# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.68075572
_cell_length_b   20.41882875
_cell_length_c   46.52930091
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   88.55762843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr72 Ni189'
_cell_volume   8244.74561269
_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  0.812399  0.734869  0.354024  1
  Zr  Zr2  1  0.459205  0.134239  0.401490  1
  Zr  Zr3  1  0.154627  0.334862  0.310326  1
  Zr  Zr4  1  0.497913  0.619440  0.422541  1
  Zr  Zr5  1  0.212441  0.823302  0.327473  1
  Zr  Zr6  1  0.856438  0.220894  0.374914  1
  Zr  Zr7  1  0.117496  0.830776  0.415471  1
  Zr  Zr8  1  0.855418  0.037533  0.318409  1
  Zr  Zr9  1  0.483515  0.434457  0.369473  1
  Zr  Zr10  1  0.207732  0.522124  0.358838  1
  Zr  Zr11  1  0.847215  0.922879  0.405263  1
  Zr  Zr12  1  0.556597  0.121871  0.312865  1
  Zr  Zr13  1  0.778814  0.547275  0.345477  1
  Zr  Zr14  1  0.434451  0.947329  0.391662  1
  Zr  Zr15  1  0.143085  0.148422  0.299830  1
  Zr  Zr16  1  0.530496  0.807167  0.429867  1
  Zr  Zr17  1  0.245908  0.009862  0.333270  1
  Zr  Zr18  1  0.883301  0.409278  0.382822  1
  Zr  Zr19  1  0.985851  0.670626  0.413533  1
  Zr  Zr20  1  0.710924  0.875208  0.318922  1
  Zr  Zr21  1  0.355777  0.275563  0.365539  1
  Zr  Zr22  1  0.330508  0.685179  0.361828  1
  Zr  Zr23  1  0.971838  0.082966  0.409519  1
  Zr  Zr24  1  0.665192  0.288508  0.316301  1
  Zr  Zr25  1  0.746299  0.930311  0.495668  1
  Zr  Zr26  1  0.388987  0.327962  0.543855  1
  Zr  Zr27  1  0.102697  0.532021  0.448107  1
  Zr  Zr28  1  0.431176  0.812148  0.564726  1
  Zr  Zr29  1  0.144311  0.016640  0.469502  1
  Zr  Zr30  1  0.785961  0.414648  0.517924  1
  Zr  Zr31  1  0.044956  0.025146  0.558897  1
  Zr  Zr32  1  0.761525  0.229102  0.464194  1
  Zr  Zr33  1  0.399727  0.626946  0.511906  1
  Zr  Zr34  1  0.131570  0.717931  0.501191  1
  Zr  Zr35  1  0.770369  0.115529  0.549395  1
  Zr  Zr36  1  0.488309  0.319184  0.454680  1
  Zr  Zr37  1  0.716150  0.742681  0.487719  1
  Zr  Zr38  1  0.358381  0.139632  0.535659  1
  Zr  Zr39  1  0.073066  0.344504  0.440411  1
  Zr  Zr40  1  0.459139  0.000434  0.572736  1
  Zr  Zr41  1  0.174312  0.204912  0.477838  1
  Zr  Zr42  1  0.816948  0.601498  0.525653  1
  Zr  Zr43  1  0.920615  0.863915  0.555467  1
  Zr  Zr44  1  0.633205  0.068570  0.460667  1
  Zr  Zr45  1  0.274104  0.466287  0.508579  1
  Zr  Zr46  1  0.258178  0.878223  0.504602  1
  Zr  Zr47  1  0.900014  0.275952  0.552521  1
  Zr  Zr48  1  0.612818  0.480788  0.457929  1
  Zr  Zr49  1  0.674928  0.124340  0.638421  1
  Zr  Zr50  1  0.315164  0.523475  0.686573  1
  Zr  Zr51  1  0.034155  0.724740  0.590700  1
  Zr  Zr52  1  0.378244  0.010530  0.703278  1
  Zr  Zr53  1  0.073394  0.210365  0.611650  1
  Zr  Zr54  1  0.719459  0.608538  0.660168  1
  Zr  Zr55  1  0.971522  0.221111  0.700519  1
  Zr  Zr56  1  0.686756  0.422594  0.607975  1
  Zr  Zr57  1  0.329860  0.823687  0.653385  1
  Zr  Zr58  1  0.045116  0.909715  0.645251  1
  Zr  Zr59  1  0.676925  0.311882  0.694291  1
  Zr  Zr60  1  0.414781  0.513236  0.598081  1
  Zr  Zr61  1  0.647556  0.935098  0.630906  1
  Zr  Zr62  1  0.283536  0.334175  0.680840  1
  Zr  Zr63  1  1.002335  0.537583  0.583928  1
  Zr  Zr64  1  0.391445  0.193328  0.713626  1
  Zr  Zr65  1  0.100620  0.397295  0.620958  1
  Zr  Zr66  1  0.750900  0.799633  0.666608  1
  Zr  Zr67  1  0.862233  0.058763  0.696734  1
  Zr  Zr68  1  0.558669  0.262557  0.604370  1
  Zr  Zr69  1  0.205804  0.659364  0.651167  1
  Zr  Zr70  1  0.175758  0.068917  0.647666  1
  Zr  Zr71  1  0.835050  0.468589  0.695838  1
  Zr  Zr72  1  0.546042  0.672864  0.599856  1
  Ni  Ni73  1  0.876856  0.375745  0.292196  1
  Ni  Ni74  1  0.516904  0.779387  0.339021  1
  Ni  Ni75  1  0.162931  0.178619  0.387767  1
  Ni  Ni76  1  0.959448  0.538883  0.393563  1
  Ni  Ni77  1  0.674363  0.746082  0.297937  1
  Ni  Ni78  1  0.318566  0.141211  0.346235  1
  Ni  Ni79  1  0.359342  0.816444  0.379979  1
  Ni  Ni80  1  1.002587  0.214260  0.428944  1
  Ni  Ni81  1  0.713721  0.415694  0.331404  1
  Ni  Ni82  1  0.226176  0.597170  0.402795  1
  Ni  Ni83  1  0.942064  0.793827  0.309943  1
  Ni  Ni84  1  0.586932  0.196610  0.355250  1
  Ni  Ni85  1  0.090259  0.756195  0.370658  1
  Ni  Ni86  1  0.733424  0.156810  0.419653  1
  Ni  Ni87  1  0.431178  0.375441  0.323518  1
  Ni  Ni88  1  0.851182  0.650825  0.311681  1
  Ni  Ni89  1  0.504116  0.050120  0.358916  1
  Ni  Ni90  1  0.146211  0.447079  0.406352  1
  Ni  Ni91  1  0.516565  0.506450  0.320869  1
  Ni  Ni92  1  0.170651  0.910524  0.369364  1
  Ni  Ni93  1  0.813329  0.306166  0.417180  1
  Ni  Ni94  1  0.827866  0.784252  0.407085  1
  Ni  Ni95  1  0.545166  0.987881  0.313939  1
  Ni  Ni96  1  0.184612  0.387100  0.359288  1
  Ni  Ni97  1  0.987921  0.447783  0.330082  1
  Ni  Ni98  1  0.639739  0.848473  0.376241  1
  Ni  Ni99  1  0.280806  0.247046  0.425439  1
  Ni  Ni100  1  0.387019  0.715424  0.301827  1
  Ni  Ni101  1  0.039731  0.111163  0.350211  1
  Ni  Ni102  1  0.679063  0.508974  0.398719  1
  Ni  Ni103  1  0.329101  0.598481  0.318643  1
  Ni  Ni104  1  0.982392  -0.001820  0.367181  1
  Ni  Ni105  1  0.622531  0.393454  0.416663  1
  Ni  Ni106  1  0.047441  0.564158  0.312285  1
  Ni  Ni107  1  0.706756  0.965923  0.357594  1
  Ni  Ni108  1  0.340835  0.361144  0.407281  1
  Ni  Ni109  1  0.290318  0.723920  0.416682  1
  Ni  Ni110  1  1.000234  0.924443  0.323886  1
  Ni  Ni111  1  0.649900  0.325250  0.369605  1
  Ni  Ni112  1  0.024474  0.630566  0.359137  1
  Ni  Ni113  1  0.672377  0.031136  0.405762  1
  Ni  Ni114  1  0.382524  0.235534  0.312828  1
  Ni  Ni115  1  0.248652  0.466339  0.310474  1
  Ni  Ni116  1  0.924997  0.855226  0.360936  1
  Ni  Ni117  1  0.564889  0.256842  0.408401  1
  Ni  Ni118  1  0.112623  0.692922  0.319373  1
  Ni  Ni119  1  0.758110  0.094545  0.364596  1
  Ni  Ni120  1  0.395428  0.496203  0.415317  1
  Ni  Ni121  1  0.577048  0.726159  0.388483  1
  Ni  Ni122  1  0.458217  0.836772  0.292554  1
  Ni  Ni123  1  0.921154  0.325882  0.342134  1
  Ni  Ni124  1  0.735795  0.629241  0.385974  1
  Ni  Ni125  1  0.382986  0.027351  0.433312  1
  Ni  Ni126  1  0.102082  0.230936  0.339781  1
  Ni  Ni127  1  0.588671  0.655473  0.334357  1
  Ni  Ni128  1  0.236467  0.056194  0.385582  1
  Ni  Ni129  1  0.878399  0.454900  0.434521  1
  Ni  Ni130  1  0.805962  0.499092  0.294859  1
  Ni  Ni131  1  0.440868  0.900124  0.341400  1
  Ni  Ni132  1  0.083314  0.299174  0.388204  1
  Ni  Ni133  1  0.484112  0.572818  0.368813  1
  Ni  Ni134  1  0.131666  0.970355  0.416540  1
  Ni  Ni135  1  0.841587  0.176365  0.322350  1
  Ni  Ni136  1  0.801362  0.576275  0.435783  1
  Ni  Ni137  1  0.445275  0.973241  0.482366  1
  Ni  Ni138  1  0.087710  0.371237  0.530812  1
  Ni  Ni139  1  0.890426  0.731996  0.536114  1
  Ni  Ni140  1  0.604466  0.937658  0.440739  1
  Ni  Ni141  1  0.245719  0.334914  0.489281  1
  Ni  Ni142  1  0.286994  0.009567  0.523981  1
  Ni  Ni143  1  0.928708  0.406958  0.572349  1
  Ni  Ni144  1  0.642459  0.612257  0.477232  1
  Ni  Ni145  1  0.159685  0.788894  0.545843  1
  Ni  Ni146  1  0.872667  -0.006564  0.450613  1
  Ni  Ni147  1  0.514321  0.391683  0.498996  1
  Ni  Ni148  1  0.018451  0.953179  0.514266  1
  Ni  Ni149  1  0.660579  0.350838  0.563029  1
  Ni  Ni150  1  0.373138  0.555538  0.467536  1
  Ni  Ni151  1  0.793031  0.846477  0.453376  1
  Ni  Ni152  1  0.434575  0.243026  0.501726  1
  Ni  Ni153  1  0.080001  0.640159  0.548442  1
  Ni  Ni154  1  0.453176  0.704035  0.464626  1
  Ni  Ni155  1  0.098195  0.101424  0.511741  1
  Ni  Ni156  1  0.739794  0.498605  0.560274  1
  Ni  Ni157  1  0.759263  0.977134  0.548722  1
  Ni  Ni158  1  0.473135  0.181573  0.454219  1
  Ni  Ni159  1  0.114948  0.578601  0.501304  1
  Ni  Ni160  1  0.921507  0.644625  0.473281  1
  Ni  Ni161  1  0.565000  0.041566  0.520247  1
  Ni  Ni162  1  0.207450  0.439460  0.568687  1
  Ni  Ni163  1  0.325673  0.905186  0.444368  1
  Ni  Ni164  1  0.967548  0.302865  0.493023  1
  Ni  Ni165  1  0.611106  0.699336  0.539865  1
  Ni  Ni166  1  0.265411  0.792115  0.463144  1
  Ni  Ni167  1  0.908446  0.188580  0.511055  1
  Ni  Ni168  1  0.549960  0.586058  0.558806  1
  Ni  Ni169  1  0.981853  0.758287  0.454553  1
  Ni  Ni170  1  0.623914  0.155850  0.502365  1
  Ni  Ni171  1  0.267708  0.552255  0.550047  1
  Ni  Ni172  1  0.220817  0.916583  0.559089  1
  Ni  Ni173  1  0.936216  0.120812  0.463973  1
  Ni  Ni174  1  0.575980  0.518614  0.512385  1
  Ni  Ni175  1  0.955828  0.826073  0.501057  1
  Ni  Ni176  1  0.596422  0.223846  0.549702  1
  Ni  Ni177  1  0.312758  0.427773  0.454049  1
  Ni  Ni178  1  0.203308  0.655710  0.455188  1
  Ni  Ni179  1  0.847554  0.054198  0.503090  1
  Ni  Ni180  1  0.489019  0.451611  0.551517  1
  Ni  Ni181  1  0.044179  0.892798  0.461921  1
  Ni  Ni182  1  0.684738  0.290637  0.510459  1
  Ni  Ni183  1  0.329307  0.688955  0.557905  1
  Ni  Ni184  1  0.507352  0.919268  0.531504  1
  Ni  Ni185  1  0.220951  0.123977  0.436651  1
  Ni  Ni186  1  0.864201  0.521572  0.484345  1
  Ni  Ni187  1  0.669605  0.822874  0.528807  1
  Ni  Ni188  1  0.311687  0.220426  0.576777  1
  Ni  Ni189  1  0.024978  0.425244  0.481871  1
  Ni  Ni190  1  0.523420  0.852611  0.481245  1
  Ni  Ni191  1  0.165649  0.250066  0.529622  1
  Ni  Ni192  1  0.811433  0.647061  0.576923  1
  Ni  Ni193  1  0.721643  0.696814  0.436484  1
  Ni  Ni194  1  0.367361  0.094449  0.483797  1
  Ni  Ni195  1  0.009461  0.492262  0.532203  1
  Ni  Ni196  1  0.418000  0.765781  0.511642  1
  Ni  Ni197  1  0.059154  0.162699  0.559096  1
  Ni  Ni198  1  0.774005  0.367870  0.464669  1
  Ni  Ni199  1  0.731597  0.767371  0.577200  1
  Ni  Ni200  1  0.368633  0.166144  0.625758  1
  Ni  Ni201  1  0.016225  0.564928  0.675310  1
  Ni  Ni202  1  0.816031  0.929797  0.684766  1
  Ni  Ni203  1  0.529375  0.130312  0.584734  1
  Ni  Ni204  1  0.172951  0.529160  0.633615  1
  Ni  Ni205  1  0.212837  0.203010  0.667327  1
  Ni  Ni206  1  0.853283  0.603095  0.715316  1
  Ni  Ni207  1  0.573612  0.805244  0.618713  1
  Ni  Ni208  1  0.098117  0.974186  0.690310  1
  Ni  Ni209  1  0.797635  0.188740  0.593765  1
  Ni  Ni210  1  0.447385  0.584309  0.643299  1
  Ni  Ni211  1  0.944560  0.148367  0.657604  1
  Ni  Ni212  1  0.592387  0.547377  0.704318  1
  Ni  Ni213  1  0.305883  0.747591  0.609973  1
  Ni  Ni214  1  0.717826  0.037725  0.596424  1
  Ni  Ni215  1  0.361618  0.435691  0.645196  1
  Ni  Ni216  1  0.012166  0.835725  0.692699  1
  Ni  Ni217  1  0.387341  0.898104  0.606420  1
  Ni  Ni218  1  0.027865  0.293971  0.653868  1
  Ni  Ni219  1  0.685142  0.699365  0.701191  1
  Ni  Ni220  1  0.689262  0.170230  0.690864  1
  Ni  Ni221  1  0.401381  0.374875  0.597145  1
  Ni  Ni222  1  0.050041  0.772229  0.644086  1
  Ni  Ni223  1  0.854051  0.835252  0.613964  1
  Ni  Ni224  1  0.492082  0.234224  0.663346  1
  Ni  Ni225  1  0.146041  0.633589  0.711249  1
  Ni  Ni226  1  0.250725  0.097284  0.588116  1
  Ni  Ni227  1  0.892654  0.497128  0.637513  1
  Ni  Ni228  1  0.545594  0.898156  0.685368  1
  Ni  Ni229  1  0.190535  0.982277  0.606458  1
  Ni  Ni230  1  0.828814  0.379934  0.655102  1
  Ni  Ni231  1  0.481570  0.781449  0.700667  1
  Ni  Ni232  1  0.909886  0.951117  0.597120  1
  Ni  Ni233  1  0.548632  0.349161  0.646967  1
  Ni  Ni234  1  0.206023  0.747034  0.693473  1
  Ni  Ni235  1  0.148117  0.107975  0.700448  1
  Ni  Ni236  1  0.859945  0.313733  0.607301  1
  Ni  Ni237  1  0.508108  0.714026  0.653895  1
  Ni  Ni238  1  0.880968  0.019079  0.644223  1
  Ni  Ni239  1  0.511809  0.422250  0.693738  1
  Ni  Ni240  1  0.242806  0.620553  0.596343  1
  Ni  Ni241  1  0.136786  0.849447  0.598357  1
  Ni  Ni242  1  0.773319  0.251248  0.648860  1
  Ni  Ni243  1  0.425984  0.651051  0.693968  1
  Ni  Ni244  1  0.964958  0.088085  0.605049  1
  Ni  Ni245  1  0.615024  0.482438  0.655077  1
  Ni  Ni246  1  0.276760  0.879120  0.701601  1
  Ni  Ni247  1  0.430659  0.113549  0.673415  1
  Ni  Ni248  1  0.150835  0.317206  0.579905  1
  Ni  Ni249  1  0.795220  0.714890  0.627296  1
  Ni  Ni250  1  0.609437  0.018845  0.670758  1
  Ni  Ni251  1  0.183529  0.429785  0.717885  1
  Ni  Ni252  1  0.955331  0.618732  0.625648  1
  Ni  Ni253  1  0.448231  0.045138  0.625189  1
  Ni  Ni254  1  0.089890  0.442848  0.669920  1
  Ni  Ni255  1  0.735653  0.833509  0.717871  1
  Ni  Ni256  1  0.654988  0.889885  0.578603  1
  Ni  Ni257  1  0.295860  0.288615  0.628003  1
  Ni  Ni258  1  0.943962  0.690197  0.677962  1
  Ni  Ni259  1  0.347038  0.957315  0.654532  1
  Ni  Ni260  1  0.983980  0.353305  0.698391  1
  Ni  Ni261  1  0.704208  0.560511  0.606822  1
