# generated using pymatgen
data_Zr8Ni21
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.44945014
_cell_length_b   17.54092490
_cell_length_c   47.80289505
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   77.40387003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr8Ni21
_chemical_formula_sum   'Zr96 Ni252'
_cell_volume   11006.0264146
_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  0.871378  0.947622  0.405891  1
  Zr  Zr2  1  0.871378  0.447622  0.405891  1
  Zr  Zr3  1  0.248360  0.022220  0.334739  1
  Zr  Zr4  1  0.248360  0.522220  0.334739  1
  Zr  Zr5  1  0.287314  0.780566  0.318515  1
  Zr  Zr6  1  0.287314  0.280566  0.318515  1
  Zr  Zr7  1  0.912690  0.709312  0.389374  1
  Zr  Zr8  1  0.912690  0.209312  0.389374  1
  Zr  Zr9  1  0.865892  0.867601  0.320545  1
  Zr  Zr10  1  0.865892  0.367601  0.320545  1
  Zr  Zr11  1  0.499980  0.791921  0.390698  1
  Zr  Zr12  1  0.499980  0.291921  0.390698  1
  Zr  Zr13  1  0.282870  0.868059  0.404916  1
  Zr  Zr14  1  0.282870  0.368059  0.404916  1
  Zr  Zr15  1  0.644920  0.941808  0.332878  1
  Zr  Zr16  1  0.644920  0.441808  0.332878  1
  Zr  Zr17  1  0.847051  0.156813  0.301798  1
  Zr  Zr18  1  0.847051  0.656813  0.301798  1
  Zr  Zr19  1  0.471440  0.088459  0.371293  1
  Zr  Zr20  1  0.471440  0.588459  0.371293  1
  Zr  Zr21  1  0.313174  0.571232  0.423590  1
  Zr  Zr22  1  0.313174  0.071232  0.423590  1
  Zr  Zr23  1  0.687843  0.642764  0.351947  1
  Zr  Zr24  1  0.687843  0.142764  0.351947  1
  Zr  Zr25  1  0.032398  0.970218  0.353867  1
  Zr  Zr26  1  0.032398  0.470218  0.353867  1
  Zr  Zr27  1  0.652100  0.901652  0.423787  1
  Zr  Zr28  1  0.652100  0.401652  0.423787  1
  Zr  Zr29  1  0.132591  0.759492  0.372279  1
  Zr  Zr30  1  0.132591  0.259492  0.372279  1
  Zr  Zr31  1  0.513080  0.832492  0.301790  1
  Zr  Zr32  1  0.513080  0.332492  0.301790  1
  Zr  Zr33  1  0.119654  0.803603  0.548345  1
  Zr  Zr34  1  0.119654  0.303603  0.548345  1
  Zr  Zr35  1  0.496446  0.876220  0.477367  1
  Zr  Zr36  1  0.496446  0.376220  0.477367  1
  Zr  Zr37  1  0.536051  0.638931  0.459948  1
  Zr  Zr38  1  0.536051  0.138931  0.459948  1
  Zr  Zr39  1  0.159580  0.566168  0.531181  1
  Zr  Zr40  1  0.159580  0.066168  0.531181  1
  Zr  Zr41  1  0.123705  0.720295  0.462043  1
  Zr  Zr42  1  0.123705  0.220295  0.462043  1
  Zr  Zr43  1  0.749654  0.647831  0.532951  1
  Zr  Zr44  1  0.749654  0.147831  0.532951  1
  Zr  Zr45  1  0.532086  0.721892  0.546456  1
  Zr  Zr46  1  0.532086  0.221892  0.546456  1
  Zr  Zr47  1  0.906257  0.794430  0.475513  1
  Zr  Zr48  1  0.906257  0.294430  0.475513  1
  Zr  Zr49  1  0.096080  0.016009  0.442727  1
  Zr  Zr50  1  0.096080  0.516009  0.442727  1
  Zr  Zr51  1  0.719347  0.943457  0.513846  1
  Zr  Zr52  1  0.719347  0.443457  0.513846  1
  Zr  Zr53  1  0.560023  0.426286  0.565810  1
  Zr  Zr54  1  0.560023  0.926286  0.565810  1
  Zr  Zr55  1  0.936508  0.498952  0.494604  1
  Zr  Zr56  1  0.936508  0.998952  0.494604  1
  Zr  Zr57  1  0.276831  0.828587  0.495311  1
  Zr  Zr58  1  0.276831  0.328587  0.495311  1
  Zr  Zr59  1  0.899640  0.757551  0.566413  1
  Zr  Zr60  1  0.899640  0.257551  0.566413  1
  Zr  Zr61  1  0.379270  0.613702  0.513166  1
  Zr  Zr62  1  0.379270  0.113702  0.513166  1
  Zr  Zr63  1  0.756235  0.684724  0.442054  1
  Zr  Zr64  1  0.756235  0.184724  0.442054  1
  Zr  Zr65  1  0.368924  0.661555  0.689512  1
  Zr  Zr66  1  0.368924  0.161555  0.689512  1
  Zr  Zr67  1  0.743577  0.732334  0.619155  1
  Zr  Zr68  1  0.743577  0.232334  0.619155  1
  Zr  Zr69  1  0.784470  0.494596  0.602533  1
  Zr  Zr70  1  0.784470  0.994596  0.602533  1
  Zr  Zr71  1  0.408416  0.420438  0.673640  1
  Zr  Zr72  1  0.408416  0.920438  0.673640  1
  Zr  Zr73  1  0.371926  0.574151  0.603976  1
  Zr  Zr74  1  0.371926  0.074151  0.603976  1
  Zr  Zr75  1  0.010053  0.499718  0.675619  1
  Zr  Zr76  1  0.010053  0.999718  0.675619  1
  Zr  Zr77  1  0.787212  0.573690  0.687947  1
  Zr  Zr78  1  0.787212  0.073690  0.687947  1
  Zr  Zr79  1  0.155047  0.651642  0.618190  1
  Zr  Zr80  1  0.155047  0.151642  0.618190  1
  Zr  Zr81  1  0.342904  0.871216  0.584700  1
  Zr  Zr82  1  0.342904  0.371216  0.584700  1
  Zr  Zr83  1  0.969447  0.798729  0.656503  1
  Zr  Zr84  1  0.969447  0.298729  0.656503  1
  Zr  Zr85  1  0.809986  0.283843  0.706771  1
  Zr  Zr86  1  0.809986  0.783843  0.706771  1
  Zr  Zr87  1  0.184151  0.352741  0.637165  1
  Zr  Zr88  1  0.184151  0.852741  0.637165  1
  Zr  Zr89  1  0.522502  0.683568  0.636212  1
  Zr  Zr90  1  0.522502  0.183568  0.636212  1
  Zr  Zr91  1  0.143849  0.606213  0.706370  1
  Zr  Zr92  1  0.143849  0.106213  0.706370  1
  Zr  Zr93  1  0.625251  0.470567  0.654540  1
  Zr  Zr94  1  0.625251  0.970567  0.654540  1
  Zr  Zr95  1  0.004175  0.540513  0.584803  1
  Zr  Zr96  1  0.004175  0.040513  0.584803  1
  Ni  Ni97  1  0.079996  0.116257  0.361406  1
  Ni  Ni98  1  0.079996  0.616257  0.361406  1
  Ni  Ni99  1  0.449866  0.198925  0.289235  1
  Ni  Ni100  1  0.449866  0.698925  0.289235  1
  Ni  Ni101  1  0.178483  0.009824  0.390062  1
  Ni  Ni102  1  0.178483  0.509824  0.390062  1
  Ni  Ni103  1  0.548828  0.086436  0.317728  1
  Ni  Ni104  1  0.548828  0.586436  0.317728  1
  Ni  Ni105  1  0.979485  0.723395  0.332730  1
  Ni  Ni106  1  0.979485  0.223395  0.332730  1
  Ni  Ni107  1  0.606724  0.650488  0.404783  1
  Ni  Ni108  1  0.606724  0.150488  0.404783  1
  Ni  Ni109  1  0.218854  0.887106  0.353725  1
  Ni  Ni110  1  0.218854  0.387106  0.353725  1
  Ni  Ni111  1  0.832300  0.813826  0.425971  1
  Ni  Ni112  1  0.832300  0.313826  0.425971  1
  Ni  Ni113  1  0.947950  0.843786  0.368684  1
  Ni  Ni114  1  0.947950  0.343786  0.368684  1
  Ni  Ni115  1  0.326474  0.912816  0.300582  1
  Ni  Ni116  1  0.326474  0.412816  0.300582  1
  Ni  Ni117  1  0.743065  0.043183  0.308283  1
  Ni  Ni118  1  0.743065  0.543183  0.308283  1
  Ni  Ni119  1  0.365016  0.975800  0.378995  1
  Ni  Ni120  1  0.365016  0.475800  0.378995  1
  Ni  Ni121  1  0.419299  0.682621  0.415893  1
  Ni  Ni122  1  0.419299  0.182621  0.415893  1
  Ni  Ni123  1  0.799145  0.750905  0.345865  1
  Ni  Ni124  1  0.799145  0.250905  0.345865  1
  Ni  Ni125  1  0.825091  0.992560  0.352975  1
  Ni  Ni126  1  0.825091  0.492560  0.352975  1
  Ni  Ni127  1  0.450461  0.921423  0.425008  1
  Ni  Ni128  1  0.450461  0.421423  0.425008  1
  Ni  Ni129  1  0.049869  0.087127  0.311199  1
  Ni  Ni130  1  0.049869  0.587127  0.311199  1
  Ni  Ni131  1  0.669053  0.015165  0.382588  1
  Ni  Ni132  1  0.669053  0.515165  0.382588  1
  Ni  Ni133  1  0.115523  0.643898  0.411863  1
  Ni  Ni134  1  0.115523  0.143898  0.411863  1
  Ni  Ni135  1  0.488080  0.717913  0.338453  1
  Ni  Ni136  1  0.488080  0.217913  0.338453  1
  Ni  Ni137  1  0.239817  0.733314  0.418309  1
  Ni  Ni138  1  0.239817  0.233314  0.418309  1
  Ni  Ni139  1  0.618568  0.803009  0.346898  1
  Ni  Ni140  1  0.618568  0.303009  0.346898  1
  Ni  Ni141  1  0.930556  0.998601  0.307556  1
  Ni  Ni142  1  0.930556  0.498601  0.307556  1
  Ni  Ni143  1  0.544288  0.925944  0.376383  1
  Ni  Ni144  1  0.544288  0.425944  0.376383  1
  Ni  Ni145  1  0.072688  0.830058  0.325093  1
  Ni  Ni146  1  0.072688  0.330058  0.325093  1
  Ni  Ni147  1  0.701865  0.757687  0.394096  1
  Ni  Ni148  1  0.701865  0.257687  0.394096  1
  Ni  Ni149  1  0.080971  0.902624  0.402573  1
  Ni  Ni150  1  0.080971  0.402624  0.402573  1
  Ni  Ni151  1  0.447698  0.981991  0.329869  1
  Ni  Ni152  1  0.447698  0.481991  0.329869  1
  Ni  Ni153  1  0.133922  0.937835  0.305134  1
  Ni  Ni154  1  0.133922  0.437835  0.305134  1
  Ni  Ni155  1  0.754677  0.869545  0.373759  1
  Ni  Ni156  1  0.754677  0.369545  0.373759  1
  Ni  Ni157  1  0.024349  0.790491  0.420030  1
  Ni  Ni158  1  0.024349  0.290491  0.420030  1
  Ni  Ni159  1  0.410231  0.862377  0.347523  1
  Ni  Ni160  1  0.410231  0.362377  0.347523  1
  Ni  Ni161  1  0.169772  0.677185  0.324507  1
  Ni  Ni162  1  0.169772  0.177185  0.324507  1
  Ni  Ni163  1  0.800806  0.598263  0.395046  1
  Ni  Ni164  1  0.800806  0.098263  0.395046  1
  Ni  Ni165  1  0.983710  0.059663  0.399684  1
  Ni  Ni166  1  0.983710  0.559663  0.399684  1
  Ni  Ni167  1  0.357849  0.133925  0.327817  1
  Ni  Ni168  1  0.357849  0.633925  0.327817  1
  Ni  Ni169  1  0.259878  0.625177  0.373680  1
  Ni  Ni170  1  0.259878  0.125177  0.373680  1
  Ni  Ni171  1  0.635214  0.690375  0.302370  1
  Ni  Ni172  1  0.635214  0.190375  0.302370  1
  Ni  Ni173  1  0.903089  0.104536  0.349396  1
  Ni  Ni174  1  0.903089  0.604536  0.349396  1
  Ni  Ni175  1  0.524475  0.035242  0.420941  1
  Ni  Ni176  1  0.524475  0.535242  0.420941  1
  Ni  Ni177  1  0.335107  0.737554  0.369831  1
  Ni  Ni178  1  0.335107  0.237554  0.369831  1
  Ni  Ni179  1  0.717727  0.799443  0.302321  1
  Ni  Ni180  1  0.717727  0.299443  0.302321  1
  Ni  Ni181  1  0.327989  0.971250  0.504302  1
  Ni  Ni182  1  0.327989  0.471250  0.504302  1
  Ni  Ni183  1  0.704261  0.042969  0.433024  1
  Ni  Ni184  1  0.704261  0.542969  0.433024  1
  Ni  Ni185  1  0.426148  0.863821  0.532920  1
  Ni  Ni186  1  0.426148  0.363821  0.532920  1
  Ni  Ni187  1  0.802008  0.936204  0.461655  1
  Ni  Ni188  1  0.802008  0.436204  0.461655  1
  Ni  Ni189  1  0.229859  0.578560  0.475558  1
  Ni  Ni190  1  0.229859  0.078560  0.475558  1
  Ni  Ni191  1  0.853821  0.506172  0.546816  1
  Ni  Ni192  1  0.853821  0.006172  0.546816  1
  Ni  Ni193  1  0.458475  0.741592  0.497075  1
  Ni  Ni194  1  0.458475  0.241592  0.497075  1
  Ni  Ni195  1  0.080773  0.668935  0.568447  1
  Ni  Ni196  1  0.080773  0.168935  0.568447  1
  Ni  Ni197  1  0.197664  0.700684  0.511363  1
  Ni  Ni198  1  0.197664  0.200684  0.511363  1
  Ni  Ni199  1  0.575553  0.773369  0.440107  1
  Ni  Ni200  1  0.575553  0.273369  0.440107  1
  Ni  Ni201  1  0.988849  0.904492  0.450767  1
  Ni  Ni202  1  0.988849  0.404492  0.450767  1
  Ni  Ni203  1  0.612975  0.832116  0.521413  1
  Ni  Ni204  1  0.612975  0.332116  0.521413  1
  Ni  Ni205  1  0.666882  0.537855  0.557713  1
  Ni  Ni206  1  0.666882  0.037855  0.557713  1
  Ni  Ni207  1  0.043073  0.610080  0.487136  1
  Ni  Ni208  1  0.043073  0.110080  0.487136  1
  Ni  Ni209  1  0.073347  0.849293  0.496272  1
  Ni  Ni210  1  0.073347  0.349293  0.496272  1
  Ni  Ni211  1  0.697050  0.777425  0.567099  1
  Ni  Ni212  1  0.697050  0.277425  0.567099  1
  Ni  Ni213  1  0.293685  0.943430  0.454356  1
  Ni  Ni214  1  0.293685  0.443430  0.454356  1
  Ni  Ni215  1  0.916598  0.871378  0.525329  1
  Ni  Ni216  1  0.916598  0.371378  0.525329  1
  Ni  Ni217  1  0.362252  0.499028  0.554252  1
  Ni  Ni218  1  0.362252  0.999028  0.554252  1
  Ni  Ni219  1  0.739239  0.570983  0.483083  1
  Ni  Ni220  1  0.739239  0.070983  0.483083  1
  Ni  Ni221  1  0.486253  0.587934  0.559593  1
  Ni  Ni222  1  0.486253  0.087934  0.559593  1
  Ni  Ni223  1  0.862748  0.660340  0.488807  1
  Ni  Ni224  1  0.862748  0.160340  0.488807  1
  Ni  Ni225  1  0.169468  0.854279  0.449003  1
  Ni  Ni226  1  0.169468  0.354279  0.449003  1
  Ni  Ni227  1  0.793252  0.781972  0.519693  1
  Ni  Ni228  1  0.793252  0.281972  0.519693  1
  Ni  Ni229  1  0.326274  0.685118  0.464630  1
  Ni  Ni230  1  0.326274  0.185118  0.464630  1
  Ni  Ni231  1  0.950419  0.612262  0.535929  1
  Ni  Ni232  1  0.950419  0.112262  0.535929  1
  Ni  Ni233  1  0.329622  0.757208  0.543789  1
  Ni  Ni234  1  0.329622  0.257208  0.543789  1
  Ni  Ni235  1  0.705620  0.829993  0.472622  1
  Ni  Ni236  1  0.705620  0.329993  0.472622  1
  Ni  Ni237  1  0.382656  0.796895  0.446518  1
  Ni  Ni238  1  0.382656  0.296895  0.446518  1
  Ni  Ni239  1  0.003874  0.724657  0.517715  1
  Ni  Ni240  1  0.003874  0.224657  0.517715  1
  Ni  Ni241  1  0.273687  0.645347  0.562038  1
  Ni  Ni242  1  0.273687  0.145347  0.562038  1
  Ni  Ni243  1  0.652138  0.717595  0.490740  1
  Ni  Ni244  1  0.652138  0.217595  0.490740  1
  Ni  Ni245  1  0.425368  0.527080  0.466408  1
  Ni  Ni246  1  0.425368  0.027080  0.466408  1
  Ni  Ni247  1  0.048699  0.454779  0.537534  1
  Ni  Ni248  1  0.048699  0.954779  0.537534  1
  Ni  Ni249  1  0.230456  0.915433  0.542100  1
  Ni  Ni250  1  0.230456  0.415433  0.542100  1
  Ni  Ni251  1  0.607075  0.987785  0.470923  1
  Ni  Ni252  1  0.607075  0.487785  0.470923  1
  Ni  Ni253  1  0.507727  0.479825  0.516530  1
  Ni  Ni254  1  0.507727  0.979825  0.516530  1
  Ni  Ni255  1  0.884112  0.551405  0.445029  1
  Ni  Ni256  1  0.884112  0.051405  0.445029  1
  Ni  Ni257  1  0.148287  0.962504  0.492049  1
  Ni  Ni258  1  0.148287  0.462504  0.492049  1
  Ni  Ni259  1  0.771780  0.890835  0.563351  1
  Ni  Ni260  1  0.771780  0.390835  0.563351  1
  Ni  Ni261  1  0.582486  0.593164  0.512137  1
  Ni  Ni262  1  0.582486  0.093164  0.512137  1
  Ni  Ni263  1  0.959053  0.664595  0.441407  1
  Ni  Ni264  1  0.959053  0.164595  0.441407  1
  Ni  Ni265  1  0.576375  0.825742  0.647091  1
  Ni  Ni266  1  0.576375  0.325742  0.647091  1
  Ni  Ni267  1  0.951460  0.899564  0.575353  1
  Ni  Ni268  1  0.951460  0.399564  0.575353  1
  Ni  Ni269  1  0.676644  0.718289  0.675705  1
  Ni  Ni270  1  0.676644  0.218289  0.675705  1
  Ni  Ni271  1  0.048786  0.792159  0.603370  1
  Ni  Ni272  1  0.048786  0.292159  0.603370  1
  Ni  Ni273  1  0.477742  0.432298  0.618411  1
  Ni  Ni274  1  0.477742  0.932298  0.618411  1
  Ni  Ni275  1  0.107963  0.355464  0.690638  1
  Ni  Ni276  1  0.107963  0.855464  0.690638  1
  Ni  Ni277  1  0.707023  0.598184  0.639658  1
  Ni  Ni278  1  0.707023  0.098184  0.639658  1
  Ni  Ni279  1  0.331807  0.528836  0.707702  1
  Ni  Ni280  1  0.331807  0.028836  0.707702  1
  Ni  Ni281  1  0.439584  0.555289  0.654809  1
  Ni  Ni282  1  0.439584  0.055289  0.654809  1
  Ni  Ni283  1  0.823855  0.628292  0.582470  1
  Ni  Ni284  1  0.823855  0.128292  0.582470  1
  Ni  Ni285  1  0.236475  0.759938  0.592382  1
  Ni  Ni286  1  0.236475  0.259938  0.592382  1
  Ni  Ni287  1  0.857369  0.690374  0.662786  1
  Ni  Ni288  1  0.857369  0.190374  0.662786  1
  Ni  Ni289  1  0.913934  0.397474  0.700269  1
  Ni  Ni290  1  0.913934  0.897474  0.700269  1
  Ni  Ni291  1  0.290788  0.465070  0.629461  1
  Ni  Ni292  1  0.290788  0.965070  0.629461  1
  Ni  Ni293  1  0.320171  0.704587  0.638582  1
  Ni  Ni294  1  0.320171  0.204587  0.638582  1
  Ni  Ni295  1  0.938103  0.640698  0.706218  1
  Ni  Ni296  1  0.938103  0.140698  0.706218  1
  Ni  Ni297  1  0.540624  0.798278  0.596532  1
  Ni  Ni298  1  0.540624  0.298278  0.596532  1
  Ni  Ni299  1  0.170959  0.723233  0.671728  1
  Ni  Ni300  1  0.170959  0.223233  0.671728  1
  Ni  Ni301  1  0.606816  0.354342  0.697322  1
  Ni  Ni302  1  0.606816  0.854342  0.697322  1
  Ni  Ni303  1  0.987226  0.426939  0.625814  1
  Ni  Ni304  1  0.987226  0.926939  0.625814  1
  Ni  Ni305  1  0.726809  0.441730  0.701027  1
  Ni  Ni306  1  0.726809  0.941730  0.701027  1
  Ni  Ni307  1  0.112081  0.516623  0.632428  1
  Ni  Ni308  1  0.112081  0.016623  0.632428  1
  Ni  Ni309  1  0.415824  0.708866  0.590127  1
  Ni  Ni310  1  0.415824  0.208866  0.590127  1
  Ni  Ni311  1  0.038303  0.639448  0.661880  1
  Ni  Ni312  1  0.038303  0.139448  0.661880  1
  Ni  Ni313  1  0.574375  0.539950  0.606080  1
  Ni  Ni314  1  0.574375  0.039950  0.606080  1
  Ni  Ni315  1  0.208599  0.459865  0.678554  1
  Ni  Ni316  1  0.208599  0.959865  0.678554  1
  Ni  Ni317  1  0.582084  0.612502  0.683222  1
  Ni  Ni318  1  0.582084  0.112502  0.683222  1
  Ni  Ni319  1  0.953923  0.684446  0.614467  1
  Ni  Ni320  1  0.953923  0.184446  0.614467  1
  Ni  Ni321  1  0.631624  0.651709  0.588464  1
  Ni  Ni322  1  0.631624  0.151709  0.588464  1
  Ni  Ni323  1  0.248192  0.579188  0.660688  1
  Ni  Ni324  1  0.248192  0.079188  0.660688  1
  Ni  Ni325  1  0.524003  0.504065  0.703324  1
  Ni  Ni326  1  0.524003  0.004065  0.703324  1
  Ni  Ni327  1  0.900985  0.572464  0.634819  1
  Ni  Ni328  1  0.900985  0.072464  0.634819  1
  Ni  Ni329  1  0.672676  0.381919  0.608736  1
  Ni  Ni330  1  0.672676  0.881919  0.608736  1
  Ni  Ni331  1  0.301021  0.309052  0.679526  1
  Ni  Ni332  1  0.301021  0.809052  0.679526  1
  Ni  Ni333  1  0.486828  0.764935  0.684123  1
  Ni  Ni334  1  0.486828  0.264935  0.684123  1
  Ni  Ni335  1  0.855235  0.843973  0.613488  1
  Ni  Ni336  1  0.855235  0.343973  0.613488  1
  Ni  Ni337  1  0.754061  0.336478  0.659183  1
  Ni  Ni338  1  0.754061  0.836478  0.659183  1
  Ni  Ni339  1  0.131623  0.407164  0.587484  1
  Ni  Ni340  1  0.131623  0.907164  0.587484  1
  Ni  Ni341  1  0.396438  0.816837  0.634516  1
  Ni  Ni342  1  0.396438  0.316837  0.634516  1
  Ni  Ni343  1  0.020479  0.749792  0.705774  1
  Ni  Ni344  1  0.020479  0.249792  0.705774  1
  Ni  Ni345  1  0.831734  0.448778  0.655544  1
  Ni  Ni346  1  0.831734  0.948778  0.655544  1
  Ni  Ni347  1  0.205340  0.521440  0.583663  1
  Ni  Ni348  1  0.205340  0.021440  0.583663  1
