# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.69008859
_cell_length_b   21.78028555
_cell_length_c   56.36177843
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.26623702
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   10622.711971
_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  0.959428  0.005110  0.356643  1
  Zr  Zr2  1  0.274640  0.278029  0.318890  1
  Zr  Zr3  1  0.598590  0.541945  0.283980  1
  Zr  Zr4  1  0.253908  0.822527  0.370989  1
  Zr  Zr5  1  0.581829  0.090302  0.333376  1
  Zr  Zr6  1  0.886643  0.361308  0.297034  1
  Zr  Zr7  1  0.629532  0.911706  0.297606  1
  Zr  Zr8  1  0.975883  0.377194  0.372562  1
  Zr  Zr9  1  0.299198  0.644393  0.335301  1
  Zr  Zr10  1  0.556551  0.719916  0.318611  1
  Zr  Zr11  1  0.903812  0.987677  0.280394  1
  Zr  Zr12  1  0.230930  0.451076  0.355462  1
  Zr  Zr13  1  0.985598  0.747731  0.308924  1
  Zr  Zr14  1  0.308243  0.016684  0.274649  1
  Zr  Zr15  1  0.658780  0.484164  0.347264  1
  Zr  Zr16  1  0.204217  0.883785  0.305798  1
  Zr  Zr17  1  0.550679  0.344645  0.380821  1
  Zr  Zr18  1  0.878631  0.613621  0.343059  1
  Zr  Zr19  1  0.766651  0.867118  0.361275  1
  Zr  Zr20  1  0.093129  0.134741  0.324158  1
  Zr  Zr21  1  0.420207  0.402926  0.287090  1
  Zr  Zr22  1  0.449666  0.960023  0.366296  1
  Zr  Zr23  1  0.763563  0.230900  0.328845  1
  Zr  Zr24  1  0.105273  0.493983  0.291026  1
  Zr  Zr25  1  0.985326  0.198385  0.468460  1
  Zr  Zr26  1  0.308964  0.467684  0.431471  1
  Zr  Zr27  1  0.634986  0.735981  0.393862  1
  Zr  Zr28  1  0.281362  0.016483  0.483436  1
  Zr  Zr29  1  0.606054  0.284975  0.445846  1
  Zr  Zr30  1  0.929644  0.554265  0.408927  1
  Zr  Zr31  1  0.656313  0.108211  0.409839  1
  Zr  Zr32  1  0.007227  0.570758  0.485243  1
  Zr  Zr33  1  0.331606  0.839415  0.447549  1
  Zr  Zr34  1  0.584112  0.913512  0.429590  1
  Zr  Zr35  1  0.908350  0.182081  0.391876  1
  Zr  Zr36  1  0.258662  0.645091  0.467219  1
  Zr  Zr37  1  0.014022  0.945657  0.421367  1
  Zr  Zr38  1  0.337637  0.214687  0.383612  1
  Zr  Zr39  1  0.689048  0.677371  0.458979  1
  Zr  Zr40  1  0.227411  0.075654  0.418273  1
  Zr  Zr41  1  0.577631  0.538484  0.493377  1
  Zr  Zr42  1  0.902624  0.807130  0.455819  1
  Zr  Zr43  1  0.792089  0.060389  0.473467  1
  Zr  Zr44  1  0.117144  0.328746  0.436026  1
  Zr  Zr45  1  0.440222  0.598093  0.399055  1
  Zr  Zr46  1  0.474641  0.154518  0.478447  1
  Zr  Zr47  1  0.797434  0.423783  0.441277  1
  Zr  Zr48  1  0.122964  0.692239  0.403761  1
  Zr  Zr49  1  0.012533  0.392034  0.580626  1
  Zr  Zr50  1  0.336179  0.661343  0.543686  1
  Zr  Zr51  1  0.660800  0.929836  0.506083  1
  Zr  Zr52  1  0.306930  0.210417  0.595662  1
  Zr  Zr53  1  0.633256  0.478663  0.558081  1
  Zr  Zr54  1  0.956906  0.747923  0.521079  1
  Zr  Zr55  1  0.683458  0.301260  0.522315  1
  Zr  Zr56  1  0.033993  0.764253  0.597647  1
  Zr  Zr57  1  0.358022  0.032822  0.559927  1
  Zr  Zr58  1  0.610551  0.106902  0.541971  1
  Zr  Zr59  1  0.935063  0.375557  0.504305  1
  Zr  Zr60  1  0.285936  0.838126  0.579686  1
  Zr  Zr61  1  0.039515  0.139199  0.533706  1
  Zr  Zr62  1  0.364512  0.407824  0.496184  1
  Zr  Zr63  1  0.714798  0.870660  0.571254  1
  Zr  Zr64  1  0.253136  0.268986  0.530556  1
  Zr  Zr65  1  0.604670  0.731678  0.605911  1
  Zr  Zr66  1  0.928097  1.000654  0.568152  1
  Zr  Zr67  1  0.819055  0.254084  0.585758  1
  Zr  Zr68  1  0.144828  0.522519  0.548274  1
  Zr  Zr69  1  0.467573  0.791813  0.511083  1
  Zr  Zr70  1  0.502026  0.348203  0.590504  1
  Zr  Zr71  1  0.825097  0.617562  0.553523  1
  Zr  Zr72  1  0.150058  0.885927  0.516055  1
  Zr  Zr73  1  0.056229  0.584896  0.692503  1
  Zr  Zr74  1  0.360290  0.856045  0.656153  1
  Zr  Zr75  1  0.688099  0.123756  0.618510  1
  Zr  Zr76  1  0.345805  0.404697  0.705502  1
  Zr  Zr77  1  0.667563  0.668447  0.670629  1
  Zr  Zr78  1  0.982718  0.941247  0.632880  1
  Zr  Zr79  1  0.712917  0.494735  0.634220  1
  Zr  Zr80  1  0.038229  0.958755  0.709122  1
  Zr  Zr81  1  0.385142  0.226132  0.670830  1
  Zr  Zr82  1  0.643867  0.301849  0.654361  1
  Zr  Zr83  1  0.966312  0.569244  0.616948  1
  Zr  Zr84  1  0.312738  0.034705  0.691927  1
  Zr  Zr85  1  0.062871  0.332754  0.646590  1
  Zr  Zr86  1  0.391864  0.601699  0.608689  1
  Zr  Zr87  1  0.737715  0.062437  0.683745  1
  Zr  Zr88  1  0.282387  0.461594  0.642409  1
  Zr  Zr89  1  0.633915  0.929529  0.714883  1
  Zr  Zr90  1  0.956573  0.198674  0.680510  1
  Zr  Zr91  1  0.833479  0.454826  0.697970  1
  Zr  Zr92  1  0.178697  0.715384  0.660693  1
  Zr  Zr93  1  0.492446  0.986340  0.623235  1
  Zr  Zr94  1  0.520983  0.543131  0.702483  1
  Zr  Zr95  1  0.849110  0.811646  0.665369  1
  Zr  Zr96  1  0.175371  0.079207  0.628236  1
  Ni  Ni97  1  0.896418  0.578015  0.270217  1
  Ni  Ni98  1  0.273114  0.048527  0.344855  1
  Ni  Ni99  1  0.585695  0.317500  0.306728  1
  Ni  Ni100  1  0.780795  0.650715  0.298740  1
  Ni  Ni101  1  0.135478  0.116899  0.373345  1
  Ni  Ni102  1  0.454575  0.385168  0.335687  1
  Ni  Ni103  1  0.408312  0.980259  0.317416  1
  Ni  Ni104  1  0.723093  0.246172  0.280749  1
  Ni  Ni105  1  0.080055  0.712156  0.354153  1
  Ni  Ni106  1  0.522934  0.661962  0.280858  1
  Ni  Ni107  1  0.857998  0.124876  0.353147  1
  Ni  Ni108  1  0.179740  0.396231  0.316787  1
  Ni  Ni109  1  0.680132  0.971876  0.335702  1
  Ni  Ni110  1  0.999582  0.239823  0.299168  1
  Ni  Ni111  1  0.354991  0.703117  0.374088  1
  Ni  Ni112  1  0.918326  0.855094  0.286748  1
  Ni  Ni113  1  0.257816  0.322641  0.361150  1
  Ni  Ni114  1  0.581603  0.590867  0.323524  1
  Ni  Ni115  1  0.274661  0.775622  0.328497  1
  Ni  Ni116  1  0.613606  0.037002  0.292329  1
  Ni  Ni117  1  0.950246  0.507002  0.367171  1
  Ni  Ni118  1  0.920030  0.922041  0.322043  1
  Ni  Ni119  1  0.238237  0.188902  0.285884  1
  Ni  Ni120  1  0.595590  0.651110  0.360158  1
  Ni  Ni121  1  0.799671  0.736284  0.347322  1
  Ni  Ni122  1  0.129150  0.005972  0.311382  1
  Ni  Ni123  1  0.423057  0.278071  0.273615  1
  Ni  Ni124  1  0.415142  0.091858  0.379389  1
  Ni  Ni125  1  0.732011  0.359506  0.341231  1
  Ni  Ni126  1  0.056879  0.623176  0.303278  1
  Ni  Ni127  1  0.447822  0.807119  0.294433  1
  Ni  Ni128  1  0.802713  0.275243  0.370668  1
  Ni  Ni129  1  0.126421  0.541196  0.332312  1
  Ni  Ni130  1  0.735045  0.823064  0.320205  1
  Ni  Ni131  1  0.068667  0.091482  0.282641  1
  Ni  Ni132  1  0.405542  0.553168  0.357381  1
  Ni  Ni133  1  0.470306  0.871521  0.333692  1
  Ni  Ni134  1  0.810047  0.139533  0.296278  1
  Ni  Ni135  1  0.142033  0.603120  0.371605  1
  Ni  Ni136  1  0.716884  0.764186  0.283270  1
  Ni  Ni137  1  0.068247  0.225851  0.355326  1
  Ni  Ni138  1  0.391593  0.494341  0.318594  1
  Ni  Ni139  1  0.525961  0.781767  0.354550  1
  Ni  Ni140  1  0.857826  0.046521  0.316668  1
  Ni  Ni141  1  0.158557  0.329089  0.279743  1
  Ni  Ni142  1  0.686593  0.047129  0.373315  1
  Ni  Ni143  1  1.003574  0.317986  0.335334  1
  Ni  Ni144  1  0.328326  0.587329  0.297818  1
  Ni  Ni145  1  0.180628  0.931340  0.346300  1
  Ni  Ni146  1  0.495059  0.200680  0.306340  1
  Ni  Ni147  1  0.812382  0.465050  0.272805  1
  Ni  Ni148  1  0.034510  0.895787  0.380920  1
  Ni  Ni149  1  0.359860  0.165322  0.342806  1
  Ni  Ni150  1  0.669674  0.435654  0.307824  1
  Ni  Ni151  1  0.172110  0.796786  0.274749  1
  Ni  Ni152  1  0.516140  0.268787  0.346289  1
  Ni  Ni153  1  0.850108  0.533301  0.309560  1
  Ni  Ni154  1  0.015935  0.828881  0.341446  1
  Ni  Ni155  1  0.345762  0.096046  0.304896  1
  Ni  Ni156  1  0.690322  0.560699  0.380519  1
  Ni  Ni157  1  0.273653  0.706283  0.293033  1
  Ni  Ni158  1  0.617011  0.176733  0.367318  1
  Ni  Ni159  1  0.938761  0.444826  0.330245  1
  Ni  Ni160  1  0.944049  0.779887  0.381972  1
  Ni  Ni161  1  0.295708  0.241684  0.457144  1
  Ni  Ni162  1  0.619257  0.511292  0.420199  1
  Ni  Ni163  1  0.811417  0.847764  0.410644  1
  Ni  Ni164  1  0.161804  0.309798  0.485452  1
  Ni  Ni165  1  0.485982  0.579508  0.448387  1
  Ni  Ni166  1  0.429505  0.173716  0.428894  1
  Ni  Ni167  1  0.752909  0.443046  0.392017  1
  Ni  Ni168  1  0.105093  0.905072  0.466557  1
  Ni  Ni169  1  0.534485  0.855065  0.391412  1
  Ni  Ni170  1  0.885176  0.317416  0.465875  1
  Ni  Ni171  1  0.208807  0.586737  0.428995  1
  Ni  Ni172  1  0.705905  0.166081  0.448358  1
  Ni  Ni173  1  0.029119  0.434870  0.411384  1
  Ni  Ni174  1  0.381680  0.897603  0.485957  1
  Ni  Ni175  1  0.938542  0.052759  0.398018  1
  Ni  Ni176  1  0.288778  0.515365  0.472984  1
  Ni  Ni177  1  0.613774  0.784035  0.435385  1
  Ni  Ni178  1  0.302413  0.968927  0.441776  1
  Ni  Ni179  1  0.626638  0.237531  0.404263  1
  Ni  Ni180  1  0.977452  0.700508  0.479462  1
  Ni  Ni181  1  0.946381  0.114219  0.434662  1
  Ni  Ni182  1  0.269262  0.383134  0.397698  1
  Ni  Ni183  1  0.621978  0.845403  0.472243  1
  Ni  Ni184  1  0.825997  0.929894  0.459953  1
  Ni  Ni185  1  0.150619  0.198237  0.422291  1
  Ni  Ni186  1  0.473427  0.468010  0.385720  1
  Ni  Ni187  1  0.441004  0.284984  0.491977  1
  Ni  Ni188  1  0.765054  0.554545  0.454871  1
  Ni  Ni189  1  0.089650  0.822725  0.416959  1
  Ni  Ni190  1  0.479267  0.006033  0.407924  1
  Ni  Ni191  1  0.829644  0.468543  0.483069  1
  Ni  Ni192  1  0.154079  0.737436  0.445534  1
  Ni  Ni193  1  0.761156  0.015750  0.431673  1
  Ni  Ni194  1  0.083581  0.284392  0.394291  1
  Ni  Ni195  1  0.436840  0.747066  0.469254  1
  Ni  Ni196  1  0.495524  0.065818  0.446372  1
  Ni  Ni197  1  0.818769  0.334648  0.409301  1
  Ni  Ni198  1  0.170838  0.797204  0.484011  1
  Ni  Ni199  1  0.745546  0.955818  0.393340  1
  Ni  Ni200  1  0.096265  0.417923  0.468057  1
  Ni  Ni201  1  0.420331  0.687203  0.430876  1
  Ni  Ni202  1  0.554849  0.974346  0.466197  1
  Ni  Ni203  1  0.879403  0.242565  0.428600  1
  Ni  Ni204  1  0.201660  0.512367  0.391834  1
  Ni  Ni205  1  0.712119  0.240561  0.485664  1
  Ni  Ni206  1  0.035643  0.509799  0.448665  1
  Ni  Ni207  1  0.360905  0.778436  0.410970  1
  Ni  Ni208  1  0.206745  0.125337  0.458526  1
  Ni  Ni209  1  0.530276  0.394472  0.421328  1
  Ni  Ni210  1  0.857141  0.663272  0.383586  1
  Ni  Ni211  1  0.059970  0.089569  0.493414  1
  Ni  Ni212  1  0.384784  0.358113  0.455918  1
  Ni  Ni213  1  0.709305  0.627770  0.418668  1
  Ni  Ni214  1  0.201272  0.999222  0.384712  1
  Ni  Ni215  1  0.549483  0.461995  0.459823  1
  Ni  Ni216  1  0.875112  0.730892  0.422092  1
  Ni  Ni217  1  0.040912  0.022272  0.455003  1
  Ni  Ni218  1  0.365863  0.290750  0.417416  1
  Ni  Ni219  1  0.716422  0.753712  0.492652  1
  Ni  Ni220  1  0.294008  0.907149  0.404930  1
  Ni  Ni221  1  0.644816  0.369463  0.479770  1
  Ni  Ni222  1  0.968764  0.639094  0.442632  1
  Ni  Ni223  1  0.971085  0.973157  0.494760  1
  Ni  Ni224  1  0.323267  0.435052  0.569424  1
  Ni  Ni225  1  0.646530  0.704635  0.532383  1
  Ni  Ni226  1  0.837062  0.041238  0.522963  1
  Ni  Ni227  1  0.189499  0.503273  0.597575  1
  Ni  Ni228  1  0.512767  0.772607  0.560626  1
  Ni  Ni229  1  0.456168  0.366843  0.541187  1
  Ni  Ni230  1  0.780412  0.636506  0.504079  1
  Ni  Ni231  1  0.130665  0.098545  0.578867  1
  Ni  Ni232  1  0.560473  0.048713  0.503565  1
  Ni  Ni233  1  0.913176  0.511429  0.578170  1
  Ni  Ni234  1  0.236305  0.780241  0.541175  1
  Ni  Ni235  1  0.733328  0.359591  0.560546  1
  Ni  Ni236  1  0.057049  0.628899  0.523665  1
  Ni  Ni237  1  0.407538  0.091257  0.598086  1
  Ni  Ni238  1  0.964717  0.245820  0.510075  1
  Ni  Ni239  1  0.315798  0.708801  0.585266  1
  Ni  Ni240  1  0.639723  0.977387  0.547744  1
  Ni  Ni241  1  0.328340  0.162295  0.554142  1
  Ni  Ni242  1  0.653397  0.430949  0.516571  1
  Ni  Ni243  1  1.003679  0.893569  0.591507  1
  Ni  Ni244  1  0.973379  0.307252  0.546906  1
  Ni  Ni245  1  0.297395  0.576852  0.509770  1
  Ni  Ni246  1  0.648075  0.039165  0.584583  1
  Ni  Ni247  1  0.852426  0.123594  0.572555  1
  Ni  Ni248  1  0.177207  0.391834  0.534723  1
  Ni  Ni249  1  0.501177  0.661332  0.497552  1
  Ni  Ni250  1  0.469006  0.478357  0.604015  1
  Ni  Ni251  1  0.791673  0.748048  0.567248  1
  Ni  Ni252  1  0.116151  0.016430  0.529569  1
  Ni  Ni253  1  0.505332  0.199264  0.520282  1
  Ni  Ni254  1  0.858652  0.661903  0.595261  1
  Ni  Ni255  1  0.181019  0.930573  0.557846  1
  Ni  Ni256  1  0.788012  0.208905  0.543992  1
  Ni  Ni257  1  0.112544  0.477771  0.506485  1
  Ni  Ni258  1  0.462900  0.940302  0.581602  1
  Ni  Ni259  1  0.521769  0.259145  0.558662  1
  Ni  Ni260  1  0.845958  0.528397  0.521489  1
  Ni  Ni261  1  0.196590  0.990501  0.596175  1
  Ni  Ni262  1  0.771329  0.149117  0.505515  1
  Ni  Ni263  1  0.123763  0.611645  0.580244  1
  Ni  Ni264  1  0.446662  0.880507  0.543153  1
  Ni  Ni265  1  0.581133  0.167917  0.578554  1
  Ni  Ni266  1  0.906528  0.436527  0.540887  1
  Ni  Ni267  1  0.230074  0.705769  0.503875  1
  Ni  Ni268  1  0.740349  0.433965  0.597681  1
  Ni  Ni269  1  0.062893  0.703712  0.560943  1
  Ni  Ni270  1  0.387294  0.971971  0.523323  1
  Ni  Ni271  1  0.232808  0.318573  0.570899  1
  Ni  Ni272  1  0.557392  0.588214  0.533628  1
  Ni  Ni273  1  0.882195  0.856747  0.496110  1
  Ni  Ni274  1  0.084708  0.283161  0.605992  1
  Ni  Ni275  1  0.412019  0.551795  0.568253  1
  Ni  Ni276  1  0.735499  0.820975  0.531005  1
  Ni  Ni277  1  0.225789  0.192617  0.496882  1
  Ni  Ni278  1  0.576453  0.655546  0.572116  1
  Ni  Ni279  1  0.901244  0.924043  0.534518  1
  Ni  Ni280  1  0.066911  0.215477  0.567427  1
  Ni  Ni281  1  0.392752  0.484319  0.529757  1
  Ni  Ni282  1  0.740832  0.947122  0.604811  1
  Ni  Ni283  1  0.320176  0.100918  0.517279  1
  Ni  Ni284  1  0.672997  0.563084  0.591874  1
  Ni  Ni285  1  0.995830  0.832109  0.554866  1
  Ni  Ni286  1  0.998133  0.166396  0.607520  1
  Ni  Ni287  1  0.357019  0.628633  0.682735  1
  Ni  Ni288  1  0.669012  0.897824  0.644668  1
  Ni  Ni289  1  0.862034  0.234012  0.635273  1
  Ni  Ni290  1  0.219095  0.699858  0.708744  1
  Ni  Ni291  1  0.533773  0.966066  0.672113  1
  Ni  Ni292  1  0.487660  0.560990  0.653676  1
  Ni  Ni293  1  0.806754  0.829506  0.616176  1
  Ni  Ni294  1  0.162344  0.295008  0.690672  1
  Ni  Ni295  1  0.587057  0.243262  0.615474  1
  Ni  Ni296  1  0.942481  0.706512  0.690388  1
  Ni  Ni297  1  0.261973  0.974462  0.653834  1
  Ni  Ni298  1  0.761983  0.550934  0.672521  1
  Ni  Ni299  1  0.084212  0.821491  0.636377  1
  Ni  Ni300  1  0.420202  0.284156  0.708529  1
  Ni  Ni301  1  0.991789  0.439228  0.622329  1
  Ni  Ni302  1  0.328463  0.909402  0.697201  1
  Ni  Ni303  1  0.667475  0.170726  0.661013  1
  Ni  Ni304  1  0.360469  0.355212  0.666057  1
  Ni  Ni305  1  0.684654  0.623639  0.628389  1
  Ni  Ni306  1  0.023771  0.091272  0.702754  1
  Ni  Ni307  1  1.004341  0.501003  0.659412  1
  Ni  Ni308  1  0.325223  0.769612  0.622219  1
  Ni  Ni309  1  0.669192  0.240274  0.696483  1
  Ni  Ni310  1  0.886596  0.324045  0.687194  1
  Ni  Ni311  1  0.210245  0.586645  0.648246  1
  Ni  Ni312  1  0.527038  0.854485  0.610138  1
  Ni  Ni313  1  0.518886  0.668269  0.715890  1
  Ni  Ni314  1  0.812942  0.940349  0.678141  1
  Ni  Ni315  1  0.142296  0.210054  0.642163  1
  Ni  Ni316  1  0.536649  0.392932  0.632180  1
  Ni  Ni317  1  0.873675  0.854892  0.706882  1
  Ni  Ni318  1  0.206766  0.123218  0.669301  1
  Ni  Ni319  1  0.816850  0.404573  0.657373  1
  Ni  Ni320  1  0.140034  0.671088  0.618844  1
  Ni  Ni321  1  0.494995  0.139322  0.695144  1
  Ni  Ni322  1  0.549723  0.452043  0.670825  1
  Ni  Ni323  1  0.874074  0.720617  0.634172  1
  Ni  Ni324  1  0.225552  0.181949  0.706264  1
  Ni  Ni325  1  0.799996  0.343161  0.617910  1
  Ni  Ni326  1  0.132298  0.806758  0.693253  1
  Ni  Ni327  1  0.471831  0.074833  0.655851  1
  Ni  Ni328  1  0.614090  0.359299  0.691718  1
  Ni  Ni329  1  0.939220  0.628563  0.654169  1
  Ni  Ni330  1  0.255605  0.899214  0.616210  1
  Ni  Ni331  1  0.783406  0.617044  0.709759  1
  Ni  Ni332  1  0.084318  0.899818  0.672871  1
  Ni  Ni333  1  0.416161  0.164460  0.634920  1
  Ni  Ni334  1  0.273538  0.510439  0.681540  1
  Ni  Ni335  1  0.582376  0.781023  0.646713  1
  Ni  Ni336  1  0.907519  0.050526  0.608594  1
  Ni  Ni337  1  0.128576  0.481322  0.715889  1
  Ni  Ni338  1  0.447080  0.745563  0.683155  1
  Ni  Ni339  1  0.761443  0.014994  0.643226  1
  Ni  Ni340  1  0.251919  0.385542  0.609066  1
  Ni  Ni341  1  0.596297  0.850280  0.684612  1
  Ni  Ni342  1  0.926010  0.117411  0.648064  1
  Ni  Ni343  1  0.091021  0.412195  0.680684  1
  Ni  Ni344  1  0.426082  0.677458  0.643215  1
  Ni  Ni345  1  0.771823  0.150250  0.714700  1
  Ni  Ni346  1  0.346272  0.295212  0.629405  1
  Ni  Ni347  1  0.703659  0.757636  0.703644  1
  Ni  Ni348  1  0.022015  0.024293  0.667476  1
