# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08981013
_cell_length_b   13.14891949
_cell_length_c   47.82799966
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.07578532
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8211.18562016
_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  0.263269  0.630323  0.311156  1
  Ni  Ni2  1  0.271478  0.276182  0.328870  1
  Ni  Ni3  1  0.417103  0.322836  0.296422  1
  Ni  Ni4  1  0.596602  0.296989  0.311156  1
  Ni  Ni5  1  0.250436  0.989503  0.296422  1
  Ni  Ni6  1  0.429935  0.963656  0.311156  1
  Ni  Ni7  1  0.438144  0.609516  0.328870  1
  Ni  Ni8  1  0.583770  0.656169  0.296422  1
  Ni  Ni9  1  0.763269  0.630323  0.311156  1
  Ni  Ni10  1  0.771478  0.276182  0.328870  1
  Ni  Ni11  1  0.917103  0.322836  0.296422  1
  Ni  Ni12  1  0.096602  0.296989  0.311156  1
  Ni  Ni13  1  0.604811  0.942849  0.328870  1
  Ni  Ni14  1  0.750436  0.989503  0.296422  1
  Ni  Ni15  1  0.929935  0.963656  0.311156  1
  Ni  Ni16  1  0.938144  0.609516  0.328870  1
  Ni  Ni17  1  0.083770  0.656169  0.296422  1
  Ni  Ni18  1  0.104811  0.942849  0.328870  1
  Ni  Ni19  1  0.310631  0.810931  0.300744  1
  Ni  Ni20  1  0.319037  0.456504  0.318002  1
  Ni  Ni21  1  0.461444  0.508013  0.286524  1
  Ni  Ni22  1  0.643964  0.477598  0.300744  1
  Ni  Ni23  1  0.294777  0.174680  0.286524  1
  Ni  Ni24  1  0.477298  0.144264  0.300744  1
  Ni  Ni25  1  0.485704  0.789837  0.318002  1
  Ni  Ni26  1  0.628111  0.841346  0.286524  1
  Ni  Ni27  1  0.810631  0.810931  0.300744  1
  Ni  Ni28  1  0.819037  0.456504  0.318002  1
  Ni  Ni29  1  0.961444  0.508013  0.286524  1
  Ni  Ni30  1  0.143964  0.477598  0.300744  1
  Ni  Ni31  1  0.652370  0.123170  0.318002  1
  Ni  Ni32  1  0.794777  0.174680  0.286524  1
  Ni  Ni33  1  0.977298  0.144264  0.300744  1
  Ni  Ni34  1  0.985704  0.789837  0.318002  1
  Ni  Ni35  1  0.128111  0.841346  0.286524  1
  Ni  Ni36  1  0.152370  0.123170  0.318002  1
  Ni  Ni37  1  0.291945  0.563627  0.360161  1
  Ni  Ni38  1  0.302954  0.207608  0.375938  1
  Ni  Ni39  1  0.449410  0.252804  0.344024  1
  Ni  Ni40  1  0.625279  0.230293  0.360161  1
  Ni  Ni41  1  0.282743  0.919470  0.344024  1
  Ni  Ni42  1  0.458612  0.896960  0.360161  1
  Ni  Ni43  1  0.469621  0.540942  0.375938  1
  Ni  Ni44  1  0.616076  0.586137  0.344024  1
  Ni  Ni45  1  0.791945  0.563627  0.360161  1
  Ni  Ni46  1  0.802954  0.207608  0.375938  1
  Ni  Ni47  1  0.949410  0.252804  0.344024  1
  Ni  Ni48  1  0.125279  0.230293  0.360161  1
  Ni  Ni49  1  0.636288  0.874275  0.375938  1
  Ni  Ni50  1  0.782743  0.919470  0.344024  1
  Ni  Ni51  1  0.958612  0.896960  0.360161  1
  Ni  Ni52  1  0.969621  0.540942  0.375938  1
  Ni  Ni53  1  0.116076  0.586137  0.344024  1
  Ni  Ni54  1  0.136288  0.874275  0.375938  1
  Ni  Ni55  1  0.340397  0.745124  0.349573  1
  Ni  Ni56  1  0.351580  0.389631  0.365505  1
  Ni  Ni57  1  0.498244  0.434485  0.333840  1
  Ni  Ni58  1  0.673730  0.411791  0.349573  1
  Ni  Ni59  1  0.331577  0.101151  0.333840  1
  Ni  Ni60  1  0.507064  0.078457  0.349573  1
  Ni  Ni61  1  0.518246  0.722964  0.365505  1
  Ni  Ni62  1  0.664910  0.767818  0.333840  1
  Ni  Ni63  1  0.840397  0.745124  0.349573  1
  Ni  Ni64  1  0.851580  0.389631  0.365505  1
  Ni  Ni65  1  0.998244  0.434485  0.333840  1
  Ni  Ni66  1  0.173730  0.411791  0.349573  1
  Ni  Ni67  1  0.684913  0.056297  0.365505  1
  Ni  Ni68  1  0.831577  0.101151  0.333840  1
  Ni  Ni69  1  0.007064  0.078457  0.349573  1
  Ni  Ni70  1  0.018246  0.722964  0.365505  1
  Ni  Ni71  1  0.164910  0.767818  0.333840  1
  Ni  Ni72  1  0.184913  0.056297  0.365505  1
  Ni  Ni73  1  0.323398  0.495290  0.407678  1
  Ni  Ni74  1  0.333666  0.139086  0.423529  1
  Ni  Ni75  1  0.479645  0.184607  0.391792  1
  Ni  Ni76  1  0.656732  0.161956  0.407678  1
  Ni  Ni77  1  0.312978  0.851274  0.391792  1
  Ni  Ni78  1  0.490065  0.828623  0.407678  1
  Ni  Ni79  1  0.500333  0.472419  0.423529  1
  Ni  Ni80  1  0.646312  0.517940  0.391792  1
  Ni  Ni81  1  0.823398  0.495290  0.407678  1
  Ni  Ni82  1  0.833666  0.139086  0.423529  1
  Ni  Ni83  1  0.979645  0.184607  0.391792  1
  Ni  Ni84  1  0.156732  0.161956  0.407678  1
  Ni  Ni85  1  0.667000  0.805753  0.423529  1
  Ni  Ni86  1  0.812978  0.851274  0.391792  1
  Ni  Ni87  1  0.990065  0.828623  0.407678  1
  Ni  Ni88  1  1.000333  0.472419  0.423529  1
  Ni  Ni89  1  0.146312  0.517940  0.391792  1
  Ni  Ni90  1  0.167000  0.805753  0.423529  1
  Ni  Ni91  1  0.371814  0.677042  0.397114  1
  Ni  Ni92  1  0.381995  0.320859  0.413030  1
  Ni  Ni93  1  0.528044  0.366335  0.381320  1
  Ni  Ni94  1  0.705147  0.343709  0.397114  1
  Ni  Ni95  1  0.361377  0.033001  0.381320  1
  Ni  Ni96  1  0.538480  0.010376  0.397114  1
  Ni  Ni97  1  0.548662  0.654192  0.413030  1
  Ni  Ni98  1  0.694710  0.699668  0.381320  1
  Ni  Ni99  1  0.871814  0.677042  0.397114  1
  Ni  Ni100  1  0.881995  0.320859  0.413030  1
  Ni  Ni101  1  0.028044  0.366335  0.381320  1
  Ni  Ni102  1  0.205147  0.343709  0.397114  1
  Ni  Ni103  1  0.715328  0.987525  0.413030  1
  Ni  Ni104  1  0.861377  0.033001  0.381320  1
  Ni  Ni105  1  0.038480  0.010376  0.397114  1
  Ni  Ni106  1  0.048662  0.654192  0.413030  1
  Ni  Ni107  1  0.194710  0.699668  0.381320  1
  Ni  Ni108  1  0.215328  0.987525  0.413030  1
  Ni  Ni109  1  0.354272  0.426862  0.455261  1
  Ni  Ni110  1  0.364571  0.070727  0.471118  1
  Ni  Ni111  1  0.510642  0.116299  0.439384  1
  Ni  Ni112  1  0.687605  0.093529  0.455261  1
  Ni  Ni113  1  0.343975  0.782966  0.439384  1
  Ni  Ni114  1  0.520938  0.760195  0.455261  1
  Ni  Ni115  1  0.531238  0.404060  0.471118  1
  Ni  Ni116  1  0.677308  0.449632  0.439384  1
  Ni  Ni117  1  0.854272  0.426862  0.455261  1
  Ni  Ni118  1  0.864571  0.070727  0.471118  1
  Ni  Ni119  1  0.010642  0.116299  0.439384  1
  Ni  Ni120  1  0.187605  0.093529  0.455261  1
  Ni  Ni121  1  0.697905  0.737394  0.471118  1
  Ni  Ni122  1  0.843975  0.782966  0.439384  1
  Ni  Ni123  1  0.020938  0.760195  0.455261  1
  Ni  Ni124  1  0.031238  0.404060  0.471118  1
  Ni  Ni125  1  0.177308  0.449632  0.439384  1
  Ni  Ni126  1  0.197905  0.737394  0.471118  1
  Ni  Ni127  1  0.402589  0.608646  0.444735  1
  Ni  Ni128  1  0.412891  0.252502  0.460602  1
  Ni  Ni129  1  0.558989  0.298075  0.428868  1
  Ni  Ni130  1  0.735922  0.275313  0.444735  1
  Ni  Ni131  1  0.392322  0.964742  0.428868  1
  Ni  Ni132  1  0.569256  0.941980  0.444735  1
  Ni  Ni133  1  0.579558  0.585835  0.460602  1
  Ni  Ni134  1  0.725656  0.631408  0.428868  1
  Ni  Ni135  1  0.902589  0.608646  0.444735  1
  Ni  Ni136  1  0.912891  0.252502  0.460602  1
  Ni  Ni137  1  0.058989  0.298075  0.428868  1
  Ni  Ni138  1  0.235922  0.275313  0.444735  1
  Ni  Ni139  1  0.746224  0.919168  0.460602  1
  Ni  Ni140  1  0.892322  0.964742  0.428868  1
  Ni  Ni141  1  0.069256  0.941980  0.444735  1
  Ni  Ni142  1  0.079558  0.585835  0.460602  1
  Ni  Ni143  1  0.225656  0.631408  0.428868  1
  Ni  Ni144  1  0.246224  0.919168  0.460602  1
  Ni  Ni145  1  0.385159  0.358491  0.502848  1
  Ni  Ni146  1  0.395454  1.002373  0.518712  1
  Ni  Ni147  1  0.541528  0.047950  0.486982  1
  Ni  Ni148  1  0.718492  0.025157  0.502848  1
  Ni  Ni149  1  0.374861  0.714616  0.486982  1
  Ni  Ni150  1  0.551825  0.691824  0.502848  1
  Ni  Ni151  1  0.562121  0.335707  0.518712  1
  Ni  Ni152  1  0.708195  0.381283  0.486982  1
  Ni  Ni153  1  0.885159  0.358491  0.502848  1
  Ni  Ni154  1  0.895454  1.002373  0.518712  1
  Ni  Ni155  1  0.041528  0.047950  0.486982  1
  Ni  Ni156  1  0.218492  0.025157  0.502848  1
  Ni  Ni157  1  0.728788  0.669040  0.518712  1
  Ni  Ni158  1  0.874861  0.714616  0.486982  1
  Ni  Ni159  1  0.051825  0.691824  0.502848  1
  Ni  Ni160  1  0.062121  0.335707  0.518712  1
  Ni  Ni161  1  0.208195  0.381283  0.486982  1
  Ni  Ni162  1  0.228788  0.669040  0.518712  1
  Ni  Ni163  1  0.433474  0.540272  0.492326  1
  Ni  Ni164  1  0.443771  0.184147  0.508191  1
  Ni  Ni165  1  0.589845  0.229723  0.476462  1
  Ni  Ni166  1  0.766807  0.206939  0.492326  1
  Ni  Ni167  1  0.423178  0.896390  0.476462  1
  Ni  Ni168  1  0.600141  0.873606  0.492326  1
  Ni  Ni169  1  0.610438  0.517480  0.508191  1
  Ni  Ni170  1  0.756512  0.563056  0.476462  1
  Ni  Ni171  1  0.933474  0.540272  0.492326  1
  Ni  Ni172  1  0.943771  0.184147  0.508191  1
  Ni  Ni173  1  0.089845  0.229723  0.476462  1
  Ni  Ni174  1  0.266807  0.206939  0.492326  1
  Ni  Ni175  1  0.777105  0.850813  0.508191  1
  Ni  Ni176  1  0.923178  0.896390  0.476462  1
  Ni  Ni177  1  0.100141  0.873606  0.492326  1
  Ni  Ni178  1  0.110438  0.517480  0.508191  1
  Ni  Ni179  1  0.256512  0.563056  0.476462  1
  Ni  Ni180  1  0.277105  0.850813  0.508191  1
  Ni  Ni181  1  0.416044  0.290117  0.550439  1
  Ni  Ni182  1  0.426310  0.934021  0.566306  1
  Ni  Ni183  1  0.572408  0.979595  0.534572  1
  Ni  Ni184  1  0.749377  0.956783  0.550439  1
  Ni  Ni185  1  0.405742  0.646261  0.534572  1
  Ni  Ni186  1  0.582710  0.623450  0.550439  1
  Ni  Ni187  1  0.592977  0.267355  0.566306  1
  Ni  Ni188  1  0.739075  0.312928  0.534572  1
  Ni  Ni189  1  0.916044  0.290117  0.550439  1
  Ni  Ni190  1  0.926310  0.934021  0.566306  1
  Ni  Ni191  1  0.072408  0.979595  0.534572  1
  Ni  Ni192  1  0.249377  0.956783  0.550439  1
  Ni  Ni193  1  0.759644  0.600688  0.566306  1
  Ni  Ni194  1  0.905742  0.646261  0.534572  1
  Ni  Ni195  1  0.082710  0.623450  0.550439  1
  Ni  Ni196  1  0.092977  0.267355  0.566306  1
  Ni  Ni197  1  0.239075  0.312928  0.534572  1
  Ni  Ni198  1  0.259644  0.600688  0.566306  1
  Ni  Ni199  1  0.464361  0.471901  0.539913  1
  Ni  Ni200  1  0.474658  0.115797  0.555790  1
  Ni  Ni201  1  0.620728  0.161369  0.524055  1
  Ni  Ni202  1  0.797694  0.138568  0.539913  1
  Ni  Ni203  1  0.454061  0.828036  0.524055  1
  Ni  Ni204  1  0.631028  0.805234  0.539913  1
  Ni  Ni205  1  0.641324  0.449131  0.555790  1
  Ni  Ni206  1  0.787395  0.494702  0.524055  1
  Ni  Ni207  1  0.964361  0.471901  0.539913  1
  Ni  Ni208  1  0.974658  0.115797  0.555790  1
  Ni  Ni209  1  0.120728  0.161369  0.524055  1
  Ni  Ni210  1  0.297694  0.138568  0.539913  1
  Ni  Ni211  1  0.807991  0.782464  0.555790  1
  Ni  Ni212  1  0.954061  0.828036  0.524055  1
  Ni  Ni213  1  0.131028  0.805234  0.539913  1
  Ni  Ni214  1  0.141324  0.449131  0.555790  1
  Ni  Ni215  1  0.287395  0.494702  0.524055  1
  Ni  Ni216  1  0.307991  0.782464  0.555790  1
  Ni  Ni217  1  0.446819  0.221721  0.598060  1
  Ni  Ni218  1  0.457256  0.865762  0.613854  1
  Ni  Ni219  1  0.603304  0.911237  0.582143  1
  Ni  Ni220  1  0.780152  0.888387  0.598060  1
  Ni  Ni221  1  0.436638  0.577904  0.582143  1
  Ni  Ni222  1  0.613486  0.555054  0.598060  1
  Ni  Ni223  1  0.623922  0.199095  0.613854  1
  Ni  Ni224  1  0.769971  0.244571  0.582143  1
  Ni  Ni225  1  0.946819  0.221721  0.598060  1
  Ni  Ni226  1  0.957256  0.865762  0.613854  1
  Ni  Ni227  1  0.103304  0.911237  0.582143  1
  Ni  Ni228  1  0.280152  0.888387  0.598060  1
  Ni  Ni229  1  0.790589  0.532428  0.613854  1
  Ni  Ni230  1  0.936638  0.577904  0.582143  1
  Ni  Ni231  1  0.113486  0.555054  0.598060  1
  Ni  Ni232  1  0.123922  0.199095  0.613854  1
  Ni  Ni233  1  0.269971  0.244571  0.582143  1
  Ni  Ni234  1  0.290589  0.532428  0.613854  1
  Ni  Ni235  1  0.495234  0.403473  0.587496  1
  Ni  Ni236  1  0.505654  0.047489  0.603382  1
  Ni  Ni237  1  0.651633  0.093010  0.571645  1
  Ni  Ni238  1  0.828568  0.070140  0.587496  1
  Ni  Ni239  1  0.484966  0.759677  0.571645  1
  Ni  Ni240  1  0.661901  0.736807  0.587496  1
  Ni  Ni241  1  0.672321  0.380822  0.603382  1
  Ni  Ni242  1  0.818300  0.426344  0.571645  1
  Ni  Ni243  1  0.995234  0.403473  0.587496  1
  Ni  Ni244  1  0.005654  0.047489  0.603382  1
  Ni  Ni245  1  0.151633  0.093010  0.571645  1
  Ni  Ni246  1  0.328568  0.070140  0.587496  1
  Ni  Ni247  1  0.838988  0.714156  0.603382  1
  Ni  Ni248  1  0.984966  0.759677  0.571645  1
  Ni  Ni249  1  0.161901  0.736807  0.587496  1
  Ni  Ni250  1  0.172321  0.380822  0.603382  1
  Ni  Ni251  1  0.318300  0.426344  0.571645  1
  Ni  Ni252  1  0.338988  0.714156  0.603382  1
  Ni  Ni253  1  0.478236  0.153639  0.645601  1
  Ni  Ni254  1  0.487056  0.797611  0.661334  1
  Ni  Ni255  1  0.633720  0.842466  0.629669  1
  Ni  Ni256  1  0.811569  0.820306  0.645601  1
  Ni  Ni257  1  0.467053  0.509132  0.629669  1
  Ni  Ni258  1  0.644902  0.486972  0.645601  1
  Ni  Ni259  1  0.653722  0.130945  0.661334  1
  Ni  Ni260  1  0.800386  0.175799  0.629669  1
  Ni  Ni261  1  0.978236  0.153639  0.645601  1
  Ni  Ni262  1  0.987056  0.797611  0.661334  1
  Ni  Ni263  1  0.133720  0.842466  0.629669  1
  Ni  Ni264  1  0.311569  0.820306  0.645601  1
  Ni  Ni265  1  0.820389  0.464278  0.661334  1
  Ni  Ni266  1  0.967053  0.509132  0.629669  1
  Ni  Ni267  1  0.144902  0.486972  0.645601  1
  Ni  Ni268  1  0.153722  0.130945  0.661334  1
  Ni  Ni269  1  0.300386  0.175799  0.629669  1
  Ni  Ni270  1  0.320389  0.464278  0.661334  1
  Ni  Ni271  1  0.526687  0.335136  0.635012  1
  Ni  Ni272  1  0.535890  0.979293  0.651149  1
  Ni  Ni273  1  0.682345  0.024488  0.619236  1
  Ni  Ni274  1  0.860021  1.001803  0.635012  1
  Ni  Ni275  1  0.515678  0.691154  0.619236  1
  Ni  Ni276  1  0.693354  0.668469  0.635012  1
  Ni  Ni277  1  0.702556  0.312626  0.651149  1
  Ni  Ni278  1  0.849011  0.357821  0.619236  1
  Ni  Ni279  1  0.026687  0.335136  0.635012  1
  Ni  Ni280  1  0.035890  0.979293  0.651149  1
  Ni  Ni281  1  0.182345  0.024488  0.619236  1
  Ni  Ni282  1  0.360021  1.001803  0.635012  1
  Ni  Ni283  1  0.869223  0.645959  0.651149  1
  Ni  Ni284  1  0.015678  0.691154  0.619236  1
  Ni  Ni285  1  0.193354  0.668469  0.635012  1
  Ni  Ni286  1  0.202556  0.312626  0.651149  1
  Ni  Ni287  1  0.349011  0.357821  0.619236  1
  Ni  Ni288  1  0.369223  0.645959  0.651149  1
  Ni  Ni289  1  0.508002  0.087832  0.694430  1
  Ni  Ni290  1  0.523855  0.724083  0.708650  1
  Ni  Ni291  1  0.666262  0.775593  0.677172  1
  Ni  Ni292  1  0.841335  0.754499  0.694430  1
  Ni  Ni293  1  0.499596  0.442259  0.677172  1
  Ni  Ni294  1  0.674668  0.421165  0.694430  1
  Ni  Ni295  1  0.690522  0.057417  0.708650  1
  Ni  Ni296  1  0.832929  0.108926  0.677172  1
  Ni  Ni297  1  0.008002  0.087832  0.694430  1
  Ni  Ni298  1  0.023855  0.724083  0.708650  1
  Ni  Ni299  1  0.166262  0.775593  0.677172  1
  Ni  Ni300  1  0.341335  0.754499  0.694430  1
  Ni  Ni301  1  0.857189  0.390750  0.708650  1
  Ni  Ni302  1  0.999596  0.442259  0.677172  1
  Ni  Ni303  1  0.174668  0.421165  0.694430  1
  Ni  Ni304  1  0.190522  0.057417  0.708650  1
  Ni  Ni305  1  0.332929  0.108926  0.677172  1
  Ni  Ni306  1  0.357189  0.390750  0.708650  1
  Ni  Ni307  1  0.555364  0.268440  0.684018  1
  Ni  Ni308  1  0.568196  0.909260  0.698752  1
  Ni  Ni309  1  0.713822  0.955914  0.666304  1
  Ni  Ni310  1  0.888697  0.935107  0.684018  1
  Ni  Ni311  1  0.547155  0.622580  0.666304  1
  Ni  Ni312  1  0.722031  0.601774  0.684018  1
  Ni  Ni313  1  0.734863  0.242593  0.698752  1
  Ni  Ni314  1  0.880488  0.289247  0.666304  1
  Ni  Ni315  1  0.055364  0.268440  0.684018  1
  Ni  Ni316  1  0.068196  0.909260  0.698752  1
  Ni  Ni317  1  0.213822  0.955914  0.666304  1
  Ni  Ni318  1  0.388697  0.935107  0.684018  1
  Ni  Ni319  1  0.901530  0.575927  0.698752  1
  Ni  Ni320  1  0.047155  0.622580  0.666304  1
  Ni  Ni321  1  0.222031  0.601774  0.684018  1
  Ni  Ni322  1  0.234863  0.242593  0.698752  1
  Ni  Ni323  1  0.380488  0.289247  0.666304  1
  Ni  Ni324  1  0.401530  0.575927  0.698752  1
