# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.60604136
_cell_length_b   29.07411950
_cell_length_c   47.62841005
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.08417061
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10532.4854739
_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  0.142201  0.673206  0.367435  1
  Zr  Zr2  1  0.213101  0.089813  0.292669  1
  Zr  Zr3  1  0.179523  0.382412  0.330359  1
  Zr  Zr4  1  0.246910  0.900162  0.315353  1
  Zr  Zr5  1  0.209913  0.190896  0.353104  1
  Zr  Zr6  1  0.300830  0.606174  0.283286  1
  Zr  Zr7  1  0.702789  0.897847  0.272289  1
  Zr  Zr8  1  0.705411  0.182931  0.306685  1
  Zr  Zr9  1  0.672537  0.473515  0.344915  1
  Zr  Zr10  1  0.768097  0.810565  0.302301  1
  Zr  Zr11  1  0.711148  0.100043  0.338907  1
  Zr  Zr12  1  0.681251  0.391506  0.376601  1
  Zr  Zr13  1  0.795142  0.679012  0.303722  1
  Zr  Zr14  1  0.738263  0.969538  0.340242  1
  Zr  Zr15  1  0.705048  0.260852  0.376980  1
  Zr  Zr16  1  0.727459  0.023145  0.274745  1
  Zr  Zr17  1  0.688522  0.317046  0.306836  1
  Zr  Zr18  1  0.651399  0.602090  0.344154  1
  Zr  Zr19  1  0.290940  0.746596  0.318919  1
  Zr  Zr20  1  0.231680  0.036621  0.357562  1
  Zr  Zr21  1  0.327462  0.457666  0.287111  1
  Zr  Zr22  1  0.121447  0.827615  0.364592  1
  Zr  Zr23  1  0.196461  0.248620  0.290261  1
  Zr  Zr24  1  0.157079  0.536433  0.328003  1
  Zr  Zr25  1  0.031553  0.545278  0.478326  1
  Zr  Zr26  1  0.102034  0.963338  0.403689  1
  Zr  Zr27  1  0.066365  0.254016  0.440929  1
  Zr  Zr28  1  0.141807  0.772836  0.428939  1
  Zr  Zr29  1  0.104801  0.063392  0.465760  1
  Zr  Zr30  1  0.176786  0.481903  0.392159  1
  Zr  Zr31  1  0.634490  0.763751  0.382869  1
  Zr  Zr32  1  0.601308  0.054326  0.419871  1
  Zr  Zr33  1  0.566860  0.344585  0.456849  1
  Zr  Zr34  1  0.644051  0.681783  0.413526  1
  Zr  Zr35  1  0.603805  0.972433  0.450529  1
  Zr  Zr36  1  0.568825  0.263132  0.487639  1
  Zr  Zr37  1  0.669785  0.551524  0.414645  1
  Zr  Zr38  1  0.632353  0.842293  0.452112  1
  Zr  Zr39  1  0.596216  0.133061  0.489024  1
  Zr  Zr40  1  0.609656  0.893120  0.381415  1
  Zr  Zr41  1  0.574048  0.184939  0.417639  1
  Zr  Zr42  1  0.539577  0.475697  0.455722  1
  Zr  Zr43  1  0.162803  0.617815  0.432912  1
  Zr  Zr44  1  0.124920  0.908529  0.469977  1
  Zr  Zr45  1  0.197776  0.326714  0.395965  1
  Zr  Zr46  1  0.012518  0.700238  0.474812  1
  Zr  Zr47  1  0.081999  0.118695  0.399940  1
  Zr  Zr48  1  0.047230  0.409051  0.437492  1
  Zr  Zr49  1  0.924128  0.417275  0.589614  1
  Zr  Zr50  1  0.995956  0.835914  0.515864  1
  Zr  Zr51  1  0.959186  0.126436  0.552822  1
  Zr  Zr52  1  0.034273  0.645288  0.540797  1
  Zr  Zr53  1  0.998661  0.935953  0.577912  1
  Zr  Zr54  1  0.069081  0.353911  0.503466  1
  Zr  Zr55  1  0.531872  0.636137  0.494102  1
  Zr  Zr56  1  0.497068  0.926867  0.531047  1
  Zr  Zr57  1  0.457208  0.217587  0.568077  1
  Zr  Zr58  1  0.533740  0.554664  0.524877  1
  Zr  Zr59  1  0.499485  0.844988  0.561737  1
  Zr  Zr60  1  0.467521  0.135642  0.598738  1
  Zr  Zr61  1  0.561051  0.423498  0.526044  1
  Zr  Zr62  1  0.526595  0.714404  0.564041  1
  Zr  Zr63  1  0.491249  0.005953  0.600134  1
  Zr  Zr64  1  0.504541  0.766260  0.492676  1
  Zr  Zr65  1  0.468588  0.056990  0.529473  1
  Zr  Zr66  1  0.431000  0.347674  0.567167  1
  Zr  Zr67  1  0.053359  0.490179  0.544264  1
  Zr  Zr68  1  0.018544  0.780643  0.581723  1
  Zr  Zr69  1  0.088071  0.199005  0.506937  1
  Zr  Zr70  1  0.902918  0.572601  0.585741  1
  Zr  Zr71  1  0.975914  0.990807  0.511643  1
  Zr  Zr72  1  0.937973  0.281352  0.548946  1
  Zr  Zr73  1  0.799351  0.294410  0.698179  1
  Zr  Zr74  1  0.890530  0.708509  0.628589  1
  Zr  Zr75  1  0.851433  0.999527  0.666524  1
  Zr  Zr76  1  0.921400  0.517048  0.651326  1
  Zr  Zr77  1  0.887054  0.809546  0.689011  1
  Zr  Zr78  1  0.958628  0.225691  0.614859  1
  Zr  Zr79  1  0.419573  0.507820  0.605077  1
  Zr  Zr80  1  0.388886  0.799247  0.642724  1
  Zr  Zr81  1  0.328724  0.086801  0.679108  1
  Zr  Zr82  1  0.428193  0.425878  0.636743  1
  Zr  Zr83  1  0.395166  0.716410  0.675031  1
  Zr  Zr84  1  0.399274  0.999283  0.709592  1
  Zr  Zr85  1  0.449944  0.297429  0.637608  1
  Zr  Zr86  1  0.412169  0.582357  0.674851  1
  Zr  Zr87  1  0.372498  0.876329  0.706901  1
  Zr  Zr88  1  0.395563  0.638541  0.604714  1
  Zr  Zr89  1  0.361383  0.929887  0.641448  1
  Zr  Zr90  1  0.306634  0.221060  0.677089  1
  Zr  Zr91  1  0.943813  0.362884  0.653714  1
  Zr  Zr92  1  0.904215  0.650732  0.691459  1
  Zr  Zr93  1  0.979367  0.071669  0.617270  1
  Zr  Zr94  1  0.773874  0.442552  0.694493  1
  Zr  Zr95  1  0.868317  0.862714  0.624062  1
  Zr  Zr96  1  0.808087  0.152720  0.663003  1
  Ni  Ni97  1  0.267793  0.698092  0.268286  1
  Ni  Ni98  1  0.223230  0.995158  0.303409  1
  Ni  Ni99  1  0.193771  0.286121  0.341779  1
  Ni  Ni100  1  0.999466  0.745955  0.283281  1
  Ni  Ni101  1  0.948229  0.034596  0.318764  1
  Ni  Ni102  1  0.909739  0.326089  0.354999  1
  Ni  Ni103  1  0.519580  0.957527  0.295324  1
  Ni  Ni104  1  0.488324  0.247870  0.329021  1
  Ni  Ni105  1  0.447799  0.537797  0.366908  1
  Ni  Ni106  1  0.101235  0.818043  0.309848  1
  Ni  Ni107  1  0.041770  0.111681  0.340011  1
  Ni  Ni108  1  0.106633  0.528446  0.274109  1
  Ni  Ni109  1  0.305300  0.753716  0.377724  1
  Ni  Ni110  1  0.376985  0.173835  0.303247  1
  Ni  Ni111  1  0.344099  0.463149  0.342204  1
  Ni  Ni112  1  0.805316  0.683697  0.360346  1
  Ni  Ni113  1  0.878204  0.103331  0.288965  1
  Ni  Ni114  1  0.844045  0.393604  0.322137  1
  Ni  Ni115  1  0.587388  0.887928  0.325199  1
  Ni  Ni116  1  0.545807  0.179634  0.360634  1
  Ni  Ni117  1  0.640562  0.598943  0.289229  1
  Ni  Ni118  1  0.477541  0.685288  0.358816  1
  Ni  Ni119  1  0.547454  0.104495  0.286223  1
  Ni  Ni120  1  0.511356  0.395525  0.323230  1
  Ni  Ni121  1  0.562759  0.742011  0.279419  1
  Ni  Ni122  1  0.504113  0.035493  0.316341  1
  Ni  Ni123  1  0.476074  0.325516  0.352781  1
  Ni  Ni124  1  0.935998  0.954533  0.294740  1
  Ni  Ni125  1  0.908615  0.248087  0.329913  1
  Ni  Ni126  1  0.876699  0.538069  0.367909  1
  Ni  Ni127  1  0.787771  0.824759  0.353562  1
  Ni  Ni128  1  0.863105  0.250101  0.277817  1
  Ni  Ni129  1  0.832682  0.532642  0.311529  1
  Ni  Ni130  1  0.623746  0.745582  0.330380  1
  Ni  Ni131  1  0.565756  0.036136  0.368645  1
  Ni  Ni132  1  0.670736  0.453059  0.291993  1
  Ni  Ni133  1  0.451659  0.821118  0.347728  1
  Ni  Ni134  1  0.528977  0.247571  0.277397  1
  Ni  Ni135  1  0.489687  0.532261  0.311899  1
  Ni  Ni136  1  0.952763  0.749550  0.334722  1
  Ni  Ni137  1  0.899675  0.042419  0.370999  1
  Ni  Ni138  1  0.993255  0.456724  0.295802  1
  Ni  Ni139  1  0.427829  0.825028  0.295703  1
  Ni  Ni140  1  0.382139  0.112730  0.337055  1
  Ni  Ni141  1  0.351709  0.402235  0.376567  1
  Ni  Ni142  1  0.025694  0.873396  0.274810  1
  Ni  Ni143  1  0.036000  0.172967  0.305416  1
  Ni  Ni144  1  1.000570  0.461095  0.345042  1
  Ni  Ni145  1  0.282038  0.902846  0.373444  1
  Ni  Ni146  1  0.360297  0.321028  0.300938  1
  Ni  Ni147  1  0.323587  0.611579  0.337649  1
  Ni  Ni148  1  0.122510  0.669951  0.311249  1
  Ni  Ni149  1  0.068103  0.959236  0.345913  1
  Ni  Ni150  1  0.159918  0.378762  0.275963  1
  Ni  Ni151  1  0.936949  0.899752  0.376241  1
  Ni  Ni152  1  0.014153  0.318684  0.302758  1
  Ni  Ni153  1  0.976716  0.609168  0.339096  1
  Ni  Ni154  1  0.464374  0.672390  0.308578  1
  Ni  Ni155  1  0.407500  0.963776  0.345259  1
  Ni  Ni156  1  0.498763  0.382953  0.273914  1
  Ni  Ni157  1  0.911789  0.887474  0.325272  1
  Ni  Ni158  1  0.874709  0.179849  0.361532  1
  Ni  Ni159  1  0.966005  0.601071  0.289714  1
  Ni  Ni160  1  0.158042  0.577825  0.379645  1
  Ni  Ni161  1  0.121509  0.868715  0.416705  1
  Ni  Ni162  1  0.085626  0.158805  0.453292  1
  Ni  Ni163  1  0.871835  0.616704  0.392501  1
  Ni  Ni164  1  0.832671  0.907878  0.429526  1
  Ni  Ni165  1  0.796798  0.198411  0.466310  1
  Ni  Ni166  1  0.410003  0.828195  0.403147  1
  Ni  Ni167  1  0.373934  0.119242  0.440300  1
  Ni  Ni168  1  0.338750  0.409893  0.478041  1
  Ni  Ni169  1  0.973504  0.691426  0.417577  1
  Ni  Ni170  1  0.934374  0.982631  0.453976  1
  Ni  Ni171  1  1.009504  0.401220  0.379926  1
  Ni  Ni172  1  0.201488  0.626126  0.490593  1
  Ni  Ni173  1  0.271048  0.044341  0.415418  1
  Ni  Ni174  1  0.236180  0.334921  0.453422  1
  Ni  Ni175  1  0.696870  0.556942  0.471951  1
  Ni  Ni176  1  0.767374  0.975204  0.397593  1
  Ni  Ni177  1  0.731740  0.265741  0.434387  1
  Ni  Ni178  1  0.477089  0.761133  0.435777  1
  Ni  Ni179  1  0.438791  0.051793  0.472469  1
  Ni  Ni180  1  0.512395  0.470388  0.399143  1
  Ni  Ni181  1  0.367954  0.556912  0.470747  1
  Ni  Ni182  1  0.437917  0.974614  0.396671  1
  Ni  Ni183  1  0.402732  0.265794  0.433218  1
  Ni  Ni184  1  0.440165  0.616406  0.389982  1
  Ni  Ni185  1  0.401336  0.906219  0.426818  1
  Ni  Ni186  1  0.366167  0.197208  0.463793  1
  Ni  Ni187  1  0.840437  0.829833  0.406295  1
  Ni  Ni188  1  0.804672  0.120547  0.442906  1
  Ni  Ni189  1  0.769754  0.411001  0.480428  1
  Ni  Ni190  1  0.679087  0.699169  0.465210  1
  Ni  Ni191  1  0.747602  0.117908  0.390575  1
  Ni  Ni192  1  0.713329  0.408282  0.428204  1
  Ni  Ni193  1  0.496648  0.618669  0.442507  1
  Ni  Ni194  1  0.458549  0.909160  0.479454  1
  Ni  Ni195  1  0.531632  0.327779  0.405272  1
  Ni  Ni196  1  0.345931  0.694509  0.462341  1
  Ni  Ni197  1  0.415539  0.112684  0.387208  1
  Ni  Ni198  1  0.381306  0.403620  0.425550  1
  Ni  Ni199  1  0.828972  0.623165  0.445454  1
  Ni  Ni200  1  0.791380  0.914237  0.482560  1
  Ni  Ni201  1  0.864314  0.332232  0.408158  1
  Ni  Ni202  1  0.314474  0.693644  0.413139  1
  Ni  Ni203  1  0.274674  0.983638  0.449669  1
  Ni  Ni204  1  0.239619  0.273970  0.487112  1
  Ni  Ni205  1  0.961347  0.752338  0.383953  1
  Ni  Ni206  1  0.930855  0.043373  0.419873  1
  Ni  Ni207  1  0.895691  0.333865  0.457276  1
  Ni  Ni208  1  0.176487  0.775602  0.486320  1
  Ni  Ni209  1  0.246392  0.193948  0.411169  1
  Ni  Ni210  1  0.211478  0.484779  0.449090  1
  Ni  Ni211  1  0.996915  0.542377  0.420961  1
  Ni  Ni212  1  0.960179  0.833039  0.458654  1
  Ni  Ni213  1  0.032469  0.250890  0.383406  1
  Ni  Ni214  1  0.832434  0.772257  0.488174  1
  Ni  Ni215  1  0.902571  0.190741  0.413045  1
  Ni  Ni216  1  0.867847  0.481571  0.450844  1
  Ni  Ni217  1  0.341583  0.545630  0.419832  1
  Ni  Ni218  1  0.304478  0.836223  0.456681  1
  Ni  Ni219  1  0.376290  0.254479  0.382161  1
  Ni  Ni220  1  0.806388  0.761028  0.436881  1
  Ni  Ni221  1  0.768424  0.051918  0.473736  1
  Ni  Ni222  1  0.841563  0.470482  0.399974  1
  Ni  Ni223  1  0.050294  0.449588  0.490887  1
  Ni  Ni224  1  0.015001  0.740517  0.528397  1
  Ni  Ni225  1  0.979232  0.030648  0.564970  1
  Ni  Ni226  1  0.761871  0.489304  0.503722  1
  Ni  Ni227  1  0.726755  0.780086  0.541357  1
  Ni  Ni228  1  0.690765  0.071074  0.578545  1
  Ni  Ni229  1  0.303842  0.700895  0.515404  1
  Ni  Ni230  1  0.268082  0.991392  0.552005  1
  Ni  Ni231  1  0.228579  0.282571  0.589293  1
  Ni  Ni232  1  0.864394  0.564327  0.528330  1
  Ni  Ni233  1  0.829736  0.854982  0.566192  1
  Ni  Ni234  1  0.899128  0.273118  0.491185  1
  Ni  Ni235  1  0.091289  0.498072  0.601796  1
  Ni  Ni236  1  0.166467  0.916658  0.527621  1
  Ni  Ni237  1  0.127472  0.207879  0.564301  1
  Ni  Ni238  1  0.588581  0.428838  0.582599  1
  Ni  Ni239  1  0.662030  0.847516  0.509123  1
  Ni  Ni240  1  0.623939  0.138163  0.545911  1
  Ni  Ni241  1  0.368912  0.633555  0.547319  1
  Ni  Ni242  1  0.333346  0.924036  0.583955  1
  Ni  Ni243  1  0.403760  0.342283  0.509803  1
  Ni  Ni244  1  0.259236  0.428726  0.581784  1
  Ni  Ni245  1  0.332367  0.847393  0.507891  1
  Ni  Ni246  1  0.294516  0.138286  0.544792  1
  Ni  Ni247  1  0.330856  0.488210  0.501328  1
  Ni  Ni248  1  0.295931  0.778779  0.538763  1
  Ni  Ni249  1  0.260820  0.069387  0.575271  1
  Ni  Ni250  1  0.734470  0.702098  0.517891  1
  Ni  Ni251  1  0.699534  0.993082  0.554784  1
  Ni  Ni252  1  0.660529  0.282713  0.591877  1
  Ni  Ni253  1  0.569039  0.571572  0.576417  1
  Ni  Ni254  1  0.642351  0.990147  0.502138  1
  Ni  Ni255  1  0.604237  0.280670  0.539270  1
  Ni  Ni256  1  0.387278  0.490951  0.553528  1
  Ni  Ni257  1  0.352909  0.781475  0.591070  1
  Ni  Ni258  1  0.421518  0.200112  0.516447  1
  Ni  Ni259  1  0.236417  0.567066  0.573568  1
  Ni  Ni260  1  0.309449  0.985073  0.499022  1
  Ni  Ni261  1  0.271703  0.276104  0.536307  1
  Ni  Ni262  1  0.719244  0.495639  0.556178  1
  Ni  Ni263  1  0.684941  0.786682  0.594463  1
  Ni  Ni264  1  0.754801  0.204808  0.519467  1
  Ni  Ni265  1  0.204924  0.565370  0.524483  1
  Ni  Ni266  1  0.169912  0.855933  0.561747  1
  Ni  Ni267  1  0.140484  0.146740  0.597634  1
  Ni  Ni268  1  0.860918  0.625255  0.494653  1
  Ni  Ni269  1  0.826136  0.915667  0.531921  1
  Ni  Ni270  1  0.787030  0.205549  0.568755  1
  Ni  Ni271  1  0.068111  0.648491  0.598286  1
  Ni  Ni272  1  0.140621  0.066299  0.522989  1
  Ni  Ni273  1  0.103822  0.356788  0.560860  1
  Ni  Ni274  1  0.889180  0.414410  0.532700  1
  Ni  Ni275  1  0.854234  0.705406  0.570513  1
  Ni  Ni276  1  0.924242  0.123683  0.495370  1
  Ni  Ni277  1  0.724331  0.644882  0.599524  1
  Ni  Ni278  1  0.796421  0.063100  0.524985  1
  Ni  Ni279  1  0.759316  0.353539  0.561963  1
  Ni  Ni280  1  0.232771  0.417640  0.530922  1
  Ni  Ni281  1  0.198099  0.708598  0.568647  1
  Ni  Ni282  1  0.268267  0.127035  0.493486  1
  Ni  Ni283  1  0.697944  0.633528  0.548485  1
  Ni  Ni284  1  0.662918  0.924656  0.584927  1
  Ni  Ni285  1  0.732705  0.342333  0.511002  1
  Ni  Ni286  1  0.942728  0.321146  0.602226  1
  Ni  Ni287  1  0.906854  0.613342  0.639891  1
  Ni  Ni288  1  0.877426  0.903919  0.678091  1
  Ni  Ni289  1  0.653675  0.361440  0.614870  1
  Ni  Ni290  1  0.612301  0.651559  0.652663  1
  Ni  Ni291  1  0.582941  0.941256  0.686142  1
  Ni  Ni292  1  0.190875  0.573313  0.626661  1
  Ni  Ni293  1  0.151874  0.864619  0.662807  1
  Ni  Ni294  1  0.114104  0.152721  0.697327  1
  Ni  Ni295  1  0.756728  0.436239  0.639488  1
  Ni  Ni296  1  0.723522  0.725545  0.678461  1
  Ni  Ni297  1  0.796515  0.145477  0.604219  1
  Ni  Ni298  1  0.993790  0.371360  0.707618  1
  Ni  Ni299  1  0.058290  0.787696  0.641666  1
  Ni  Ni300  1  0.995338  0.081559  0.672115  1
  Ni  Ni301  1  0.460729  0.300551  0.692435  1
  Ni  Ni302  1  0.554571  0.719741  0.621041  1
  Ni  Ni303  1  0.511441  0.011092  0.656421  1
  Ni  Ni304  1  0.256788  0.505843  0.659482  1
  Ni  Ni305  1  0.222104  0.796113  0.692692  1
  Ni  Ni306  1  0.296212  0.215471  0.620998  1
  Ni  Ni307  1  0.135849  0.298844  0.692024  1
  Ni  Ni308  1  0.225684  0.719535  0.620142  1
  Ni  Ni309  1  0.185758  0.011663  0.656035  1
  Ni  Ni310  1  0.223655  0.361091  0.613918  1
  Ni  Ni311  1  0.192032  0.651326  0.651771  1
  Ni  Ni312  1  0.162830  0.944705  0.686776  1
  Ni  Ni313  1  0.624573  0.573898  0.628881  1
  Ni  Ni314  1  0.595803  0.863647  0.665220  1
  Ni  Ni315  1  0.515518  0.155023  0.701351  1
  Ni  Ni316  1  0.430476  0.446630  0.689685  1
  Ni  Ni317  1  0.533980  0.863301  0.612983  1
  Ni  Ni318  1  0.475246  0.152991  0.651045  1
  Ni  Ni319  1  0.268253  0.367049  0.670216  1
  Ni  Ni320  1  0.237681  0.649221  0.703895  1
  Ni  Ni321  1  0.313544  0.074529  0.627806  1
  Ni  Ni322  1  0.107872  0.442986  0.685946  1
  Ni  Ni323  1  0.200340  0.856940  0.610613  1
  Ni  Ni324  1  0.146777  0.149566  0.646786  1
  Ni  Ni325  1  0.611064  0.367568  0.669866  1
  Ni  Ni326  1  0.571779  0.651755  0.704307  1
  Ni  Ni327  1  0.649188  0.078023  0.633954  1
  Ni  Ni328  1  0.100301  0.438282  0.636713  1
  Ni  Ni329  1  0.064515  0.726414  0.676274  1
  Ni  Ni330  1  0.076778  0.025729  0.706776  1
  Ni  Ni331  1  0.749132  0.497069  0.605146  1
  Ni  Ni332  1  0.718008  0.786626  0.644631  1
  Ni  Ni333  1  0.668140  0.074800  0.685766  1
  Ni  Ni334  1  0.940748  0.521280  0.705865  1
  Ni  Ni335  1  0.031119  0.940242  0.635700  1
  Ni  Ni336  1  0.976189  0.228841  0.671752  1
  Ni  Ni337  1  0.777153  0.287092  0.644341  1
  Ni  Ni338  1  0.740464  0.578403  0.680672  1
  Ni  Ni339  1  0.818861  0.996485  0.608224  1
  Ni  Ni340  1  0.601721  0.516895  0.707784  1
  Ni  Ni341  1  0.692520  0.935526  0.636296  1
  Ni  Ni342  1  0.634976  0.226208  0.673497  1
  Ni  Ni343  1  0.123230  0.289656  0.642849  1
  Ni  Ni344  1  0.086723  0.580804  0.678854  1
  Ni  Ni345  1  0.163931  0.999491  0.605217  1
  Ni  Ni346  1  0.589385  0.503991  0.658416  1
  Ni  Ni347  1  0.552701  0.794925  0.695461  1
  Ni  Ni348  1  0.623325  0.213776  0.623141  1
