ni  Ni134  1  0.699891  0.014721  0.403584  1
  Ni  Ni135  1  0.373540  0.569753  0.487910  1
  Ni  Ni136  1  0.866923  0.787614  0.432441  1
  Ni  Ni137  1  0.022065  0.599069  0.461734  1
  Ni  Ni138  1  0.517895  0.815527  0.406553  1
  Ni  Ni139  1  0.127333  0.116104  0.474528  1
  Ni  Ni140  1  0.621915  0.332877  0.419111  1
  Ni  Ni141  1  0.268150  0.052502  0.475291  1
  Ni  Ni142  1  0.762679  0.269116  0.419437  1
  Ni  Ni143  1  0.119966  0.404509  0.403293  1
  Ni  Ni144  1  0.624439  0.185882  0.458900  1
  Ni  Ni145  1  0.265660  0.199467  0.435530  1
  Ni  Ni146  1  0.772342  0.983037  0.490910  1
  Ni  Ni147  1  0.311521  0.588941  0.411528  1
  Ni  Ni148  1  0.816413  0.372034  0.467395  1
  Ni  Ni149  1  0.456595  0.759671  0.557455  1
  Ni  Ni150  1  0.951067  0.976041  0.502736  1
  Ni  Ni151  1  0.427895  0.547622  0.571944  1
  Ni  Ni152  1  0.921751  0.763358  0.516834  1
  Ni  Ni153  1  0.991441  0.754757  0.599281  1
  Ni  Ni154  1  0.485814  0.972374  0.543722  1
  Ni  Ni155  1  0.355280  0.405775  0.526858  1
  Ni  Ni156  1  0.861310  0.184979  0.582869  1
  Ni  Ni157  1  0.053265  0.329344  0.533507  1
  Ni  Ni158  1  0.557168  0.111615  0.589279  1
  Ni  Ni159  1  0.082440  0.727507  0.502917  1
  Ni  Ni160  1  0.588967  0.511037  0.558544  1
  Ni  Ni161  1  0.324308  0.006864  0.557686  1
  Ni  Ni162  1  0.829472  0.787398  0.613643  1
  Ni  Ni163  1  0.085436  0.579589  0.537711  1
  Ni  Ni164  1  0.590395  0.362321  0.593698  1
  Ni  Ni165  1  0.426235  0.790107  0.509902  1
  Ni  Ni166  1  0.931561  0.572102  0.565622  1
  Ni  Ni167  1  0.981655  0.945057  0.550699  1
  Ni  Ni168  1  0.487253  0.730608  0.604942  1
  Ni  Ni169  1  0.189543  0.079119  0.564782  1
  Ni  Ni170  1  0.683668  0.296168  0.509055  1
  Ni  Ni171  1  0.227895  0.221990  0.606997  1
  Ni  Ni172  1  0.723459  0.438190  0.551757  1
  Ni  Ni173  1  0.201497  0.937615  0.601593  1
  Ni  Ni174  1  0.696920  0.156477  0.545846  1
  Ni  Ni175  1  0.216340  0.362586  0.569997  1
  Ni  Ni176  1  0.710812  0.578710  0.514776  1
  Ni  Ni177  1  0.384142  0.136282  0.598661  1
  Ni  Ni178  1  0.879776  0.352486  0.543377  1
  Ni  Ni179  1  0.035520  0.164382  0.572687  1
  Ni  Ni180  1  0.528714  0.382225  0.517208  1
  Ni  Ni181  1  0.139005  0.682452  0.585602  1
  Ni  Ni182  1  0.633829  0.899556  0.529869  1
  Ni  Ni183  1  0.279888  0.619132  0.585998  1
  Ni  Ni184  1  0.774732  0.835992  0.530750  1
  Ni  Ni185  1  0.129596  0.968753  0.514350  1
  Ni  Ni186  1  0.636636  0.752816  0.569670  1
  Ni  Ni187  1  0.277459  0.765938  0.546170  1
  Ni  Ni188  1  0.781728  0.547017  0.601765  1
  Ni  Ni189  1  0.322096  0.155501  0.523065  1
  Ni  Ni190  1  0.829189  0.939927  0.578842  1
  Ni  Ni191  1  0.468603  0.323963  0.670240  1
  Ni  Ni192  1  0.962198  0.543751  0.613298  1
  Ni  Ni193  1  0.438988  0.110184  0.682312  1
  Ni  Ni194  1  0.931599  0.330798  0.625918  1
  Ni  Ni195  1  0.986527  0.288299  0.713217  1
  Ni  Ni196  1  0.494631  0.530588  0.656688  1
  Ni  Ni197  1  0.365507  0.973857  0.637237  1
  Ni  Ni198  1  0.870172  0.745839  0.692745  1
  Ni  Ni199  1  0.061579  0.891616  0.645431  1
  Ni  Ni200  1  0.535351  0.672698  0.699677  1
  Ni  Ni201  1  0.093514  0.291466  0.613752  1
  Ni  Ni202  1  0.601351  0.073563  0.669888  1
  Ni  Ni203  1  0.339010  0.570827  0.669546  1
  Ni  Ni204  1  0.823371  0.338894  0.722303  1
  Ni  Ni205  1  0.092378  0.137321  0.650513  1
  Ni  Ni206  1  0.584772  0.910982  0.705063  1
  Ni  Ni207  1  0.436840  0.354031  0.622297  1
  Ni  Ni208  1  0.937865  0.111090  0.682436  1
  Ni  Ni209  1  0.989605  0.507224  0.660716  1
  Ni  Ni210  1  0.497318  0.289343  0.716020  1
  Ni  Ni211  1  0.197280  0.630790  0.674427  1
  Ni  Ni212  1  0.698155  0.864403  0.619922  1
  Ni  Ni213  1  0.214016  0.773742  0.711529  1
  Ni  Ni214  1  0.732239  0.997698  0.664049  1
  Ni  Ni215  1  0.199499  0.467436  0.708357  1
  Ni  Ni216  1  0.706165  0.714048  0.656658  1
  Ni  Ni217  1  0.229144  0.931265  0.678364  1
  Ni  Ni218  1  0.720957  0.139449  0.625075  1
  Ni  Ni219  1  0.356947  0.684834  0.710868  1
  Ni  Ni220  1  0.888448  0.912249  0.655977  1
  Ni  Ni221  1  0.045454  0.726931  0.684068  1
  Ni  Ni222  1  0.536367  0.947053  0.628603  1
  Ni  Ni223  1  0.149305  0.237008  0.697582  1
  Ni  Ni224  1  0.645315  0.466050  0.642245  1
  Ni  Ni225  1  0.292544  0.169380  0.696929  1
  Ni  Ni226  1  0.785560  0.399726  0.641356  1
  Ni  Ni227  1  0.140862  0.531906  0.624929  1
  Ni  Ni228  1  0.649168  0.315756  0.680980  1
  Ni  Ni229  1  0.286292  0.330304  0.658712  1
  Ni  Ni230  1  0.779008  0.099091  0.712006  1
  Ni  Ni231  1  0.334706  0.722097  0.634028  1
  Ni  Ni232  1  0.840347  0.507498  0.689969  1
