# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06604592
_cell_length_b   13.20479905
_cell_length_c   47.77590751
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.05145643
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8222.39359698
_cell_formula_units_Z   324
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
  Ni  Ni1  1  0.264263  0.636980  0.311738  1
  Ni  Ni2  1  0.272614  0.282018  0.328962  1
  Ni  Ni3  1  0.418663  0.327954  0.297103  1
  Ni  Ni4  1  0.597597  0.303647  0.311738  1
  Ni  Ni5  1  0.251996  0.994621  0.297103  1
  Ni  Ni6  1  0.430930  0.970313  0.311738  1
  Ni  Ni7  1  0.439280  0.615351  0.328962  1
  Ni  Ni8  1  0.585330  0.661288  0.297103  1
  Ni  Ni9  1  0.764263  0.636980  0.311738  1
  Ni  Ni10  1  0.772614  0.282018  0.328962  1
  Ni  Ni11  1  0.918663  0.327954  0.297103  1
  Ni  Ni12  1  0.097597  0.303647  0.311738  1
  Ni  Ni13  1  0.605947  0.948685  0.328962  1
  Ni  Ni14  1  0.751996  0.994621  0.297103  1
  Ni  Ni15  1  0.930930  0.970313  0.311738  1
  Ni  Ni16  1  0.939280  0.615351  0.328962  1
  Ni  Ni17  1  0.085330  0.661288  0.297103  1
  Ni  Ni18  1  0.105947  0.948685  0.328962  1
  Ni  Ni19  1  0.311429  0.818203  0.301910  1
  Ni  Ni20  1  0.320490  0.462638  0.318131  1
  Ni  Ni21  1  0.465432  0.511330  0.287690  1
  Ni  Ni22  1  0.644763  0.484870  0.301910  1
  Ni  Ni23  1  0.298766  0.177997  0.287690  1
  Ni  Ni24  1  0.478096  0.151536  0.301910  1
  Ni  Ni25  1  0.487157  0.795972  0.318131  1
  Ni  Ni26  1  0.632099  0.844664  0.287690  1
  Ni  Ni27  1  0.811429  0.818203  0.301910  1
  Ni  Ni28  1  0.820490  0.462638  0.318131  1
  Ni  Ni29  1  0.965432  0.511330  0.287690  1
  Ni  Ni30  1  0.144763  0.484870  0.301910  1
  Ni  Ni31  1  0.653824  0.129305  0.318131  1
  Ni  Ni32  1  0.798766  0.177997  0.287690  1
  Ni  Ni33  1  0.978096  0.151536  0.301910  1
  Ni  Ni34  1  0.987157  0.795972  0.318131  1
  Ni  Ni35  1  0.132099  0.844664  0.287690  1
  Ni  Ni36  1  0.153824  0.129305  0.318131  1
  Ni  Ni37  1  0.292945  0.569919  0.360302  1
  Ni  Ni38  1  0.303919  0.214200  0.376195  1
  Ni  Ni39  1  0.450356  0.258803  0.344341  1
  Ni  Ni40  1  0.626278  0.236585  0.360302  1
  Ni  Ni41  1  0.283690  0.925470  0.344341  1
  Ni  Ni42  1  0.459612  0.903252  0.360302  1
  Ni  Ni43  1  0.470585  0.547533  0.376195  1
  Ni  Ni44  1  0.617023  0.592137  0.344341  1
  Ni  Ni45  1  0.792945  0.569919  0.360302  1
  Ni  Ni46  1  0.803919  0.214200  0.376195  1
  Ni  Ni47  1  0.950356  0.258803  0.344341  1
  Ni  Ni48  1  0.126278  0.236585  0.360302  1
  Ni  Ni49  1  0.637252  0.880866  0.376195  1
  Ni  Ni50  1  0.783690  0.925470  0.344341  1
  Ni  Ni51  1  0.959612  0.903252  0.360302  1
  Ni  Ni52  1  0.970585  0.547533  0.376195  1
  Ni  Ni53  1  0.117023  0.592137  0.344341  1
  Ni  Ni54  1  0.137252  0.880866  0.376195  1
  Ni  Ni55  1  0.341594  0.751080  0.349821  1
  Ni  Ni56  1  0.352485  0.395881  0.365726  1
  Ni  Ni57  1  0.499339  0.440008  0.334286  1
  Ni  Ni58  1  0.674927  0.417747  0.349821  1
  Ni  Ni59  1  0.332673  0.106675  0.334286  1
  Ni  Ni60  1  0.508261  0.084413  0.349821  1
  Ni  Ni61  1  0.519152  0.729214  0.365726  1
  Ni  Ni62  1  0.666006  0.773341  0.334286  1
  Ni  Ni63  1  0.841594  0.751080  0.349821  1
  Ni  Ni64  1  0.852485  0.395881  0.365726  1
  Ni  Ni65  1  0.999339  0.440008  0.334286  1
  Ni  Ni66  1  0.174927  0.417747  0.349821  1
  Ni  Ni67  1  0.685819  0.062547  0.365726  1
  Ni  Ni68  1  0.832673  0.106675  0.334286  1
  Ni  Ni69  1  0.008261  0.084413  0.349821  1
  Ni  Ni70  1  0.019152  0.729214  0.365726  1
  Ni  Ni71  1  0.166006  0.773341  0.334286  1
  Ni  Ni72  1  0.185819  0.062547  0.365726  1
  Ni  Ni73  1  0.324443  0.502457  0.407950  1
  Ni  Ni74  1  0.334718  0.146581  0.423856  1
  Ni  Ni75  1  0.480701  0.191409  0.392060  1
  Ni  Ni76  1  0.657776  0.169124  0.407950  1
  Ni  Ni77  1  0.314034  0.858075  0.392060  1
  Ni  Ni78  1  0.491109  0.835790  0.407950  1
  Ni  Ni79  1  0.501384  0.479915  0.423856  1
  Ni  Ni80  1  0.647367  0.524742  0.392060  1
  Ni  Ni81  1  0.824443  0.502457  0.407950  1
  Ni  Ni82  1  0.834718  0.146581  0.423856  1
  Ni  Ni83  1  0.980701  0.191409  0.392060  1
  Ni  Ni84  1  0.157776  0.169124  0.407950  1
  Ni  Ni85  1  0.668051  0.813248  0.423856  1
  Ni  Ni86  1  0.814034  0.858075  0.392060  1
  Ni  Ni87  1  0.991109  0.835790  0.407950  1
  Ni  Ni88  1  1.001384  0.479915  0.423856  1
  Ni  Ni89  1  0.147367  0.524742  0.392060  1
  Ni  Ni90  1  0.168051  0.813248  0.423856  1
  Ni  Ni91  1  0.372695  0.683898  0.397429  1
  Ni  Ni92  1  0.382824  0.328079  0.413379  1
  Ni  Ni93  1  0.528968  0.372862  0.381681  1
  Ni  Ni94  1  0.706028  0.350565  0.397429  1
  Ni  Ni95  1  0.362302  0.039528  0.381681  1
  Ni  Ni96  1  0.539362  0.017232  0.397429  1
  Ni  Ni97  1  0.549490  0.661412  0.413379  1
  Ni  Ni98  1  0.695635  0.706195  0.381681  1
  Ni  Ni99  1  0.872695  0.683898  0.397429  1
  Ni  Ni100  1  0.882824  0.328079  0.413379  1
  Ni  Ni101  1  0.028968  0.372862  0.381681  1
  Ni  Ni102  1  0.206028  0.350565  0.397429  1
  Ni  Ni103  1  0.716157  0.994745  0.413379  1
  Ni  Ni104  1  0.862302  0.039528  0.381681  1
  Ni  Ni105  1  0.039362  0.017232  0.397429  1
  Ni  Ni106  1  0.049490  0.661412  0.413379  1
  Ni  Ni107  1  0.195635  0.706195  0.381681  1
  Ni  Ni108  1  0.216157  0.994745  0.413379  1
  Ni  Ni109  1  0.355344  0.434969  0.455622  1
  Ni  Ni110  1  0.365661  0.079136  0.471507  1
  Ni  Ni111  1  0.511718  0.124066  0.439720  1
  Ni  Ni112  1  0.688678  0.101636  0.455622  1
  Ni  Ni113  1  0.345051  0.790733  0.439720  1
  Ni  Ni114  1  0.522011  0.768302  0.455622  1
  Ni  Ni115  1  0.532328  0.412469  0.471507  1
  Ni  Ni116  1  0.678384  0.457399  0.439720  1
  Ni  Ni117  1  0.855344  0.434969  0.455622  1
  Ni  Ni118  1  0.865661  0.079136  0.471507  1
  Ni  Ni119  1  0.011718  0.124066  0.439720  1
  Ni  Ni120  1  0.188678  0.101636  0.455622  1
  Ni  Ni121  1  0.698994  0.745803  0.471507  1
  Ni  Ni122  1  0.845051  0.790733  0.439720  1
  Ni  Ni123  1  0.022011  0.768302  0.455622  1
  Ni  Ni124  1  0.032328  0.412469  0.471507  1
  Ni  Ni125  1  0.178384  0.457399  0.439720  1
  Ni  Ni126  1  0.198994  0.745803  0.471507  1
  Ni  Ni127  1  0.403418  0.616470  0.445126  1
  Ni  Ni128  1  0.413725  0.260639  0.461021  1
  Ni  Ni129  1  0.559827  0.305555  0.429251  1
  Ni  Ni130  1  0.736752  0.283137  0.445126  1
  Ni  Ni131  1  0.393160  0.972222  0.429251  1
  Ni  Ni132  1  0.570085  0.949804  0.445126  1
  Ni  Ni133  1  0.580392  0.593973  0.461021  1
  Ni  Ni134  1  0.726494  0.638889  0.429251  1
  Ni  Ni135  1  0.903418  0.616470  0.445126  1
  Ni  Ni136  1  0.913725  0.260639  0.461021  1
  Ni  Ni137  1  0.059827  0.305555  0.429251  1
  Ni  Ni138  1  0.236752  0.283137  0.445126  1
  Ni  Ni139  1  0.747059  0.927306  0.461021  1
  Ni  Ni140  1  0.893160  0.972222  0.429251  1
  Ni  Ni141  1  0.070085  0.949804  0.445126  1
  Ni  Ni142  1  0.080392  0.593973  0.461021  1
  Ni  Ni143  1  0.226494  0.638889  0.429251  1
  Ni  Ni144  1  0.247059  0.927306  0.461021  1
  Ni  Ni145  1  0.386262  0.367524  0.503282  1
  Ni  Ni146  1  0.396568  0.011724  0.519166  1
  Ni  Ni147  1  0.542625  0.056668  0.487391  1
  Ni  Ni148  1  0.719596  0.034191  0.503282  1
  Ni  Ni149  1  0.375958  0.723335  0.487391  1
  Ni  Ni150  1  0.552929  0.700857  0.503282  1
  Ni  Ni151  1  0.563235  0.345058  0.519166  1
  Ni  Ni152  1  0.709292  0.390001  0.487391  1
  Ni  Ni153  1  0.886262  0.367524  0.503282  1
  Ni  Ni154  1  0.896568  0.011724  0.519166  1
  Ni  Ni155  1  0.042625  0.056668  0.487391  1
  Ni  Ni156  1  0.219596  0.034191  0.503282  1
  Ni  Ni157  1  0.729902  0.678391  0.519166  1
  Ni  Ni158  1  0.875958  0.723335  0.487391  1
  Ni  Ni159  1  0.052929  0.700857  0.503282  1
  Ni  Ni160  1  0.063235  0.345058  0.519166  1
  Ni  Ni161  1  0.209292  0.390001  0.487391  1
  Ni  Ni162  1  0.229902  0.678391  0.519166  1
  Ni  Ni163  1  0.434324  0.549031  0.492788  1
  Ni  Ni164  1  0.444628  0.193220  0.508679  1
  Ni  Ni165  1  0.590684  0.238164  0.476903  1
  Ni  Ni166  1  0.767657  0.215698  0.492788  1
  Ni  Ni167  1  0.424018  0.904831  0.476903  1
  Ni  Ni168  1  0.600990  0.882364  0.492788  1
  Ni  Ni169  1  0.611295  0.526554  0.508679  1
  Ni  Ni170  1  0.757351  0.571497  0.476903  1
  Ni  Ni171  1  0.934324  0.549031  0.492788  1
  Ni  Ni172  1  0.944628  0.193220  0.508679  1
  Ni  Ni173  1  0.090684  0.238164  0.476903  1
  Ni  Ni174  1  0.267657  0.215698  0.492788  1
  Ni  Ni175  1  0.777961  0.859887  0.508679  1
  Ni  Ni176  1  0.924018  0.904831  0.476903  1
  Ni  Ni177  1  0.100990  0.882364  0.492788  1
  Ni  Ni178  1  0.111295  0.526554  0.508679  1
  Ni  Ni179  1  0.257351  0.571497  0.476903  1
  Ni  Ni180  1  0.277961  0.859887  0.508679  1
  Ni  Ni181  1  0.417168  0.300085  0.550944  1
  Ni  Ni182  1  0.427426  0.944333  0.566818  1
  Ni  Ni183  1  0.573528  0.989249  0.535049  1
  Ni  Ni184  1  0.750501  0.966751  0.550944  1
  Ni  Ni185  1  0.406861  0.655916  0.535049  1
  Ni  Ni186  1  0.583834  0.633418  0.550944  1
  Ni  Ni187  1  0.594092  0.277666  0.566818  1
  Ni  Ni188  1  0.740194  0.322582  0.535049  1
  Ni  Ni189  1  0.917168  0.300085  0.550944  1
  Ni  Ni190  1  0.927426  0.944333  0.566818  1
  Ni  Ni191  1  0.073528  0.989249  0.535049  1
  Ni  Ni192  1  0.250501  0.966751  0.550944  1
  Ni  Ni193  1  0.760759  0.611000  0.566818  1
  Ni  Ni194  1  0.906861  0.655916  0.535049  1
  Ni  Ni195  1  0.083834  0.633418  0.550944  1
  Ni  Ni196  1  0.094092  0.277666  0.566818  1
  Ni  Ni197  1  0.240194  0.322582  0.535049  1
  Ni  Ni198  1  0.260759  0.611000  0.566818  1
  Ni  Ni199  1  0.465242  0.481586  0.540447  1
  Ni  Ni200  1  0.475535  0.125823  0.556350  1
  Ni  Ni201  1  0.621592  0.170752  0.524562  1
  Ni  Ni202  1  0.798575  0.148253  0.540447  1
  Ni  Ni203  1  0.454925  0.837419  0.524562  1
  Ni  Ni204  1  0.631909  0.814919  0.540447  1
  Ni  Ni205  1  0.642202  0.459156  0.556350  1
  Ni  Ni206  1  0.788259  0.504086  0.524562  1
  Ni  Ni207  1  0.965242  0.481586  0.540447  1
  Ni  Ni208  1  0.975535  0.125823  0.556350  1
  Ni  Ni209  1  0.121592  0.170752  0.524562  1
  Ni  Ni210  1  0.298575  0.148253  0.540447  1
  Ni  Ni211  1  0.808869  0.792489  0.556350  1
  Ni  Ni212  1  0.954925  0.837419  0.524562  1
  Ni  Ni213  1  0.131909  0.814919  0.540447  1
  Ni  Ni214  1  0.142202  0.459156  0.556350  1
  Ni  Ni215  1  0.288259  0.504086  0.524562  1
  Ni  Ni216  1  0.308869  0.792489  0.556350  1
  Ni  Ni217  1  0.447891  0.232657  0.598641  1
  Ni  Ni218  1  0.458284  0.877027  0.614389  1
  Ni  Ni219  1  0.604429  0.921810  0.582690  1
  Ni  Ni220  1  0.781225  0.899323  0.598641  1
  Ni  Ni221  1  0.437763  0.588476  0.582690  1
  Ni  Ni222  1  0.614558  0.565990  0.598641  1
  Ni  Ni223  1  0.624951  0.210360  0.614389  1
  Ni  Ni224  1  0.771096  0.255143  0.582690  1
  Ni  Ni225  1  0.947891  0.232657  0.598641  1
  Ni  Ni226  1  0.958284  0.877027  0.614389  1
  Ni  Ni227  1  0.104429  0.921810  0.582690  1
  Ni  Ni228  1  0.281225  0.899323  0.598641  1
  Ni  Ni229  1  0.791618  0.543693  0.614389  1
  Ni  Ni230  1  0.937763  0.588476  0.582690  1
  Ni  Ni231  1  0.114558  0.565990  0.598641  1
  Ni  Ni232  1  0.124951  0.210360  0.614389  1
  Ni  Ni233  1  0.271096  0.255143  0.582690  1
  Ni  Ni234  1  0.291618  0.543693  0.614389  1
  Ni  Ni235  1  0.496144  0.414098  0.588120  1
  Ni  Ni236  1  0.506552  0.058480  0.604009  1
  Ni  Ni237  1  0.652535  0.103307  0.572214  1
  Ni  Ni238  1  0.829477  0.080765  0.588120  1
  Ni  Ni239  1  0.485868  0.769974  0.572214  1
  Ni  Ni240  1  0.662810  0.747431  0.588120  1
  Ni  Ni241  1  0.673219  0.391813  0.604009  1
  Ni  Ni242  1  0.819202  0.436640  0.572214  1
  Ni  Ni243  1  0.996144  0.414098  0.588120  1
  Ni  Ni244  1  0.006552  0.058480  0.604009  1
  Ni  Ni245  1  0.152535  0.103307  0.572214  1
  Ni  Ni246  1  0.329477  0.080765  0.588120  1
  Ni  Ni247  1  0.839885  0.725146  0.604009  1
  Ni  Ni248  1  0.985868  0.769974  0.572214  1
  Ni  Ni249  1  0.162810  0.747431  0.588120  1
  Ni  Ni250  1  0.173219  0.391813  0.604009  1
  Ni  Ni251  1  0.319202  0.436640  0.572214  1
  Ni  Ni252  1  0.339885  0.725146  0.604009  1
  Ni  Ni253  1  0.478992  0.165475  0.646248  1
  Ni  Ni254  1  0.487914  0.809880  0.661783  1
  Ni  Ni255  1  0.634768  0.854008  0.630344  1
  Ni  Ni256  1  0.812325  0.832142  0.646248  1
  Ni  Ni257  1  0.468101  0.520674  0.630344  1
  Ni  Ni258  1  0.645659  0.498808  0.646248  1
  Ni  Ni259  1  0.654580  0.143214  0.661783  1
  Ni  Ni260  1  0.801434  0.187341  0.630344  1
  Ni  Ni261  1  0.978992  0.165475  0.646248  1
  Ni  Ni262  1  0.987914  0.809880  0.661783  1
  Ni  Ni263  1  0.134768  0.854008  0.630344  1
  Ni  Ni264  1  0.312325  0.832142  0.646248  1
  Ni  Ni265  1  0.821247  0.476547  0.661783  1
  Ni  Ni266  1  0.968101  0.520674  0.630344  1
  Ni  Ni267  1  0.145659  0.498808  0.646248  1
  Ni  Ni268  1  0.154580  0.143214  0.661783  1
  Ni  Ni269  1  0.301434  0.187341  0.630344  1
  Ni  Ni270  1  0.321247  0.476547  0.661783  1
  Ni  Ni271  1  0.527641  0.346636  0.635767  1
  Ni  Ni272  1  0.536897  0.991085  0.651729  1
  Ni  Ni273  1  0.683334  0.035689  0.619875  1
  Ni  Ni274  1  0.860974  0.013303  0.635767  1
  Ni  Ni275  1  0.516668  0.702355  0.619875  1
  Ni  Ni276  1  0.694308  0.679970  0.635767  1
  Ni  Ni277  1  0.703563  0.324418  0.651729  1
  Ni  Ni278  1  0.850001  0.369022  0.619875  1
  Ni  Ni279  1  0.027641  0.346636  0.635767  1
  Ni  Ni280  1  0.036897  0.991085  0.651729  1
  Ni  Ni281  1  0.183334  0.035689  0.619875  1
  Ni  Ni282  1  0.360974  0.013303  0.635767  1
  Ni  Ni283  1  0.870230  0.657752  0.651729  1
  Ni  Ni284  1  0.016668  0.702355  0.619875  1
  Ni  Ni285  1  0.194308  0.679970  0.635767  1
  Ni  Ni286  1  0.203563  0.324418  0.651729  1
  Ni  Ni287  1  0.350001  0.369022  0.619875  1
  Ni  Ni288  1  0.370230  0.657752  0.651729  1
  Ni  Ni289  1  0.509157  0.098352  0.694160  1
  Ni  Ni290  1  0.521820  0.738558  0.708379  1
  Ni  Ni291  1  0.666762  0.787250  0.677939  1
  Ni  Ni292  1  0.842490  0.765019  0.694160  1
  Ni  Ni293  1  0.500096  0.453917  0.677939  1
  Ni  Ni294  1  0.675823  0.431685  0.694160  1
  Ni  Ni295  1  0.688487  0.071891  0.708379  1
  Ni  Ni296  1  0.833429  0.120584  0.677939  1
  Ni  Ni297  1  0.009157  0.098352  0.694160  1
  Ni  Ni298  1  0.021820  0.738558  0.708379  1
  Ni  Ni299  1  0.166762  0.787250  0.677939  1
  Ni  Ni300  1  0.342490  0.765019  0.694160  1
  Ni  Ni301  1  0.855154  0.405225  0.708379  1
  Ni  Ni302  1  1.000096  0.453917  0.677939  1
  Ni  Ni303  1  0.175823  0.431685  0.694160  1
  Ni  Ni304  1  0.188487  0.071891  0.708379  1
  Ni  Ni305  1  0.333429  0.120584  0.677939  1
  Ni  Ni306  1  0.355154  0.405225  0.708379  1
  Ni  Ni307  1  0.556323  0.279575  0.684331  1
  Ni  Ni308  1  0.568590  0.921934  0.698966  1
  Ni  Ni309  1  0.714639  0.967870  0.667108  1
  Ni  Ni310  1  0.889656  0.946242  0.684331  1
  Ni  Ni311  1  0.547973  0.634537  0.667108  1
  Ni  Ni312  1  0.722990  0.612908  0.684331  1
  Ni  Ni313  1  0.735257  0.255267  0.698966  1
  Ni  Ni314  1  0.881306  0.301204  0.667108  1
  Ni  Ni315  1  0.056323  0.279575  0.684331  1
  Ni  Ni316  1  0.068590  0.921934  0.698966  1
  Ni  Ni317  1  0.214639  0.967870  0.667108  1
  Ni  Ni318  1  0.389656  0.946242  0.684331  1
  Ni  Ni319  1  0.901923  0.588601  0.698966  1
  Ni  Ni320  1  0.047973  0.634537  0.667108  1
  Ni  Ni321  1  0.222990  0.612908  0.684331  1
  Ni  Ni322  1  0.235257  0.255267  0.698966  1
  Ni  Ni323  1  0.381306  0.301204  0.667108  1
  Ni  Ni324  1  0.401923  0.588601  0.698966  1
