# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.55335204
_cell_length_b   23.95992226
_cell_length_c   51.98330488
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   87.20309609
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8152.58131078
_cell_formula_units_Z   9
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  0.500600  0.490834  0.373773  1
  Zr  Zr2  1  0.078031  0.178944  0.332599  1
  Zr  Zr3  1  0.917492  0.803832  0.416023  1
  Zr  Zr4  1  0.161133  0.340918  0.343525  1
  Zr  Zr5  1  0.718483  0.032945  0.303688  1
  Zr  Zr6  1  0.572907  0.654862  0.385075  1
  Zr  Zr7  1  0.044927  0.253314  0.415117  1
  Zr  Zr8  1  0.633238  0.943807  0.375721  1
  Zr  Zr9  1  0.217743  0.632998  0.315847  1
  Zr  Zr10  1  0.622597  0.579641  0.303690  1
  Zr  Zr11  1  0.435518  0.200162  0.400827  1
  Zr  Zr12  1  1.002500  0.889846  0.342437  1
  Zr  Zr13  1  0.201989  0.398642  0.423773  1
  Zr  Zr14  1  0.775560  0.085788  0.381955  1
  Zr  Zr15  1  0.364855  0.775242  0.322497  1
  Zr  Zr16  1  0.441933  0.436161  0.295268  1
  Zr  Zr17  1  0.282960  0.056982  0.392604  1
  Zr  Zr18  1  0.870905  0.747208  0.334752  1
  Zr  Zr19  1  1.002543  0.515620  0.361168  1
  Zr  Zr20  1  0.584219  0.200579  0.318272  1
  Zr  Zr21  1  0.407482  0.832909  0.402736  1
  Zr  Zr22  1  0.661824  0.313837  0.354958  1
  Zr  Zr23  1  0.224436  0.000650  0.313421  1
  Zr  Zr24  1  0.071867  0.629461  0.397157  1
  Zr  Zr25  1  0.741948  0.427322  0.515107  1
  Zr  Zr26  1  0.323747  0.113909  0.473552  1
  Zr  Zr27  1  0.163720  0.739529  0.557805  1
  Zr  Zr28  1  0.399979  0.276710  0.484715  1
  Zr  Zr29  1  0.978207  0.964503  0.442018  1
  Zr  Zr30  1  0.818180  0.590123  0.526270  1
  Zr  Zr31  1  0.288091  0.190139  0.556563  1
  Zr  Zr32  1  0.886166  0.877772  0.516590  1
  Zr  Zr33  1  0.460854  0.566383  0.456414  1
  Zr  Zr34  1  0.853836  0.513893  0.443259  1
  Zr  Zr35  1  0.681073  0.137649  0.543408  1
  Zr  Zr36  1  0.255761  0.826260  0.483233  1
  Zr  Zr37  1  0.444119  0.335433  0.565769  1
  Zr  Zr38  1  0.027190  0.021616  0.523486  1
  Zr  Zr39  1  0.611618  0.711428  0.465450  1
  Zr  Zr40  1  0.697807  0.368599  0.434054  1
  Zr  Zr41  1  0.530309  0.992604  0.534372  1
  Zr  Zr42  1  0.114736  0.682416  0.476336  1
  Zr  Zr43  1  0.244223  0.451795  0.502847  1
  Zr  Zr44  1  0.825240  0.138641  0.461307  1
  Zr  Zr45  1  0.654357  0.768750  0.544378  1
  Zr  Zr46  1  0.897704  0.252237  0.496976  1
  Zr  Zr47  1  0.487570  0.935282  0.455444  1
  Zr  Zr48  1  0.316687  0.565391  0.538516  1
  Zr  Zr49  1  0.980794  0.363114  0.656297  1
  Zr  Zr50  1  0.569020  0.049170  0.614748  1
  Zr  Zr51  1  0.423443  0.671087  0.696135  1
  Zr  Zr52  1  0.641327  0.213198  0.626049  1
  Zr  Zr53  1  0.224435  0.900200  0.583800  1
  Zr  Zr54  1  0.063896  0.525088  0.667224  1
  Zr  Zr55  1  0.519329  0.124391  0.696133  1
  Zr  Zr56  1  0.139427  0.814186  0.657385  1
  Zr  Zr57  1  0.706409  0.503870  0.598996  1
  Zr  Zr58  1  0.097000  0.450718  0.584706  1
  Zr  Zr59  1  0.924184  0.071034  0.683976  1
  Zr  Zr60  1  0.508689  0.760225  0.624101  1
  Zr  Zr61  1  0.699994  0.267871  0.704554  1
  Zr  Zr62  1  0.271022  0.956824  0.665070  1
  Zr  Zr63  1  0.858967  0.647050  0.607219  1
  Zr  Zr64  1  0.939938  0.305390  0.576049  1
  Zr  Zr65  1  0.777071  0.928790  0.677326  1
  Zr  Zr66  1  0.366367  0.618245  0.617868  1
  Zr  Zr67  1  0.480103  0.390195  0.644864  1
  Zr  Zr68  1  0.070060  0.074571  0.602666  1
  Zr  Zr69  1  0.917491  0.703382  0.686401  1
  Zr  Zr70  1  0.139384  0.188412  0.638655  1
  Zr  Zr71  1  0.734445  0.871123  0.597086  1
  Zr  Zr72  1  0.557707  0.503453  0.681550  1
  Ni  Ni73  1  0.829139  0.415690  0.357052  1
  Ni  Ni74  1  0.391593  0.104824  0.312985  1
  Ni  Ni75  1  0.245712  0.729845  0.399549  1
  Ni  Ni76  1  0.854057  0.448975  0.402163  1
  Ni  Ni77  1  0.426689  0.136523  0.358441  1
  Ni  Ni78  1  0.016714  0.824708  0.300335  1
  Ni  Ni79  1  0.800609  0.382010  0.313001  1
  Ni  Ni80  1  0.628721  0.005429  0.415381  1
  Ni  Ni81  1  0.217306  0.696780  0.355758  1
  Ni  Ni82  1  0.774260  0.553728  0.398427  1
  Ni  Ni83  1  0.365364  0.240531  0.355214  1
  Ni  Ni84  1  0.913118  0.931139  0.299804  1
  Ni  Ni85  1  0.883540  0.278016  0.316683  1
  Ni  Ni86  1  0.721271  0.897902  0.418981  1
  Ni  Ni87  1  0.297589  0.591727  0.359663  1
  Ni  Ni88  1  0.507706  0.471562  0.422838  1
  Ni  Ni89  1  0.086231  0.157656  0.381323  1
  Ni  Ni90  1  0.674014  0.846072  0.322261  1
  Ni  Ni91  1  0.155575  0.358902  0.295796  1
  Ni  Ni92  1  0.973951  0.989652  0.392178  1
  Ni  Ni93  1  0.563122  0.673878  0.335631  1
  Ni  Ni94  1  0.345872  0.518394  0.327557  1
  Ni  Ni95  1  0.167373  0.139724  0.427582  1
  Ni  Ni96  1  0.753704  0.831988  0.371283  1
  Ni  Ni97  1  0.714061  0.482660  0.324404  1
  Ni  Ni98  1  0.540473  0.105144  0.425403  1
  Ni  Ni99  1  0.130924  0.798039  0.366768  1
  Ni  Ni100  1  0.940776  0.349352  0.391422  1
  Ni  Ni101  1  0.506102  0.037048  0.347914  1
  Ni  Ni102  1  0.100752  0.725634  0.290066  1
  Ni  Ni103  1  0.679967  0.278359  0.401327  1
  Ni  Ni104  1  0.252143  0.963821  0.360192  1
  Ni  Ni105  1  0.843289  0.659746  0.303010  1
  Ni  Ni106  1  0.975987  0.553972  0.316752  1
  Ni  Ni107  1  0.801447  0.175216  0.415188  1
  Ni  Ni108  1  0.398778  0.866463  0.354534  1
  Ni  Ni109  1  0.509135  0.322493  0.309407  1
  Ni  Ni110  1  0.319096  0.947187  0.409062  1
  Ni  Ni111  1  0.916257  0.634790  0.349679  1
  Ni  Ni112  1  0.155116  0.510516  0.409395  1
  Ni  Ni113  1  0.736806  0.197363  0.366469  1
  Ni  Ni114  1  0.305216  0.888922  0.309108  1
  Ni  Ni115  1  0.652271  0.572457  0.349657  1
  Ni  Ni116  1  0.245691  0.258396  0.308489  1
  Ni  Ni117  1  0.047740  0.891508  0.391536  1
  Ni  Ni118  1  0.011516  0.258508  0.367083  1
  Ni  Ni119  1  0.583944  0.943963  0.327751  1
  Ni  Ni120  1  0.420317  0.572834  0.408806  1
  Ni  Ni121  1  0.462017  0.409609  0.340193  1
  Ni  Ni122  1  0.017677  0.098400  0.300157  1
  Ni  Ni123  1  0.880187  0.723408  0.382538  1
  Ni  Ni124  1  0.190006  0.423499  0.375678  1
  Ni  Ni125  1  0.761260  0.110619  0.334941  1
  Ni  Ni126  1  0.607077  0.736936  0.417069  1
  Ni  Ni127  1  0.551325  0.387870  0.389026  1
  Ni  Ni128  1  0.123739  0.074977  0.347036  1
  Ni  Ni129  1  0.721036  0.762902  0.290550  1
  Ni  Ni130  1  0.098708  0.444162  0.324807  1
  Ni  Ni131  1  0.931285  0.067037  0.426973  1
  Ni  Ni132  1  0.519213  0.758752  0.367906  1
  Ni  Ni133  1  0.317072  0.314486  0.389579  1
  Ni  Ni134  1  0.888363  0.001779  0.344778  1
  Ni  Ni135  1  0.485109  0.688380  0.289642  1
  Ni  Ni136  1  0.070963  0.352016  0.499911  1
  Ni  Ni137  1  0.650868  0.038759  0.458996  1
  Ni  Ni138  1  0.491059  0.665273  0.540827  1
  Ni  Ni139  1  0.096768  0.385767  0.544272  1
  Ni  Ni140  1  0.680483  0.071790  0.502661  1
  Ni  Ni141  1  0.267195  0.762863  0.443414  1
  Ni  Ni142  1  0.045159  0.318265  0.455550  1
  Ni  Ni143  1  0.874731  0.941169  0.556408  1
  Ni  Ni144  1  0.461444  0.632242  0.497161  1
  Ni  Ni145  1  0.016699  0.489831  0.539626  1
  Ni  Ni146  1  0.597807  0.176350  0.498374  1
  Ni  Ni147  1  0.173763  0.870137  0.439348  1
  Ni  Ni148  1  0.125228  0.214201  0.460196  1
  Ni  Ni149  1  0.968164  0.833895  0.560475  1
  Ni  Ni150  1  0.544120  0.527682  0.501448  1
  Ni  Ni151  1  0.749343  0.408561  0.564466  1
  Ni  Ni152  1  0.333816  0.094802  0.522663  1
  Ni  Ni153  1  0.921909  0.778920  0.465729  1
  Ni  Ni154  1  0.392584  0.295471  0.435356  1
  Ni  Ni155  1  0.220018  0.925113  0.534094  1
  Ni  Ni156  1  0.808111  0.609230  0.477159  1
  Ni  Ni157  1  0.585220  0.451756  0.468970  1
  Ni  Ni158  1  0.412564  0.075823  0.568830  1
  Ni  Ni159  1  1.000861  0.767054  0.513074  1
  Ni  Ni160  1  0.959193  0.417824  0.466282  1
  Ni  Ni161  1  0.786828  0.041236  0.566586  1
  Ni  Ni162  1  0.375296  0.733690  0.508628  1
  Ni  Ni163  1  0.182734  0.286208  0.533541  1
  Ni  Ni164  1  0.766630  0.970342  0.491194  1
  Ni  Ni165  1  0.355099  0.662796  0.433237  1
  Ni  Ni166  1  0.921765  0.215631  0.542839  1
  Ni  Ni167  1  0.499928  0.900397  0.503539  1
  Ni  Ni168  1  0.094161  0.592507  0.443200  1
  Ni  Ni169  1  0.220162  0.488401  0.456984  1
  Ni  Ni170  1  0.047766  0.111525  0.556622  1
  Ni  Ni171  1  0.641999  0.803635  0.496283  1
  Ni  Ni172  1  0.743894  0.257181  0.449284  1
  Ni  Ni173  1  0.568441  0.882534  0.550863  1
  Ni  Ni174  1  0.161266  0.570574  0.490909  1
  Ni  Ni175  1  0.398033  0.446851  0.550538  1
  Ni  Ni176  1  0.980661  0.133458  0.508913  1
  Ni  Ni177  1  0.573486  0.821499  0.448960  1
  Ni  Ni178  1  0.896445  0.508095  0.490679  1
  Ni  Ni179  1  0.477109  0.195265  0.448875  1
  Ni  Ni180  1  0.294825  0.827169  0.532872  1
  Ni  Ni181  1  0.245482  0.195937  0.509143  1
  Ni  Ni182  1  0.847101  0.876864  0.466950  1
  Ni  Ni183  1  0.664818  0.508767  0.550948  1
  Ni  Ni184  1  0.706722  0.345015  0.482279  1
  Ni  Ni185  1  0.287979  0.031636  0.441162  1
  Ni  Ni186  1  0.125238  0.658912  0.524038  1
  Ni  Ni187  1  0.435205  0.359017  0.517544  1
  Ni  Ni188  1  0.016689  0.045120  0.475785  1
  Ni  Ni189  1  0.853948  0.672396  0.558660  1
  Ni  Ni190  1  0.793239  0.324970  0.531305  1
  Ni  Ni191  1  0.376751  0.009980  0.489776  1
  Ni  Ni192  1  0.964181  0.701333  0.431234  1
  Ni  Ni193  1  0.348688  0.379062  0.468518  1
  Ni  Ni194  1  0.177746  0.002699  0.568588  1
  Ni  Ni195  1  0.765176  0.694053  0.510047  1
  Ni  Ni196  1  0.556707  0.252276  0.530853  1
  Ni  Ni197  1  0.141066  0.936978  0.486748  1
  Ni  Ni198  1  0.729363  0.628209  0.430993  1
  Ni  Ni199  1  0.312787  0.288343  0.642770  1
  Ni  Ni200  1  0.896215  0.974187  0.600274  1
  Ni  Ni201  1  0.750334  0.599208  0.686838  1
  Ni  Ni202  1  0.341318  0.322022  0.686822  1
  Ni  Ni203  1  0.924621  0.007252  0.644064  1
  Ni  Ni204  1  0.513205  0.698603  0.584442  1
  Ni  Ni205  1  0.287870  0.255058  0.597660  1
  Ni  Ni206  1  0.125213  0.879324  0.699487  1
  Ni  Ni207  1  0.715238  0.567509  0.641381  1
  Ni  Ni208  1  0.258387  0.426016  0.683140  1
  Ni  Ni209  1  0.844338  0.112305  0.640160  1
  Ni  Ni210  1  0.420656  0.806130  0.580841  1
  Ni  Ni211  1  0.367667  0.150304  0.601395  1
  Ni  Ni212  1  0.228809  0.772893  0.700019  1
  Ni  Ni213  1  0.776562  0.463501  0.644608  1
  Ni  Ni214  1  0.986352  0.345130  0.704026  1
  Ni  Ni215  1  0.578805  0.030154  0.664192  1
  Ni  Ni216  1  0.167976  0.714380  0.607645  1
  Ni  Ni217  1  0.634221  0.232470  0.576985  1
  Ni  Ni218  1  0.467913  0.857960  0.677562  1
  Ni  Ni219  1  0.055696  0.546376  0.618500  1
  Ni  Ni220  1  0.824855  0.389547  0.610244  1
  Ni  Ni221  1  0.656817  0.015652  0.710181  1
  Ni  Ni222  1  0.253563  0.702254  0.655045  1
  Ni  Ni223  1  0.201151  0.354680  0.608400  1
  Ni  Ni224  1  0.041175  0.978399  0.709757  1
  Ni  Ni225  1  0.635825  0.666984  0.651908  1
  Ni  Ni226  1  0.427866  0.221372  0.675419  1
  Ni  Ni227  1  0.011002  0.905994  0.633055  1
  Ni  Ni228  1  0.601453  0.598888  0.574420  1
  Ni  Ni229  1  0.165940  0.150060  0.683070  1
  Ni  Ni230  1  0.743149  0.837569  0.645288  1
  Ni  Ni231  1  0.340480  0.528816  0.584635  1
  Ni  Ni232  1  0.461960  0.425673  0.598495  1
  Ni  Ni233  1  0.298638  0.044286  0.696812  1
  Ni  Ni234  1  0.889783  0.740211  0.639631  1
  Ni  Ni235  1  0.986811  0.193517  0.590427  1
  Ni  Ni236  1  0.836711  0.815110  0.690714  1
  Ni  Ni237  1  0.405120  0.506669  0.633353  1
  Ni  Ni238  1  0.632792  0.381539  0.690416  1
  Ni  Ni239  1  0.225670  0.069242  0.650143  1
  Ni  Ni240  1  0.822831  0.756845  0.590761  1
  Ni  Ni241  1  0.130411  0.445524  0.632740  1
  Ni  Ni242  1  0.721610  0.131198  0.591017  1
  Ni  Ni243  1  0.557983  0.760070  0.672071  1
  Ni  Ni244  1  0.489656  0.131575  0.650165  1
  Ni  Ni245  1  0.094187  0.812524  0.608287  1
  Ni  Ni246  1  0.896236  0.445636  0.691333  1
  Ni  Ni247  1  0.951921  0.280533  0.624145  1
  Ni  Ni248  1  0.534850  0.967096  0.582753  1
  Ni  Ni249  1  0.380667  0.593413  0.664881  1
  Ni  Ni250  1  0.679910  0.294423  0.659629  1
  Ni  Ni251  1  0.261740  0.980624  0.617284  1
  Ni  Ni252  1  0.124250  0.605632  0.699665  1
  Ni  Ni253  1  0.043219  0.259870  0.675015  1
  Ni  Ni254  1  0.622714  0.945281  0.631916  1
  Ni  Ni255  1  0.210642  0.636995  0.572849  1
  Ni  Ni256  1  0.590602  0.316162  0.610796  1
  Ni  Ni257  1  0.420891  0.941130  0.709273  1
  Ni  Ni258  1  0.018188  0.629055  0.652787  1
  Ni  Ni259  1  0.796055  0.185638  0.672265  1
  Ni  Ni260  1  0.388223  0.872044  0.628540  1
  Ni  Ni261  1  0.974554  0.564308  0.572241  1
