# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.50267107
_cell_length_b   10.03116804
_cell_length_c   51.22683219
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.19093426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr64 Ni168'
_cell_volume   6226.15629807
_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  0.134502  0.348299  0.279462  1
  Zr  Zr2  1  0.674851  0.164229  0.341611  1
  Zr  Zr3  1  0.568714  0.802937  0.286952  1
  Zr  Zr4  1  0.111029  0.621215  0.351571  1
  Zr  Zr5  1  0.533926  0.721820  0.367962  1
  Zr  Zr6  1  0.990930  0.896217  0.306640  1
  Zr  Zr7  1  0.249631  0.065748  0.321531  1
  Zr  Zr8  1  0.699679  0.239806  0.262238  1
  Zr  Zr9  1  0.506876  0.396318  0.333013  1
  Zr  Zr10  1  0.970347  0.572867  0.272153  1
  Zr  Zr11  1  0.277496  0.392604  0.357511  1
  Zr  Zr12  1  0.739252  0.568265  0.295706  1
  Zr  Zr13  1  0.375233  0.354271  0.256629  1
  Zr  Zr14  1  0.906013  0.164209  0.316018  1
  Zr  Zr15  1  0.337442  0.798086  0.311105  1
  Zr  Zr16  1  0.877785  0.620595  0.374273  1
  Zr  Zr17  1  0.211997  0.983071  0.401780  1
  Zr  Zr18  1  0.749492  0.801197  0.464729  1
  Zr  Zr19  1  0.648308  0.440932  0.412923  1
  Zr  Zr20  1  0.185415  0.257799  0.475800  1
  Zr  Zr21  1  0.609883  0.359722  0.493711  1
  Zr  Zr22  1  0.072178  0.540868  0.431816  1
  Zr  Zr23  1  0.324428  0.699912  0.445802  1
  Zr  Zr24  1  0.787560  0.881501  0.383702  1
  Zr  Zr25  1  0.582107  0.032126  0.457233  1
  Zr  Zr26  1  0.044776  0.213683  0.395234  1
  Zr  Zr27  1  0.352065  0.027330  0.482238  1
  Zr  Zr28  1  0.815408  0.209134  0.420369  1
  Zr  Zr29  1  0.445195  0.983669  0.378371  1
  Zr  Zr30  1  0.983285  0.805296  0.441206  1
  Zr  Zr31  1  0.414245  0.436470  0.436401  1
  Zr  Zr32  1  0.951811  0.255407  0.499150  1
  Zr  Zr33  1  0.285925  0.619828  0.526510  1
  Zr  Zr34  1  0.823032  0.436694  0.589387  1
  Zr  Zr35  1  0.721849  0.076430  0.537581  1
  Zr  Zr36  1  0.259343  0.894555  0.600530  1
  Zr  Zr37  1  0.683780  0.996125  0.618608  1
  Zr  Zr38  1  0.146912  0.177715  0.556507  1
  Zr  Zr39  1  0.399162  0.336759  0.570494  1
  Zr  Zr40  1  0.861457  0.517904  0.508599  1
  Zr  Zr41  1  0.655932  0.668492  0.581941  1
  Zr  Zr42  1  0.119275  0.850297  0.520072  1
  Zr  Zr43  1  0.426564  0.663944  0.607076  1
  Zr  Zr44  1  0.889233  0.845501  0.545077  1
  Zr  Zr45  1  0.519529  0.622220  0.503160  1
  Zr  Zr46  1  0.057095  0.441157  0.565908  1
  Zr  Zr47  1  0.488055  0.072330  0.561104  1
  Zr  Zr48  1  0.026145  0.893957  0.623939  1
  Zr  Zr49  1  0.360311  0.256412  0.650739  1
  Zr  Zr50  1  0.902626  0.074689  0.715357  1
  Zr  Zr51  1  0.796490  0.713398  0.660699  1
  Zr  Zr52  1  0.336838  0.529328  0.722847  1
  Zr  Zr53  1  0.771661  0.637821  0.740072  1
  Zr  Zr54  1  0.221709  0.811878  0.680779  1
  Zr  Zr55  1  0.480410  0.981409  0.695670  1
  Zr  Zr56  1  0.937415  0.155807  0.634348  1
  Zr  Zr57  1  0.732088  0.309361  0.706604  1
  Zr  Zr58  1  0.193845  0.485022  0.644799  1
  Zr  Zr59  1  0.500993  0.304759  0.730157  1
  Zr  Zr60  1  0.964465  0.481309  0.669297  1
  Zr  Zr61  1  0.593555  0.257032  0.628037  1
  Zr  Zr62  1  0.133898  0.079541  0.691205  1
  Zr  Zr63  1  0.565327  0.713417  0.686292  1
  Zr  Zr64  1  0.096107  0.523355  0.745681  1
  Ni  Ni65  1  0.347619  0.575720  0.279129  1
  Ni  Ni66  1  0.893171  0.392784  0.345257  1
  Ni  Ni67  1  0.354413  0.181534  0.364483  1
  Ni  Ni68  1  0.815634  0.359744  0.302341  1
  Ni  Ni69  1  0.427642  0.608360  0.323853  1
  Ni  Ni70  1  0.881254  0.769520  0.262472  1
  Ni  Ni71  1  0.259606  0.890606  0.355725  1
  Ni  Ni72  1  0.710884  0.070735  0.296622  1
  Ni  Ni73  1  0.530809  0.899645  0.331857  1
  Ni  Ni74  1  0.980487  0.061614  0.271385  1
  Ni  Ni75  1  0.614400  0.280163  0.304975  1
  Ni  Ni76  1  0.149416  0.105143  0.364485  1
  Ni  Ni77  1  0.093411  0.861960  0.265798  1
  Ni  Ni78  1  0.633141  0.686104  0.324685  1
  Ni  Ni79  1  0.580176  0.376662  0.262596  1
  Ni  Ni80  1  0.114187  0.192805  0.320727  1
  Ni  Ni81  1  0.313659  0.349810  0.305747  1
  Ni  Ni82  1  0.855158  0.163333  0.369038  1
  Ni  Ni83  1  0.393905  0.816447  0.258950  1
  Ni  Ni84  1  0.932151  0.622324  0.321415  1
  Ni  Ni85  1  0.294174  0.957934  0.276059  1
  Ni  Ni86  1  0.824007  0.763412  0.337859  1
  Ni  Ni87  1  0.423169  0.210045  0.290246  1
  Ni  Ni88  1  0.955940  0.018220  0.351545  1
  Ni  Ni89  1  0.330601  0.690351  0.359329  1
  Ni  Ni90  1  0.787269  0.872217  0.294393  1
  Ni  Ni91  1  0.451097  0.090680  0.331098  1
  Ni  Ni92  1  0.909265  0.266539  0.270046  1
  Ni  Ni93  1  0.191763  0.125365  0.277811  1
  Ni  Ni94  1  0.729656  0.940232  0.338488  1
  Ni  Ni95  1  0.512133  0.030533  0.288342  1
  Ni  Ni96  1  0.057997  0.845877  0.352043  1
  Ni  Ni97  1  0.217694  0.513942  0.319477  1
  Ni  Ni98  1  0.662900  0.664663  0.259513  1
  Ni  Ni99  1  0.567687  0.280454  0.369969  1
  Ni  Ni100  1  0.029812  0.460916  0.307559  1
  Ni  Ni101  1  0.190009  0.648857  0.274855  1
  Ni  Ni102  1  0.731542  0.453673  0.341149  1
  Ni  Ni103  1  0.512282  0.513855  0.289099  1
  Ni  Ni104  1  0.056403  0.334390  0.349895  1
  Ni  Ni105  1  0.131809  0.771610  0.308260  1
  Ni  Ni106  1  0.666631  0.591033  0.369233  1
  Ni  Ni107  1  0.430074  0.210544  0.407622  1
  Ni  Ni108  1  0.967658  0.029968  0.470228  1
  Ni  Ni109  1  0.428604  0.818109  0.488666  1
  Ni  Ni110  1  0.892228  1.000266  0.426808  1
  Ni  Ni111  1  0.505550  0.241292  0.450835  1
  Ni  Ni112  1  0.968527  0.422942  0.388737  1
  Ni  Ni113  1  0.333243  0.526771  0.480634  1
  Ni  Ni114  1  0.795737  0.709213  0.418797  1
  Ni  Ni115  1  0.601578  0.533048  0.458688  1
  Ni  Ni116  1  0.063320  0.714297  0.397132  1
  Ni  Ni117  1  0.687982  0.920220  0.427124  1
  Ni  Ni118  1  0.223771  0.740311  0.488674  1
  Ni  Ni119  1  0.173291  0.500233  0.389256  1
  Ni  Ni120  1  0.710034  0.320603  0.450840  1
  Ni  Ni121  1  0.656000  0.012601  0.384097  1
  Ni  Ni122  1  0.192156  0.834600  0.445209  1
  Ni  Ni123  1  0.391838  0.981565  0.431100  1
  Ni  Ni124  1  0.929124  0.800513  0.493879  1
  Ni  Ni125  1  0.467876  0.440432  0.384181  1
  Ni  Ni126  1  0.005709  0.259071  0.446519  1
  Ni  Ni127  1  0.366040  0.583978  0.401116  1
  Ni  Ni128  1  0.902252  0.401469  0.463681  1
  Ni  Ni129  1  0.495033  0.838672  0.413917  1
  Ni  Ni130  1  0.031414  0.657975  0.476534  1
  Ni  Ni131  1  0.405608  0.327638  0.484151  1
  Ni  Ni132  1  0.868989  0.510858  0.421997  1
  Ni  Ni133  1  0.528399  0.730720  0.455486  1
  Ni  Ni134  1  0.991631  0.913867  0.393484  1
  Ni  Ni135  1  0.265318  0.759752  0.400894  1
  Ni  Ni136  1  0.803612  0.578574  0.463582  1
  Ni  Ni137  1  0.593566  0.663819  0.413595  1
  Ni  Ni138  1  0.131309  0.481208  0.476682  1
  Ni  Ni139  1  0.291994  0.143109  0.445230  1
  Ni  Ni140  1  0.756546  0.327268  0.383544  1
  Ni  Ni141  1  0.641893  0.915667  0.494359  1
  Ni  Ni142  1  0.105483  0.098045  0.432313  1
  Ni  Ni143  1  0.267040  0.271373  0.402645  1
  Ni  Ni144  1  0.804792  0.088870  0.465280  1
  Ni  Ni145  1  0.592979  0.152735  0.412250  1
  Ni  Ni146  1  0.130309  0.970332  0.475126  1
  Ni  Ni147  1  0.205082  0.406459  0.432572  1
  Ni  Ni148  1  0.741598  0.225496  0.494265  1
  Ni  Ni149  1  0.503682  0.847658  0.532082  1
  Ni  Ni150  1  0.041266  0.667083  0.594688  1
  Ni  Ni151  1  0.502813  0.454684  0.613573  1
  Ni  Ni152  1  0.965790  0.636334  0.551475  1
  Ni  Ni153  1  0.579112  0.877360  0.575502  1
  Ni  Ni154  1  0.042737  0.059518  0.513644  1
  Ni  Ni155  1  0.408020  0.163329  0.605178  1
  Ni  Ni156  1  0.869762  0.344579  0.543622  1
  Ni  Ni157  1  0.675603  0.168414  0.583513  1
  Ni  Ni158  1  0.138097  0.350855  0.521676  1
  Ni  Ni159  1  0.761306  0.557024  0.551470  1
  Ni  Ni160  1  0.298049  0.377393  0.613053  1
  Ni  Ni161  1  0.247569  0.137316  0.513636  1
  Ni  Ni162  1  0.783358  0.957407  0.575186  1
  Ni  Ni163  1  0.729742  0.652131  0.508045  1
  Ni  Ni164  1  0.266258  0.471168  0.569738  1
  Ni  Ni165  1  0.465631  0.618556  0.555791  1
  Ni  Ni166  1  0.003465  0.437194  0.618128  1
  Ni  Ni167  1  0.542216  0.077113  0.508431  1
  Ni  Ni168  1  0.079503  0.896061  0.571210  1
  Ni  Ni169  1  0.439926  0.219652  0.525776  1
  Ni  Ni170  1  0.976308  0.038954  0.588393  1
  Ni  Ni171  1  0.569088  0.476158  0.538629  1
  Ni  Ni172  1  0.105301  0.293648  0.601194  1
  Ni  Ni173  1  0.479709  0.963760  0.608826  1
  Ni  Ni174  1  0.942941  0.146907  0.546824  1
  Ni  Ni175  1  0.602351  0.366768  0.580313  1
  Ni  Ni176  1  0.065732  0.549989  0.518159  1
  Ni  Ni177  1  0.340031  0.396418  0.525628  1
  Ni  Ni178  1  0.877774  0.213808  0.588715  1
  Ni  Ni179  1  0.667728  0.299052  0.538728  1
  Ni  Ni180  1  0.206022  0.117874  0.601416  1
  Ni  Ni181  1  0.365857  0.779582  0.569997  1
  Ni  Ni182  1  0.829447  0.961959  0.507951  1
  Ni  Ni183  1  0.714794  0.550359  0.618766  1
  Ni  Ni184  1  0.179346  0.734517  0.557079  1
  Ni  Ni185  1  0.341031  0.907295  0.527184  1
  Ni  Ni186  1  0.878361  0.724892  0.590060  1
  Ni  Ni187  1  0.666548  0.788757  0.537029  1
  Ni  Ni188  1  0.204300  0.606253  0.599665  1
  Ni  Ni189  1  0.279184  0.043027  0.557101  1
  Ni  Ni190  1  0.815340  0.865025  0.618213  1
  Ni  Ni191  1  0.578169  0.484843  0.657053  1
  Ni  Ni192  1  0.123721  0.301906  0.723181  1
  Ni  Ni193  1  0.590086  0.108107  0.739838  1
  Ni  Ni194  1  0.043698  0.269266  0.678457  1
  Ni  Ni195  1  0.655706  0.517882  0.699968  1
  Ni  Ni196  1  0.116927  0.696093  0.637827  1
  Ni  Ni197  1  0.490854  0.816012  0.730925  1
  Ni  Ni198  1  0.940532  0.977982  0.670453  1
  Ni  Ni199  1  0.760456  0.806891  0.705688  1
  Ni  Ni200  1  0.211734  0.987021  0.646585  1
  Ni  Ni201  1  0.838200  0.191522  0.677625  1
  Ni  Ni202  1  0.377929  0.015666  0.736511  1
  Ni  Ni203  1  0.321925  0.772483  0.637825  1
  Ni  Ni204  1  0.856940  0.597464  0.697335  1
  Ni  Ni205  1  0.804709  0.286593  0.633077  1
  Ni  Ni206  1  0.339531  0.106017  0.694049  1
  Ni  Ni207  1  0.539189  0.255303  0.680895  1
  Ni  Ni208  1  0.077435  0.061180  0.743360  1
  Ni  Ni209  1  0.616182  0.714294  0.633272  1
  Ni  Ni210  1  0.157681  0.527816  0.696563  1
  Ni  Ni211  1  0.515400  0.859407  0.650765  1
  Ni  Ni212  1  0.048171  0.667582  0.712064  1
  Ni  Ni213  1  0.647334  0.114214  0.664450  1
  Ni  Ni214  1  0.177166  0.919692  0.726251  1
  Ni  Ni215  1  0.562075  0.611088  0.732264  1
  Ni  Ni216  1  0.020243  0.786947  0.671212  1
  Ni  Ni217  1  0.684072  0.005410  0.707917  1
  Ni  Ni218  1  0.140739  0.187276  0.642981  1
  Ni  Ni219  1  0.413343  0.031750  0.650266  1
  Ni  Ni220  1  0.959207  0.847093  0.713968  1
  Ni  Ni221  1  0.741684  0.937394  0.663822  1
  Ni  Ni222  1  0.279577  0.752261  0.724498  1
  Ni  Ni223  1  0.441528  0.416711  0.694751  1
  Ni  Ni224  1  0.903653  0.597173  0.632341  1
  Ni  Ni225  1  0.808440  0.212963  0.742797  1
  Ni  Ni226  1  0.253646  0.363685  0.682833  1
  Ni  Ni227  1  0.414938  0.543237  0.652415  1
  Ni  Ni228  1  0.959058  0.363772  0.713211  1
  Ni  Ni229  1  0.739798  0.423953  0.661160  1
  Ni  Ni230  1  0.281331  0.228770  0.727455  1
  Ni  Ni231  1  0.357153  0.684822  0.681583  1
  Ni  Ni232  1  0.891165  0.500965  0.739714  1
