# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.07784076
_cell_length_b   13.20817728
_cell_length_c   47.79914458
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.05253533
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8235.91431643
_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  0.264888  0.638563  0.312255  1
  Ni  Ni2  1  0.273521  0.282527  0.329029  1
  Ni  Ni3  1  0.420256  0.328299  0.297896  1
  Ni  Ni4  1  0.598222  0.305230  0.312255  1
  Ni  Ni5  1  0.253589  0.994966  0.297896  1
  Ni  Ni6  1  0.431555  0.971897  0.312255  1
  Ni  Ni7  1  0.440187  0.615860  0.329029  1
  Ni  Ni8  1  0.586923  0.661633  0.297896  1
  Ni  Ni9  1  0.764888  0.638563  0.312255  1
  Ni  Ni10  1  0.773521  0.282527  0.329029  1
  Ni  Ni11  1  0.920256  0.328299  0.297896  1
  Ni  Ni12  1  0.098222  0.305230  0.312255  1
  Ni  Ni13  1  0.606854  0.949193  0.329029  1
  Ni  Ni14  1  0.753589  0.994966  0.297896  1
  Ni  Ni15  1  0.931555  0.971897  0.312255  1
  Ni  Ni16  1  0.940187  0.615860  0.329029  1
  Ni  Ni17  1  0.086923  0.661633  0.297896  1
  Ni  Ni18  1  0.106854  0.949193  0.329029  1
  Ni  Ni19  1  0.311815  0.819672  0.303069  1
  Ni  Ni20  1  0.320927  0.462757  0.318248  1
  Ni  Ni21  1  0.469993  0.509927  0.289129  1
  Ni  Ni22  1  0.645149  0.486339  0.303069  1
  Ni  Ni23  1  0.303327  0.176594  0.289129  1
  Ni  Ni24  1  0.478482  0.153006  0.303069  1
  Ni  Ni25  1  0.487593  0.796090  0.318248  1
  Ni  Ni26  1  0.636660  0.843260  0.289129  1
  Ni  Ni27  1  0.811815  0.819672  0.303069  1
  Ni  Ni28  1  0.820927  0.462757  0.318248  1
  Ni  Ni29  1  0.969993  0.509927  0.289129  1
  Ni  Ni30  1  0.145149  0.486339  0.303069  1
  Ni  Ni31  1  0.654260  0.129423  0.318248  1
  Ni  Ni32  1  0.803327  0.176594  0.289129  1
  Ni  Ni33  1  0.978482  0.153006  0.303069  1
  Ni  Ni34  1  0.987593  0.796090  0.318248  1
  Ni  Ni35  1  0.136660  0.843260  0.289129  1
  Ni  Ni36  1  0.154260  0.129423  0.318248  1
  Ni  Ni37  1  0.293651  0.569925  0.360304  1
  Ni  Ni38  1  0.304281  0.214392  0.376463  1
  Ni  Ni39  1  0.450839  0.259081  0.344571  1
  Ni  Ni40  1  0.626984  0.236592  0.360304  1
  Ni  Ni41  1  0.284173  0.925748  0.344571  1
  Ni  Ni42  1  0.460318  0.903258  0.360304  1
  Ni  Ni43  1  0.470947  0.547726  0.376463  1
  Ni  Ni44  1  0.617506  0.592415  0.344571  1
  Ni  Ni45  1  0.793651  0.569925  0.360304  1
  Ni  Ni46  1  0.804281  0.214392  0.376463  1
  Ni  Ni47  1  0.950839  0.259081  0.344571  1
  Ni  Ni48  1  0.126984  0.236592  0.360304  1
  Ni  Ni49  1  0.637614  0.881059  0.376463  1
  Ni  Ni50  1  0.784173  0.925748  0.344571  1
  Ni  Ni51  1  0.960318  0.903258  0.360304  1
  Ni  Ni52  1  0.970947  0.547726  0.376463  1
  Ni  Ni53  1  0.117506  0.592415  0.344571  1
  Ni  Ni54  1  0.137614  0.881059  0.376463  1
  Ni  Ni55  1  0.341928  0.751329  0.350278  1
  Ni  Ni56  1  0.352565  0.395876  0.365949  1
  Ni  Ni57  1  0.499242  0.440212  0.334842  1
  Ni  Ni58  1  0.675262  0.417995  0.350278  1
  Ni  Ni59  1  0.332575  0.106878  0.334842  1
  Ni  Ni60  1  0.508595  0.084662  0.350278  1
  Ni  Ni61  1  0.519231  0.729209  0.365949  1
  Ni  Ni62  1  0.665908  0.773545  0.334842  1
  Ni  Ni63  1  0.841928  0.751329  0.350278  1
  Ni  Ni64  1  0.852565  0.395876  0.365949  1
  Ni  Ni65  1  0.999242  0.440212  0.334842  1
  Ni  Ni66  1  0.175262  0.417995  0.350278  1
  Ni  Ni67  1  0.685898  0.062542  0.365949  1
  Ni  Ni68  1  0.832575  0.106878  0.334842  1
  Ni  Ni69  1  0.008595  0.084662  0.350278  1
  Ni  Ni70  1  0.019231  0.729209  0.365949  1
  Ni  Ni71  1  0.165908  0.773545  0.334842  1
  Ni  Ni72  1  0.185898  0.062542  0.365949  1
  Ni  Ni73  1  0.324692  0.502528  0.408213  1
  Ni  Ni74  1  0.335002  0.146694  0.424207  1
  Ni  Ni75  1  0.481091  0.191546  0.392369  1
  Ni  Ni76  1  0.658025  0.169195  0.408213  1
  Ni  Ni77  1  0.314425  0.858212  0.392369  1
  Ni  Ni78  1  0.491358  0.835862  0.408213  1
  Ni  Ni79  1  0.501668  0.480027  0.424207  1
  Ni  Ni80  1  0.647758  0.524879  0.392369  1
  Ni  Ni81  1  0.824692  0.502528  0.408213  1
  Ni  Ni82  1  0.835002  0.146694  0.424207  1
  Ni  Ni83  1  0.981091  0.191546  0.392369  1
  Ni  Ni84  1  0.158025  0.169195  0.408213  1
  Ni  Ni85  1  0.668335  0.813361  0.424207  1
  Ni  Ni86  1  0.814425  0.858212  0.392369  1
  Ni  Ni87  1  0.991358  0.835862  0.408213  1
  Ni  Ni88  1  1.001668  0.480027  0.424207  1
  Ni  Ni89  1  0.147758  0.524879  0.392369  1
  Ni  Ni90  1  0.168335  0.813361  0.424207  1
  Ni  Ni91  1  0.372947  0.683801  0.397784  1
  Ni  Ni92  1  0.383127  0.328205  0.413722  1
  Ni  Ni93  1  0.529306  0.372731  0.382058  1
  Ni  Ni94  1  0.706280  0.350468  0.397784  1
  Ni  Ni95  1  0.362639  0.039398  0.382058  1
  Ni  Ni96  1  0.539613  0.017134  0.397784  1
  Ni  Ni97  1  0.549794  0.661539  0.413722  1
  Ni  Ni98  1  0.695972  0.706064  0.382058  1
  Ni  Ni99  1  0.872947  0.683801  0.397784  1
  Ni  Ni100  1  0.883127  0.328205  0.413722  1
  Ni  Ni101  1  0.029306  0.372731  0.382058  1
  Ni  Ni102  1  0.206280  0.350468  0.397784  1
  Ni  Ni103  1  0.716460  0.994872  0.413722  1
  Ni  Ni104  1  0.862639  0.039398  0.382058  1
  Ni  Ni105  1  0.039613  0.017134  0.397784  1
  Ni  Ni106  1  0.049794  0.661539  0.413722  1
  Ni  Ni107  1  0.195972  0.706064  0.382058  1
  Ni  Ni108  1  0.216460  0.994872  0.413722  1
  Ni  Ni109  1  0.355598  0.435064  0.456013  1
  Ni  Ni110  1  0.365920  0.079246  0.471937  1
  Ni  Ni111  1  0.512000  0.124126  0.440098  1
  Ni  Ni112  1  0.688931  0.101731  0.456013  1
  Ni  Ni113  1  0.345333  0.790793  0.440098  1
  Ni  Ni114  1  0.522264  0.768397  0.456013  1
  Ni  Ni115  1  0.532587  0.412579  0.471937  1
  Ni  Ni116  1  0.678666  0.457459  0.440098  1
  Ni  Ni117  1  0.855598  0.435064  0.456013  1
  Ni  Ni118  1  0.865920  0.079246  0.471937  1
  Ni  Ni119  1  0.012000  0.124126  0.440098  1
  Ni  Ni120  1  0.188931  0.101731  0.456013  1
  Ni  Ni121  1  0.699253  0.745912  0.471937  1
  Ni  Ni122  1  0.845333  0.790793  0.440098  1
  Ni  Ni123  1  0.022264  0.768397  0.456013  1
  Ni  Ni124  1  0.032587  0.412579  0.471937  1
  Ni  Ni125  1  0.178666  0.457459  0.440098  1
  Ni  Ni126  1  0.199253  0.745912  0.471937  1
  Ni  Ni127  1  0.403737  0.616503  0.445524  1
  Ni  Ni128  1  0.414038  0.260733  0.461437  1
  Ni  Ni129  1  0.560142  0.305588  0.429660  1
  Ni  Ni130  1  0.737070  0.283170  0.445524  1
  Ni  Ni131  1  0.393475  0.972255  0.429660  1
  Ni  Ni132  1  0.570403  0.949837  0.445524  1
  Ni  Ni133  1  0.580705  0.594066  0.461437  1
  Ni  Ni134  1  0.726809  0.638922  0.429660  1
  Ni  Ni135  1  0.903737  0.616503  0.445524  1
  Ni  Ni136  1  0.914038  0.260733  0.461437  1
  Ni  Ni137  1  0.060142  0.305588  0.429660  1
  Ni  Ni138  1  0.237070  0.283170  0.445524  1
  Ni  Ni139  1  0.747372  0.927399  0.461437  1
  Ni  Ni140  1  0.893475  0.972255  0.429660  1
  Ni  Ni141  1  0.070403  0.949837  0.445524  1
  Ni  Ni142  1  0.080705  0.594066  0.461437  1
  Ni  Ni143  1  0.226809  0.638922  0.429660  1
  Ni  Ni144  1  0.247372  0.927399  0.461437  1
  Ni  Ni145  1  0.386525  0.367633  0.503755  1
  Ni  Ni146  1  0.396836  0.011851  0.519658  1
  Ni  Ni147  1  0.542890  0.056749  0.487842  1
  Ni  Ni148  1  0.719858  0.034300  0.503755  1
  Ni  Ni149  1  0.376223  0.723416  0.487842  1
  Ni  Ni150  1  0.553192  0.700967  0.503755  1
  Ni  Ni151  1  0.563502  0.345185  0.519658  1
  Ni  Ni152  1  0.709556  0.390083  0.487842  1
  Ni  Ni153  1  0.886525  0.367633  0.503755  1
  Ni  Ni154  1  0.896836  0.011851  0.519658  1
  Ni  Ni155  1  0.042890  0.056749  0.487842  1
  Ni  Ni156  1  0.219858  0.034300  0.503755  1
  Ni  Ni157  1  0.730169  0.678518  0.519658  1
  Ni  Ni158  1  0.876223  0.723416  0.487842  1
  Ni  Ni159  1  0.053192  0.700967  0.503755  1
  Ni  Ni160  1  0.063502  0.345185  0.519658  1
  Ni  Ni161  1  0.209556  0.390083  0.487842  1
  Ni  Ni162  1  0.230169  0.678518  0.519658  1
  Ni  Ni163  1  0.434649  0.549119  0.493256  1
  Ni  Ni164  1  0.444951  0.193336  0.509169  1
  Ni  Ni165  1  0.591005  0.238234  0.477353  1
  Ni  Ni166  1  0.767982  0.215785  0.493256  1
  Ni  Ni167  1  0.424338  0.904901  0.477353  1
  Ni  Ni168  1  0.601315  0.882452  0.493256  1
  Ni  Ni169  1  0.611617  0.526669  0.509169  1
  Ni  Ni170  1  0.757671  0.571567  0.477353  1
  Ni  Ni171  1  0.934649  0.549119  0.493256  1
  Ni  Ni172  1  0.944951  0.193336  0.509169  1
  Ni  Ni173  1  0.091005  0.238234  0.477353  1
  Ni  Ni174  1  0.267982  0.215785  0.493256  1
  Ni  Ni175  1  0.778284  0.860003  0.509169  1
  Ni  Ni176  1  0.924338  0.904901  0.477353  1
  Ni  Ni177  1  0.101315  0.882452  0.493256  1
  Ni  Ni178  1  0.111617  0.526669  0.509169  1
  Ni  Ni179  1  0.257671  0.571567  0.477353  1
  Ni  Ni180  1  0.278284  0.860003  0.509169  1
  Ni  Ni181  1  0.417437  0.300248  0.551487  1
  Ni  Ni182  1  0.427699  0.944497  0.567351  1
  Ni  Ni183  1  0.573802  0.989353  0.535574  1
  Ni  Ni184  1  0.750771  0.966915  0.551487  1
  Ni  Ni185  1  0.407136  0.656019  0.535574  1
  Ni  Ni186  1  0.584104  0.633582  0.551487  1
  Ni  Ni187  1  0.594365  0.277830  0.567351  1
  Ni  Ni188  1  0.740469  0.322686  0.535574  1
  Ni  Ni189  1  0.917437  0.300248  0.551487  1
  Ni  Ni190  1  0.927699  0.944497  0.567351  1
  Ni  Ni191  1  0.073802  0.989353  0.535574  1
  Ni  Ni192  1  0.250771  0.966915  0.551487  1
  Ni  Ni193  1  0.761032  0.611164  0.567351  1
  Ni  Ni194  1  0.907136  0.656019  0.535574  1
  Ni  Ni195  1  0.084104  0.633582  0.551487  1
  Ni  Ni196  1  0.094365  0.277830  0.567351  1
  Ni  Ni197  1  0.240469  0.322686  0.535574  1
  Ni  Ni198  1  0.261032  0.611164  0.567351  1
  Ni  Ni199  1  0.465576  0.481688  0.540999  1
  Ni  Ni200  1  0.475841  0.125959  0.556914  1
  Ni  Ni201  1  0.621921  0.170840  0.525074  1
  Ni  Ni202  1  0.798910  0.148355  0.540999  1
  Ni  Ni203  1  0.455254  0.837506  0.525074  1
  Ni  Ni204  1  0.632243  0.815021  0.540999  1
  Ni  Ni205  1  0.642507  0.459293  0.556914  1
  Ni  Ni206  1  0.788587  0.504173  0.525074  1
  Ni  Ni207  1  0.965576  0.481688  0.540999  1
  Ni  Ni208  1  0.975841  0.125959  0.556914  1
  Ni  Ni209  1  0.121921  0.170840  0.525074  1
  Ni  Ni210  1  0.298910  0.148355  0.540999  1
  Ni  Ni211  1  0.809174  0.792626  0.556914  1
  Ni  Ni212  1  0.955254  0.837506  0.525074  1
  Ni  Ni213  1  0.132243  0.815021  0.540999  1
  Ni  Ni214  1  0.142507  0.459293  0.556914  1
  Ni  Ni215  1  0.288587  0.504173  0.525074  1
  Ni  Ni216  1  0.309174  0.792626  0.556914  1
  Ni  Ni217  1  0.448227  0.232951  0.599227  1
  Ni  Ni218  1  0.458535  0.877354  0.614953  1
  Ni  Ni219  1  0.604713  0.921880  0.583289  1
  Ni  Ni220  1  0.781560  0.899618  0.599227  1
  Ni  Ni221  1  0.438047  0.588546  0.583289  1
  Ni  Ni222  1  0.614894  0.566284  0.599227  1
  Ni  Ni223  1  0.625201  0.210688  0.614953  1
  Ni  Ni224  1  0.771380  0.255213  0.583289  1
  Ni  Ni225  1  0.948227  0.232951  0.599227  1
  Ni  Ni226  1  0.958535  0.877354  0.614953  1
  Ni  Ni227  1  0.104713  0.921880  0.583289  1
  Ni  Ni228  1  0.281560  0.899618  0.599227  1
  Ni  Ni229  1  0.791868  0.544021  0.614953  1
  Ni  Ni230  1  0.938047  0.588546  0.583289  1
  Ni  Ni231  1  0.114894  0.566284  0.599227  1
  Ni  Ni232  1  0.125201  0.210688  0.614953  1
  Ni  Ni233  1  0.271380  0.255213  0.583289  1
  Ni  Ni234  1  0.291868  0.544021  0.614953  1
  Ni  Ni235  1  0.496482  0.414224  0.588798  1
  Ni  Ni236  1  0.506749  0.058540  0.604642  1
  Ni  Ni237  1  0.652839  0.103391  0.572804  1
  Ni  Ni238  1  0.829815  0.080890  0.588798  1
  Ni  Ni239  1  0.486172  0.770058  0.572804  1
  Ni  Ni240  1  0.663149  0.747557  0.588798  1
  Ni  Ni241  1  0.673416  0.391873  0.604642  1
  Ni  Ni242  1  0.819506  0.436725  0.572804  1
  Ni  Ni243  1  0.996482  0.414224  0.588798  1
  Ni  Ni244  1  0.006749  0.058540  0.604642  1
  Ni  Ni245  1  0.152839  0.103391  0.572804  1
  Ni  Ni246  1  0.329815  0.080890  0.588798  1
  Ni  Ni247  1  0.840083  0.725206  0.604642  1
  Ni  Ni248  1  0.986172  0.770058  0.572804  1
  Ni  Ni249  1  0.163149  0.747557  0.588798  1
  Ni  Ni250  1  0.173416  0.391873  0.604642  1
  Ni  Ni251  1  0.319506  0.436725  0.572804  1
  Ni  Ni252  1  0.340083  0.725206  0.604642  1
  Ni  Ni253  1  0.479245  0.165423  0.646733  1
  Ni  Ni254  1  0.488599  0.809874  0.662169  1
  Ni  Ni255  1  0.635276  0.854209  0.631062  1
  Ni  Ni256  1  0.812579  0.832090  0.646733  1
  Ni  Ni257  1  0.468609  0.520876  0.631062  1
  Ni  Ni258  1  0.645912  0.498757  0.646733  1
  Ni  Ni259  1  0.655265  0.143207  0.662169  1
  Ni  Ni260  1  0.801943  0.187543  0.631062  1
  Ni  Ni261  1  0.979245  0.165423  0.646733  1
  Ni  Ni262  1  0.988599  0.809874  0.662169  1
  Ni  Ni263  1  0.135276  0.854209  0.631062  1
  Ni  Ni264  1  0.312579  0.832090  0.646733  1
  Ni  Ni265  1  0.821932  0.476540  0.662169  1
  Ni  Ni266  1  0.968609  0.520876  0.631062  1
  Ni  Ni267  1  0.145912  0.498757  0.646733  1
  Ni  Ni268  1  0.155265  0.143207  0.662169  1
  Ni  Ni269  1  0.301943  0.187543  0.631062  1
  Ni  Ni270  1  0.321932  0.476540  0.662169  1
  Ni  Ni271  1  0.527523  0.346827  0.636707  1
  Ni  Ni272  1  0.537001  0.991004  0.652440  1
  Ni  Ni273  1  0.683560  0.035693  0.620548  1
  Ni  Ni274  1  0.860856  0.013494  0.636707  1
  Ni  Ni275  1  0.516893  0.702360  0.620548  1
  Ni  Ni276  1  0.694190  0.680160  0.636707  1
  Ni  Ni277  1  0.703668  0.324337  0.652440  1
  Ni  Ni278  1  0.850226  0.369026  0.620548  1
  Ni  Ni279  1  0.027523  0.346827  0.636707  1
  Ni  Ni280  1  0.037001  0.991004  0.652440  1
  Ni  Ni281  1  0.183560  0.035693  0.620548  1
  Ni  Ni282  1  0.360856  0.013494  0.636707  1
  Ni  Ni283  1  0.870334  0.657671  0.652440  1
  Ni  Ni284  1  0.016893  0.702360  0.620548  1
  Ni  Ni285  1  0.194190  0.680160  0.636707  1
  Ni  Ni286  1  0.203668  0.324337  0.652440  1
  Ni  Ni287  1  0.350226  0.369026  0.620548  1
  Ni  Ni288  1  0.370334  0.657671  0.652440  1
  Ni  Ni289  1  0.509358  0.097079  0.693942  1
  Ni  Ni290  1  0.517847  0.740158  0.707882  1
  Ni  Ni291  1  0.666914  0.787328  0.678763  1
  Ni  Ni292  1  0.842692  0.763746  0.693942  1
  Ni  Ni293  1  0.500247  0.453995  0.678763  1
  Ni  Ni294  1  0.676025  0.430413  0.693942  1
  Ni  Ni295  1  0.684514  0.073492  0.707882  1
  Ni  Ni296  1  0.833580  0.120662  0.678763  1
  Ni  Ni297  1  0.009358  0.097079  0.693942  1
  Ni  Ni298  1  0.017847  0.740158  0.707882  1
  Ni  Ni299  1  0.166914  0.787328  0.678763  1
  Ni  Ni300  1  0.342692  0.763746  0.693942  1
  Ni  Ni301  1  0.851181  0.406825  0.707882  1
  Ni  Ni302  1  1.000247  0.453995  0.678763  1
  Ni  Ni303  1  0.176025  0.430413  0.693942  1
  Ni  Ni304  1  0.184514  0.073492  0.707882  1
  Ni  Ni305  1  0.333580  0.120662  0.678763  1
  Ni  Ni306  1  0.351181  0.406825  0.707882  1
  Ni  Ni307  1  0.556285  0.278189  0.684756  1
  Ni  Ni308  1  0.567584  0.921786  0.699115  1
  Ni  Ni309  1  0.714320  0.967558  0.667982  1
  Ni  Ni310  1  0.889619  0.944855  0.684756  1
  Ni  Ni311  1  0.547653  0.634225  0.667982  1
  Ni  Ni312  1  0.722952  0.611522  0.684756  1
  Ni  Ni313  1  0.734251  0.255119  0.699115  1
  Ni  Ni314  1  0.880986  0.300892  0.667982  1
  Ni  Ni315  1  0.056285  0.278189  0.684756  1
  Ni  Ni316  1  0.067584  0.921786  0.699115  1
  Ni  Ni317  1  0.214320  0.967558  0.667982  1
  Ni  Ni318  1  0.389619  0.944855  0.684756  1
  Ni  Ni319  1  0.900918  0.588452  0.699115  1
  Ni  Ni320  1  0.047653  0.634225  0.667982  1
  Ni  Ni321  1  0.222952  0.611522  0.684756  1
  Ni  Ni322  1  0.234251  0.255119  0.699115  1
  Ni  Ni323  1  0.380986  0.300892  0.667982  1
  Ni  Ni324  1  0.400918  0.588452  0.699115  1
