# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.83509963
_cell_length_b   24.36656898
_cell_length_c   49.82429725
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.83661803
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10617.5408533
_cell_formula_units_Z   12
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  0.138649  0.064884  0.368285  1
  Zr  Zr2  1  0.628224  0.404326  0.334591  1
  Zr  Zr3  1  0.228372  0.737594  0.293453  1
  Zr  Zr4  1  0.048703  0.237323  0.388392  1
  Zr  Zr5  1  0.626730  0.571574  0.347077  1
  Zr  Zr6  1  0.161676  0.907657  0.309744  1
  Zr  Zr7  1  0.259847  0.183103  0.313518  1
  Zr  Zr8  1  0.226163  0.510955  0.378070  1
  Zr  Zr9  1  0.741531  0.849375  0.344928  1
  Zr  Zr10  1  0.562542  0.122103  0.337632  1
  Zr  Zr11  1  0.007725  0.474704  0.301731  1
  Zr  Zr12  1  0.040946  0.790029  0.368341  1
  Zr  Zr13  1  0.780241  0.999090  0.362570  1
  Zr  Zr14  1  0.282245  0.337046  0.331397  1
  Zr  Zr15  1  0.868943  0.668775  0.290015  1
  Zr  Zr16  1  0.411989  0.305520  0.393041  1
  Zr  Zr17  1  0.997494  0.641585  0.350492  1
  Zr  Zr18  1  0.522165  0.979115  0.315518  1
  Zr  Zr19  1  0.018531  0.089306  0.304399  1
  Zr  Zr20  1  0.904865  0.420915  0.382251  1
  Zr  Zr21  1  0.490139  0.758401  0.337879  1
  Zr  Zr22  1  0.779688  0.221444  0.341150  1
  Zr  Zr23  1  0.361004  0.554922  0.299122  1
  Zr  Zr24  1  0.281084  0.883003  0.375539  1
  Zr  Zr25  1  0.537404  0.059627  0.479326  1
  Zr  Zr26  1  0.043436  0.397151  0.444396  1
  Zr  Zr27  1  0.630577  0.730804  0.402242  1
  Zr  Zr28  1  0.450476  0.231777  0.499397  1
  Zr  Zr29  1  0.035716  0.564968  0.457381  1
  Zr  Zr30  1  0.554325  0.901865  0.421198  1
  Zr  Zr31  1  0.643141  0.179227  0.422812  1
  Zr  Zr32  1  0.635058  0.503309  0.488340  1
  Zr  Zr33  1  0.138782  0.842409  0.456697  1
  Zr  Zr34  1  0.947184  0.119859  0.444283  1
  Zr  Zr35  1  0.444897  0.458306  0.413378  1
  Zr  Zr36  1  0.442086  0.783749  0.478280  1
  Zr  Zr37  1  0.177204  0.991476  0.474587  1
  Zr  Zr38  1  0.680164  0.328808  0.441686  1
  Zr  Zr39  1  0.264417  0.663204  0.398566  1
  Zr  Zr40  1  0.816950  0.298864  0.502679  1
  Zr  Zr41  1  0.401722  0.633343  0.459356  1
  Zr  Zr42  1  0.909579  0.970859  0.426374  1
  Zr  Zr43  1  0.403020  0.086250  0.415117  1
  Zr  Zr44  1  0.311353  0.414059  0.492910  1
  Zr  Zr45  1  0.897251  0.749853  0.448926  1
  Zr  Zr46  1  0.184706  0.211862  0.452791  1
  Zr  Zr47  1  0.767515  0.547606  0.409001  1
  Zr  Zr48  1  0.682518  0.876015  0.486459  1
  Zr  Zr49  1  0.934097  0.053350  0.590624  1
  Zr  Zr50  1  0.451933  0.390262  0.554661  1
  Zr  Zr51  1  0.037139  0.723398  0.512605  1
  Zr  Zr52  1  0.857142  0.224437  0.609771  1
  Zr  Zr53  1  0.444217  0.558061  0.567646  1
  Zr  Zr54  1  0.950219  0.895576  0.532663  1
  Zr  Zr55  1  0.045540  0.171485  0.533712  1
  Zr  Zr56  1  0.042782  0.496875  0.598661  1
  Zr  Zr57  1  0.540264  0.835351  0.567702  1
  Zr  Zr58  1  0.349080  0.112782  0.555282  1
  Zr  Zr59  1  0.852627  0.451885  0.523703  1
  Zr  Zr60  1  0.844343  0.775956  0.589135  1
  Zr  Zr61  1  0.577922  0.984356  0.585486  1
  Zr  Zr62  1  0.085949  0.321884  0.552661  1
  Zr  Zr63  1  0.670680  0.656359  0.509347  1
  Zr  Zr64  1  0.223246  0.292033  0.613455  1
  Zr  Zr65  1  0.807489  0.626372  0.570331  1
  Zr  Zr66  1  0.310409  0.963686  0.537364  1
  Zr  Zr67  1  0.805243  0.079177  0.525498  1
  Zr  Zr68  1  0.720171  0.407615  0.603052  1
  Zr  Zr69  1  0.302899  0.743346  0.559214  1
  Zr  Zr70  1  0.590270  0.205400  0.563093  1
  Zr  Zr71  1  0.176325  0.541136  0.519127  1
  Zr  Zr72  1  0.084581  0.868876  0.596864  1
  Zr  Zr73  1  0.327941  0.047259  0.701092  1
  Zr  Zr74  1  0.861040  0.383665  0.664991  1
  Zr  Zr75  1  0.439057  0.717830  0.623584  1
  Zr  Zr76  1  0.260111  0.216811  0.718506  1
  Zr  Zr77  1  0.859467  0.550968  0.677456  1
  Zr  Zr78  1  0.348263  0.890494  0.643732  1
  Zr  Zr79  1  0.447424  0.164977  0.643784  1
  Zr  Zr80  1  0.479948  0.480631  0.710314  1
  Zr  Zr81  1  0.923642  0.832577  0.674154  1
  Zr  Zr82  1  0.747675  0.105908  0.667058  1
  Zr  Zr83  1  0.261571  0.444281  0.633991  1
  Zr  Zr84  1  0.227571  0.772439  0.698483  1
  Zr  Zr85  1  0.966513  0.976173  0.696466  1
  Zr  Zr86  1  0.490266  0.313677  0.661568  1
  Zr  Zr87  1  0.075684  0.649700  0.618999  1
  Zr  Zr88  1  0.619211  0.286395  0.722050  1
  Zr  Zr89  1  0.205390  0.618178  0.680612  1
  Zr  Zr90  1  0.707645  0.956240  0.649204  1
  Zr  Zr91  1  0.206793  0.072147  0.636278  1
  Zr  Zr92  1  0.126817  0.400230  0.712915  1
  Zr  Zr93  1  0.707438  0.734024  0.670964  1
  Zr  Zr94  1  0.997221  0.197054  0.674042  1
  Zr  Zr95  1  0.582845  0.534326  0.629809  1
  Zr  Zr96  1  0.468896  0.866153  0.706966  1
  Ni  Ni97  1  0.976931  0.989743  0.282990  1
  Ni  Ni98  1  0.842532  0.322686  0.360528  1
  Ni  Ni99  1  0.428801  0.654887  0.317822  1
  Ni  Ni100  1  0.758338  0.041425  0.310093  1
  Ni  Ni101  1  0.638779  0.371812  0.391048  1
  Ni  Ni102  1  0.230956  0.705852  0.346627  1
  Ni  Ni103  1  0.054207  0.268977  0.332744  1
  Ni  Ni104  1  0.632827  0.603722  0.289892  1
  Ni  Ni105  1  0.548218  0.933794  0.365969  1
  Ni  Ni106  1  0.730859  0.146549  0.299323  1
  Ni  Ni107  1  0.629432  0.476532  0.376968  1
  Ni  Ni108  1  0.214675  0.812883  0.331098  1
  Ni  Ni109  1  0.059537  0.163732  0.347094  1
  Ni  Ni110  1  0.640792  0.500524  0.303599  1
  Ni  Ni111  1  0.555542  0.827919  0.381499  1
  Ni  Ni112  1  0.487265  0.084499  0.292372  1
  Ni  Ni113  1  0.395113  0.405361  0.364656  1
  Ni  Ni114  1  0.984105  0.737775  0.322831  1
  Ni  Ni115  1  0.290152  0.240415  0.358787  1
  Ni  Ni116  1  0.865667  0.572289  0.317430  1
  Ni  Ni117  1  0.799045  0.903945  0.390127  1
  Ni  Ni118  1  0.295627  0.077105  0.326894  1
  Ni  Ni119  1  0.785275  0.408132  0.291824  1
  Ni  Ni120  1  0.782409  0.737628  0.357229  1
  Ni  Ni121  1  0.469363  0.037655  0.362499  1
  Ni  Ni122  1  0.973609  0.376278  0.327555  1
  Ni  Ni123  1  0.557395  0.710744  0.285746  1
  Ni  Ni124  1  0.720591  0.266690  0.394588  1
  Ni  Ni125  1  0.304139  0.601732  0.350858  1
  Ni  Ni126  1  0.830013  0.936835  0.315074  1
  Ni  Ni127  1  0.549920  0.202580  0.372971  1
  Ni  Ni128  1  0.140060  0.538107  0.329662  1
  Ni  Ni129  1  0.648257  0.872420  0.296983  1
  Ni  Ni130  1  0.641255  0.100001  0.385747  1
  Ni  Ni131  1  0.120298  0.438948  0.350545  1
  Ni  Ni132  1  0.727336  0.770224  0.306999  1
  Ni  Ni133  1  0.959880  0.202831  0.300047  1
  Ni  Ni134  1  0.938250  0.535075  0.365201  1
  Ni  Ni135  1  0.443335  0.874826  0.331818  1
  Ni  Ni136  1  0.850169  0.101941  0.347809  1
  Ni  Ni137  1  0.311955  0.443291  0.315990  1
  Ni  Ni138  1  0.333268  0.766113  0.383331  1
  Ni  Ni139  1  0.329463  0.142430  0.368140  1
  Ni  Ni140  1  0.826527  0.474983  0.337860  1
  Ni  Ni141  1  0.436825  0.814450  0.293216  1
  Ni  Ni142  1  0.850576  0.163862  0.386426  1
  Ni  Ni143  1  0.433765  0.500431  0.343943  1
  Ni  Ni144  1  0.950196  0.834644  0.308283  1
  Ni  Ni145  1  0.810979  0.308574  0.310682  1
  Ni  Ni146  1  0.767131  0.637654  0.379489  1
  Ni  Ni147  1  0.282088  0.973728  0.345409  1
  Ni  Ni148  1  0.020087  0.998342  0.332579  1
  Ni  Ni149  1  0.543965  0.325757  0.302966  1
  Ni  Ni150  1  0.497159  0.666089  0.367969  1
  Ni  Ni151  1  0.576045  0.307916  0.351998  1
  Ni  Ni152  1  0.154037  0.639184  0.308457  1
  Ni  Ni153  1  0.071978  0.968853  0.384007  1
  Ni  Ni154  1  0.238456  0.005517  0.297517  1
  Ni  Ni155  1  0.111826  0.335009  0.372122  1
  Ni  Ni156  1  0.696050  0.668220  0.329311  1
  Ni  Ni157  1  0.490040  0.237851  0.324919  1
  Ni  Ni158  1  0.466020  0.567091  0.391653  1
  Ni  Ni159  1  0.000719  0.899680  0.352843  1
  Ni  Ni160  1  0.343682  0.983179  0.395566  1
  Ni  Ni161  1  0.243413  0.314703  0.472403  1
  Ni  Ni162  1  0.835853  0.647455  0.429361  1
  Ni  Ni163  1  0.142228  0.034580  0.424044  1
  Ni  Ni164  1  0.042847  0.365118  0.502376  1
  Ni  Ni165  1  0.633567  0.699206  0.458368  1
  Ni  Ni166  1  0.446815  0.262865  0.443568  1
  Ni  Ni167  1  0.036845  0.597165  0.400065  1
  Ni  Ni168  1  0.944897  0.927081  0.477089  1
  Ni  Ni169  1  0.124143  0.139701  0.406707  1
  Ni  Ni170  1  0.040581  0.469570  0.487501  1
  Ni  Ni171  1  0.623144  0.805233  0.441991  1
  Ni  Ni172  1  0.462071  0.157382  0.459797  1
  Ni  Ni173  1  0.038825  0.492512  0.414370  1
  Ni  Ni174  1  0.957619  0.821278  0.493665  1
  Ni  Ni175  1  0.897453  0.066064  0.398716  1
  Ni  Ni176  1  0.808269  0.398237  0.474782  1
  Ni  Ni177  1  0.390317  0.730070  0.432434  1
  Ni  Ni178  1  0.691023  0.231890  0.468943  1
  Ni  Ni179  1  0.271005  0.563898  0.427246  1
  Ni  Ni180  1  0.192862  0.896418  0.502140  1
  Ni  Ni181  1  0.693957  0.067818  0.435096  1
  Ni  Ni182  1  0.202143  0.402237  0.400140  1
  Ni  Ni183  1  0.191247  0.730192  0.467761  1
  Ni  Ni184  1  0.871192  0.032234  0.472571  1
  Ni  Ni185  1  0.373117  0.366971  0.439114  1
  Ni  Ni186  1  0.958827  0.703182  0.396099  1
  Ni  Ni187  1  0.120243  0.259434  0.505887  1
  Ni  Ni188  1  0.705988  0.595091  0.462672  1
  Ni  Ni189  1  0.216228  0.929544  0.428576  1
  Ni  Ni190  1  0.952679  0.196014  0.483064  1
  Ni  Ni191  1  0.547285  0.531576  0.439768  1
  Ni  Ni192  1  0.050298  0.867233  0.405739  1
  Ni  Ni193  1  0.037793  0.095077  0.495364  1
  Ni  Ni194  1  0.532276  0.430181  0.462018  1
  Ni  Ni195  1  0.130072  0.765817  0.418688  1
  Ni  Ni196  1  0.345814  0.201805  0.408107  1
  Ni  Ni197  1  0.348102  0.527058  0.475234  1
  Ni  Ni198  1  0.845599  0.867026  0.440985  1
  Ni  Ni199  1  0.241203  0.095315  0.460154  1
  Ni  Ni200  1  0.732153  0.435045  0.426332  1
  Ni  Ni201  1  0.737348  0.759504  0.493976  1
  Ni  Ni202  1  0.734240  0.134073  0.479091  1
  Ni  Ni203  1  0.236488  0.468909  0.447100  1
  Ni  Ni204  1  0.824788  0.806080  0.402814  1
  Ni  Ni205  1  0.257416  0.156834  0.498873  1
  Ni  Ni206  1  0.843056  0.493026  0.454832  1
  Ni  Ni207  1  0.352669  0.827963  0.421647  1
  Ni  Ni208  1  0.177758  0.302791  0.422562  1
  Ni  Ni209  1  0.173790  0.631439  0.489790  1
  Ni  Ni210  1  0.676878  0.967870  0.456272  1
  Ni  Ni211  1  0.411253  0.993480  0.444829  1
  Ni  Ni212  1  0.910544  0.330239  0.410851  1
  Ni  Ni213  1  0.902639  0.658693  0.479216  1
  Ni  Ni214  1  0.980043  0.301500  0.461457  1
  Ni  Ni215  1  0.566882  0.634862  0.417755  1
  Ni  Ni216  1  0.473996  0.963323  0.495289  1
  Ni  Ni217  1  0.615110  0.998462  0.405677  1
  Ni  Ni218  1  0.514050  0.327829  0.483446  1
  Ni  Ni219  1  0.100823  0.661241  0.440267  1
  Ni  Ni220  1  0.892542  0.232769  0.433903  1
  Ni  Ni221  1  0.875756  0.559765  0.501624  1
  Ni  Ni222  1  0.395170  0.894115  0.465990  1
  Ni  Ni223  1  0.743812  0.977598  0.505976  1
  Ni  Ni224  1  0.651760  0.307758  0.582685  1
  Ni  Ni225  1  0.244251  0.640493  0.539618  1
  Ni  Ni226  1  0.542711  0.028116  0.534858  1
  Ni  Ni227  1  0.450839  0.358064  0.611987  1
  Ni  Ni228  1  0.040828  0.692321  0.568451  1
  Ni  Ni229  1  0.854037  0.256028  0.553653  1
  Ni  Ni230  1  0.444834  0.590091  0.509646  1
  Ni  Ni231  1  0.345243  0.920618  0.587916  1
  Ni  Ni232  1  0.530148  0.133929  0.518314  1
  Ni  Ni233  1  0.448872  0.462717  0.597681  1
  Ni  Ni234  1  0.025531  0.797787  0.552183  1
  Ni  Ni235  1  0.864440  0.150063  0.570016  1
  Ni  Ni236  1  0.447090  0.485643  0.524538  1
  Ni  Ni237  1  0.363917  0.815599  0.605442  1
  Ni  Ni238  1  0.294887  0.058764  0.509784  1
  Ni  Ni239  1  0.216664  0.391326  0.584803  1
  Ni  Ni240  1  0.796604  0.723294  0.543063  1
  Ni  Ni241  1  0.097363  0.225180  0.579582  1
  Ni  Ni242  1  0.679354  0.556966  0.537252  1
  Ni  Ni243  1  0.589468  0.889187  0.613257  1
  Ni  Ni244  1  0.093030  0.061062  0.545874  1
  Ni  Ni245  1  0.611872  0.395438  0.510412  1
  Ni  Ni246  1  0.595061  0.722430  0.578100  1
  Ni  Ni247  1  0.271557  0.025622  0.583419  1
  Ni  Ni248  1  0.781613  0.360119  0.549365  1
  Ni  Ni249  1  0.367418  0.695773  0.506126  1
  Ni  Ni250  1  0.528708  0.252033  0.615950  1
  Ni  Ni251  1  0.114537  0.588224  0.572928  1
  Ni  Ni252  1  0.616502  0.922934  0.539362  1
  Ni  Ni253  1  0.357710  0.189372  0.593347  1
  Ni  Ni254  1  0.955382  0.525014  0.550021  1
  Ni  Ni255  1  0.449841  0.860156  0.516584  1
  Ni  Ni256  1  0.438002  0.087927  0.606182  1
  Ni  Ni257  1  0.940385  0.423607  0.572276  1
  Ni  Ni258  1  0.534915  0.759220  0.528935  1
  Ni  Ni259  1  0.750272  0.195721  0.518037  1
  Ni  Ni260  1  0.755491  0.520157  0.585712  1
  Ni  Ni261  1  0.246336  0.859891  0.551809  1
  Ni  Ni262  1  0.642307  0.088203  0.570959  1
  Ni  Ni263  1  0.139568  0.428157  0.536804  1
  Ni  Ni264  1  0.141929  0.753414  0.603876  1
  Ni  Ni265  1  0.135189  0.127311  0.590271  1
  Ni  Ni266  1  0.644613  0.462183  0.557207  1
  Ni  Ni267  1  0.230192  0.798353  0.513129  1
  Ni  Ni268  1  0.662727  0.149235  0.609161  1
  Ni  Ni269  1  0.251197  0.486298  0.564943  1
  Ni  Ni270  1  0.753408  0.821123  0.532901  1
  Ni  Ni271  1  0.584963  0.296525  0.532814  1
  Ni  Ni272  1  0.577130  0.624948  0.601181  1
  Ni  Ni273  1  0.076507  0.961691  0.567117  1
  Ni  Ni274  1  0.810747  0.987331  0.555662  1
  Ni  Ni275  1  0.313912  0.323747  0.522230  1
  Ni  Ni276  1  0.309861  0.652413  0.589455  1
  Ni  Ni277  1  0.386805  0.294002  0.571767  1
  Ni  Ni278  1  0.973647  0.627359  0.528577  1
  Ni  Ni279  1  0.872762  0.956777  0.606174  1
  Ni  Ni280  1  0.013621  0.991839  0.516669  1
  Ni  Ni281  1  0.920756  0.320406  0.594255  1
  Ni  Ni282  1  0.507580  0.653699  0.550572  1
  Ni  Ni283  1  0.296356  0.225019  0.544271  1
  Ni  Ni284  1  0.285553  0.553002  0.611912  1
  Ni  Ni285  1  0.793341  0.887401  0.576896  1
  Ni  Ni286  1  0.143620  0.971907  0.616400  1
  Ni  Ni287  1  0.059299  0.300150  0.694227  1
  Ni  Ni288  1  0.645056  0.632649  0.651510  1
  Ni  Ni289  1  0.939633  0.021369  0.645993  1
  Ni  Ni290  1  0.855280  0.351374  0.722159  1
  Ni  Ni291  1  0.433373  0.686402  0.679328  1
  Ni  Ni292  1  0.257002  0.249274  0.665374  1
  Ni  Ni293  1  0.848878  0.583366  0.620979  1
  Ni  Ni294  1  0.730755  0.913760  0.701327  1
  Ni  Ni295  1  0.932382  0.127263  0.630346  1
  Ni  Ni296  1  0.846977  0.454689  0.708468  1
  Ni  Ni297  1  0.427783  0.791551  0.664804  1
  Ni  Ni298  1  0.272404  0.142158  0.680760  1
  Ni  Ni299  1  0.858318  0.478687  0.635095  1
  Ni  Ni300  1  0.755686  0.809256  0.712718  1
  Ni  Ni301  1  0.690092  0.051402  0.621627  1
  Ni  Ni302  1  0.622239  0.382953  0.694669  1
  Ni  Ni303  1  0.197721  0.714884  0.653213  1
  Ni  Ni304  1  0.503961  0.217557  0.689217  1
  Ni  Ni305  1  0.092542  0.549840  0.647375  1
  Ni  Ni306  1  -0.000404  0.870559  0.719441  1
  Ni  Ni307  1  0.489222  0.055563  0.658635  1
  Ni  Ni308  1  0.021699  0.388113  0.620406  1
  Ni  Ni309  1  0.997807  0.717348  0.687014  1
  Ni  Ni310  1  0.659147  0.018497  0.696427  1
  Ni  Ni311  1  0.183687  0.353460  0.661201  1
  Ni  Ni312  1  0.766972  0.688455  0.617406  1
  Ni  Ni313  1  0.930847  0.244245  0.726242  1
  Ni  Ni314  1  0.514066  0.579032  0.684478  1
  Ni  Ni315  1  0.017414  0.917435  0.649546  1
  Ni  Ni316  1  0.760548  0.184889  0.705020  1
  Ni  Ni317  1  0.367453  0.516287  0.661507  1
  Ni  Ni318  1  0.845847  0.855300  0.626144  1
  Ni  Ni319  1  0.839641  0.082620  0.715003  1
  Ni  Ni320  1  0.347774  0.417106  0.682407  1
  Ni  Ni321  1  0.937617  0.752446  0.638908  1
  Ni  Ni322  1  0.154845  0.189030  0.628670  1
  Ni  Ni323  1  0.175737  0.511981  0.696049  1
  Ni  Ni324  1  0.636536  0.853687  0.663979  1
  Ni  Ni325  1  0.045577  0.079909  0.680170  1
  Ni  Ni326  1  0.549504  0.420150  0.646867  1
  Ni  Ni327  1  0.527043  0.753069  0.711976  1
  Ni  Ni328  1  0.537441  0.120554  0.703423  1
  Ni  Ni329  1  0.054010  0.454787  0.668118  1
  Ni  Ni330  1  0.637271  0.791309  0.625587  1
  Ni  Ni331  1  0.051153  0.140410  0.718579  1
  Ni  Ni332  1  0.661239  0.480259  0.674204  1
  Ni  Ni333  1  0.157882  0.812807  0.643869  1
  Ni  Ni334  1  0.990622  0.289217  0.644046  1
  Ni  Ni335  1  0.943606  0.629620  0.709057  1
  Ni  Ni336  1  0.468703  0.956894  0.679149  1
  Ni  Ni337  1  0.205806  0.981085  0.666522  1
  Ni  Ni338  1  0.720655  0.317538  0.632557  1
  Ni  Ni339  1  0.676662  0.646738  0.701334  1
  Ni  Ni340  1  0.791729  0.287051  0.682739  1
  Ni  Ni341  1  0.375883  0.620256  0.639922  1
  Ni  Ni342  1  0.251197  0.950062  0.714396  1
  Ni  Ni343  1  0.415425  0.986359  0.628099  1
  Ni  Ni344  1  0.333721  0.315787  0.703621  1
  Ni  Ni345  1  0.911376  0.647348  0.660013  1
  Ni  Ni346  1  0.705187  0.217669  0.654804  1
  Ni  Ni347  1  0.702406  0.547160  0.720206  1
  Ni  Ni348  1  0.191363  0.878273  0.685152  1
