# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06587923
_cell_length_b   13.20503812
_cell_length_c   47.77523632
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.05145640
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8222.32204464
_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  0.264271  0.636978  0.311743  1
  Ni  Ni2  1  0.272621  0.282015  0.328967  1
  Ni  Ni3  1  0.418669  0.327953  0.297108  1
  Ni  Ni4  1  0.597604  0.303645  0.311743  1
  Ni  Ni5  1  0.252002  0.994620  0.297108  1
  Ni  Ni6  1  0.430937  0.970312  0.311743  1
  Ni  Ni7  1  0.439287  0.615349  0.328967  1
  Ni  Ni8  1  0.585336  0.661287  0.297108  1
  Ni  Ni9  1  0.764271  0.636978  0.311743  1
  Ni  Ni10  1  0.772621  0.282015  0.328967  1
  Ni  Ni11  1  0.918669  0.327953  0.297108  1
  Ni  Ni12  1  0.097604  0.303645  0.311743  1
  Ni  Ni13  1  0.605954  0.948682  0.328967  1
  Ni  Ni14  1  0.752002  0.994620  0.297108  1
  Ni  Ni15  1  0.930937  0.970312  0.311743  1
  Ni  Ni16  1  0.939287  0.615349  0.328967  1
  Ni  Ni17  1  0.085336  0.661287  0.297108  1
  Ni  Ni18  1  0.105954  0.948682  0.328967  1
  Ni  Ni19  1  0.311434  0.818202  0.301914  1
  Ni  Ni20  1  0.320495  0.462636  0.318136  1
  Ni  Ni21  1  0.465437  0.511330  0.287695  1
  Ni  Ni22  1  0.644768  0.484869  0.301914  1
  Ni  Ni23  1  0.298770  0.177996  0.287695  1
  Ni  Ni24  1  0.478101  0.151535  0.301914  1
  Ni  Ni25  1  0.487162  0.795969  0.318136  1
  Ni  Ni26  1  0.632103  0.844663  0.287695  1
  Ni  Ni27  1  0.811434  0.818202  0.301914  1
  Ni  Ni28  1  0.820495  0.462636  0.318136  1
  Ni  Ni29  1  0.965437  0.511330  0.287695  1
  Ni  Ni30  1  0.144768  0.484869  0.301914  1
  Ni  Ni31  1  0.653829  0.129302  0.318136  1
  Ni  Ni32  1  0.798770  0.177996  0.287695  1
  Ni  Ni33  1  0.978101  0.151535  0.301914  1
  Ni  Ni34  1  0.987162  0.795969  0.318136  1
  Ni  Ni35  1  0.132103  0.844663  0.287695  1
  Ni  Ni36  1  0.153829  0.129302  0.318136  1
  Ni  Ni37  1  0.292952  0.569915  0.360308  1
  Ni  Ni38  1  0.303925  0.214195  0.376200  1
  Ni  Ni39  1  0.450363  0.258800  0.344346  1
  Ni  Ni40  1  0.626285  0.236582  0.360308  1
  Ni  Ni41  1  0.283697  0.925467  0.344346  1
  Ni  Ni42  1  0.459618  0.903248  0.360308  1
  Ni  Ni43  1  0.470592  0.547529  0.376200  1
  Ni  Ni44  1  0.617030  0.592134  0.344346  1
  Ni  Ni45  1  0.792952  0.569915  0.360308  1
  Ni  Ni46  1  0.803925  0.214195  0.376200  1
  Ni  Ni47  1  0.950363  0.258800  0.344346  1
  Ni  Ni48  1  0.126285  0.236582  0.360308  1
  Ni  Ni49  1  0.637259  0.880862  0.376200  1
  Ni  Ni50  1  0.783697  0.925467  0.344346  1
  Ni  Ni51  1  0.959618  0.903248  0.360308  1
  Ni  Ni52  1  0.970592  0.547529  0.376200  1
  Ni  Ni53  1  0.117030  0.592134  0.344346  1
  Ni  Ni54  1  0.137259  0.880862  0.376200  1
  Ni  Ni55  1  0.341599  0.751076  0.349827  1
  Ni  Ni56  1  0.352491  0.395876  0.365731  1
  Ni  Ni57  1  0.499344  0.440005  0.334291  1
  Ni  Ni58  1  0.674932  0.417743  0.349827  1
  Ni  Ni59  1  0.332678  0.106672  0.334291  1
  Ni  Ni60  1  0.508266  0.084410  0.349827  1
  Ni  Ni61  1  0.519157  0.729210  0.365731  1
  Ni  Ni62  1  0.666011  0.773338  0.334291  1
  Ni  Ni63  1  0.841599  0.751076  0.349827  1
  Ni  Ni64  1  0.852491  0.395876  0.365731  1
  Ni  Ni65  1  0.999344  0.440005  0.334291  1
  Ni  Ni66  1  0.174932  0.417743  0.349827  1
  Ni  Ni67  1  0.685824  0.062543  0.365731  1
  Ni  Ni68  1  0.832678  0.106672  0.334291  1
  Ni  Ni69  1  0.008266  0.084410  0.349827  1
  Ni  Ni70  1  0.019157  0.729210  0.365731  1
  Ni  Ni71  1  0.166011  0.773338  0.334291  1
  Ni  Ni72  1  0.185824  0.062543  0.365731  1
  Ni  Ni73  1  0.324449  0.502452  0.407956  1
  Ni  Ni74  1  0.334724  0.146575  0.423862  1
  Ni  Ni75  1  0.480708  0.191404  0.392066  1
  Ni  Ni76  1  0.657783  0.169118  0.407956  1
  Ni  Ni77  1  0.314041  0.858070  0.392066  1
  Ni  Ni78  1  0.491116  0.835785  0.407956  1
  Ni  Ni79  1  0.501391  0.479909  0.423862  1
  Ni  Ni80  1  0.647374  0.524737  0.392066  1
  Ni  Ni81  1  0.824449  0.502452  0.407956  1
  Ni  Ni82  1  0.834724  0.146575  0.423862  1
  Ni  Ni83  1  0.980708  0.191404  0.392066  1
  Ni  Ni84  1  0.157783  0.169118  0.407956  1
  Ni  Ni85  1  0.668058  0.813242  0.423862  1
  Ni  Ni86  1  0.814041  0.858070  0.392066  1
  Ni  Ni87  1  0.991116  0.835785  0.407956  1
  Ni  Ni88  1  1.001391  0.479909  0.423862  1
  Ni  Ni89  1  0.147374  0.524737  0.392066  1
  Ni  Ni90  1  0.168058  0.813242  0.423862  1
  Ni  Ni91  1  0.372700  0.683893  0.397435  1
  Ni  Ni92  1  0.382829  0.328073  0.413385  1
  Ni  Ni93  1  0.528974  0.372857  0.381686  1
  Ni  Ni94  1  0.706033  0.350559  0.397435  1
  Ni  Ni95  1  0.362307  0.039524  0.381686  1
  Ni  Ni96  1  0.539367  0.017226  0.397435  1
  Ni  Ni97  1  0.549495  0.661406  0.413385  1
  Ni  Ni98  1  0.695640  0.706190  0.381686  1
  Ni  Ni99  1  0.872700  0.683893  0.397435  1
  Ni  Ni100  1  0.882829  0.328073  0.413385  1
  Ni  Ni101  1  0.028974  0.372857  0.381686  1
  Ni  Ni102  1  0.206033  0.350559  0.397435  1
  Ni  Ni103  1  0.716162  0.994739  0.413385  1
  Ni  Ni104  1  0.862307  0.039524  0.381686  1
  Ni  Ni105  1  0.039367  0.017226  0.397435  1
  Ni  Ni106  1  0.049495  0.661406  0.413385  1
  Ni  Ni107  1  0.195640  0.706190  0.381686  1
  Ni  Ni108  1  0.216162  0.994739  0.413385  1
  Ni  Ni109  1  0.355351  0.434962  0.455629  1
  Ni  Ni110  1  0.365668  0.079128  0.471514  1
  Ni  Ni111  1  0.511724  0.124059  0.439726  1
  Ni  Ni112  1  0.688684  0.101628  0.455629  1
  Ni  Ni113  1  0.345058  0.790726  0.439726  1
  Ni  Ni114  1  0.522018  0.768295  0.455629  1
  Ni  Ni115  1  0.532334  0.412461  0.471514  1
  Ni  Ni116  1  0.678391  0.457392  0.439726  1
  Ni  Ni117  1  0.855351  0.434962  0.455629  1
  Ni  Ni118  1  0.865668  0.079128  0.471514  1
  Ni  Ni119  1  0.011724  0.124059  0.439726  1
  Ni  Ni120  1  0.188684  0.101628  0.455629  1
  Ni  Ni121  1  0.699001  0.745795  0.471514  1
  Ni  Ni122  1  0.845058  0.790726  0.439726  1
  Ni  Ni123  1  0.022018  0.768295  0.455629  1
  Ni  Ni124  1  0.032334  0.412461  0.471514  1
  Ni  Ni125  1  0.178391  0.457392  0.439726  1
  Ni  Ni126  1  0.199001  0.745795  0.471514  1
  Ni  Ni127  1  0.403423  0.616463  0.445132  1
  Ni  Ni128  1  0.413730  0.260631  0.461027  1
  Ni  Ni129  1  0.559832  0.305549  0.429257  1
  Ni  Ni130  1  0.736757  0.283130  0.445132  1
  Ni  Ni131  1  0.393165  0.972215  0.429257  1
  Ni  Ni132  1  0.570090  0.949796  0.445132  1
  Ni  Ni133  1  0.580397  0.593965  0.461027  1
  Ni  Ni134  1  0.726499  0.638882  0.429257  1
  Ni  Ni135  1  0.903423  0.616463  0.445132  1
  Ni  Ni136  1  0.913730  0.260631  0.461027  1
  Ni  Ni137  1  0.059832  0.305549  0.429257  1
  Ni  Ni138  1  0.236757  0.283130  0.445132  1
  Ni  Ni139  1  0.747064  0.927298  0.461027  1
  Ni  Ni140  1  0.893165  0.972215  0.429257  1
  Ni  Ni141  1  0.070090  0.949796  0.445132  1
  Ni  Ni142  1  0.080397  0.593965  0.461027  1
  Ni  Ni143  1  0.226499  0.638882  0.429257  1
  Ni  Ni144  1  0.247064  0.927298  0.461027  1
  Ni  Ni145  1  0.386269  0.367515  0.503289  1
  Ni  Ni146  1  0.396575  0.011715  0.519173  1
  Ni  Ni147  1  0.542632  0.056659  0.487397  1
  Ni  Ni148  1  0.719602  0.034182  0.503289  1
  Ni  Ni149  1  0.375965  0.723326  0.487397  1
  Ni  Ni150  1  0.552936  0.700848  0.503289  1
  Ni  Ni151  1  0.563242  0.345048  0.519173  1
  Ni  Ni152  1  0.709298  0.389993  0.487397  1
  Ni  Ni153  1  0.886269  0.367515  0.503289  1
  Ni  Ni154  1  0.896575  0.011715  0.519173  1
  Ni  Ni155  1  0.042632  0.056659  0.487397  1
  Ni  Ni156  1  0.219602  0.034182  0.503289  1
  Ni  Ni157  1  0.729908  0.678381  0.519173  1
  Ni  Ni158  1  0.875965  0.723326  0.487397  1
  Ni  Ni159  1  0.052936  0.700848  0.503289  1
  Ni  Ni160  1  0.063242  0.345048  0.519173  1
  Ni  Ni161  1  0.209298  0.389993  0.487397  1
  Ni  Ni162  1  0.229908  0.678381  0.519173  1
  Ni  Ni163  1  0.434329  0.549022  0.492795  1
  Ni  Ni164  1  0.444633  0.193211  0.508686  1
  Ni  Ni165  1  0.590689  0.238156  0.476910  1
  Ni  Ni166  1  0.767662  0.215689  0.492795  1
  Ni  Ni167  1  0.424023  0.904822  0.476910  1
  Ni  Ni168  1  0.600995  0.882355  0.492795  1
  Ni  Ni169  1  0.611299  0.526544  0.508686  1
  Ni  Ni170  1  0.757356  0.571489  0.476910  1
  Ni  Ni171  1  0.934329  0.549022  0.492795  1
  Ni  Ni172  1  0.944633  0.193211  0.508686  1
  Ni  Ni173  1  0.090689  0.238156  0.476910  1
  Ni  Ni174  1  0.267662  0.215689  0.492795  1
  Ni  Ni175  1  0.777966  0.859877  0.508686  1
  Ni  Ni176  1  0.924023  0.904822  0.476910  1
  Ni  Ni177  1  0.100995  0.882355  0.492795  1
  Ni  Ni178  1  0.111299  0.526544  0.508686  1
  Ni  Ni179  1  0.257356  0.571489  0.476910  1
  Ni  Ni180  1  0.277966  0.859877  0.508686  1
  Ni  Ni181  1  0.417174  0.300074  0.550951  1
  Ni  Ni182  1  0.427432  0.944322  0.566826  1
  Ni  Ni183  1  0.573534  0.989239  0.535056  1
  Ni  Ni184  1  0.750508  0.966741  0.550951  1
  Ni  Ni185  1  0.406868  0.655905  0.535056  1
  Ni  Ni186  1  0.583841  0.633407  0.550951  1
  Ni  Ni187  1  0.594099  0.277655  0.566826  1
  Ni  Ni188  1  0.740201  0.322572  0.535056  1
  Ni  Ni189  1  0.917174  0.300074  0.550951  1
  Ni  Ni190  1  0.927432  0.944322  0.566826  1
  Ni  Ni191  1  0.073534  0.989239  0.535056  1
  Ni  Ni192  1  0.250508  0.966741  0.550951  1
  Ni  Ni193  1  0.760766  0.610988  0.566826  1
  Ni  Ni194  1  0.906868  0.655905  0.535056  1
  Ni  Ni195  1  0.083841  0.633407  0.550951  1
  Ni  Ni196  1  0.094099  0.277655  0.566826  1
  Ni  Ni197  1  0.240201  0.322572  0.535056  1
  Ni  Ni198  1  0.260766  0.610988  0.566826  1
  Ni  Ni199  1  0.465247  0.481575  0.540455  1
  Ni  Ni200  1  0.475540  0.125811  0.556358  1
  Ni  Ni201  1  0.621597  0.170742  0.524570  1
  Ni  Ni202  1  0.798580  0.148242  0.540455  1
  Ni  Ni203  1  0.454930  0.837409  0.524570  1
  Ni  Ni204  1  0.631913  0.814908  0.540455  1
  Ni  Ni205  1  0.642207  0.459144  0.556358  1
  Ni  Ni206  1  0.788264  0.504076  0.524570  1
  Ni  Ni207  1  0.965247  0.481575  0.540455  1
  Ni  Ni208  1  0.975540  0.125811  0.556358  1
  Ni  Ni209  1  0.121597  0.170742  0.524570  1
  Ni  Ni210  1  0.298580  0.148242  0.540455  1
  Ni  Ni211  1  0.808874  0.792478  0.556358  1
  Ni  Ni212  1  0.954930  0.837409  0.524570  1
  Ni  Ni213  1  0.131913  0.814908  0.540455  1
  Ni  Ni214  1  0.142207  0.459144  0.556358  1
  Ni  Ni215  1  0.288264  0.504076  0.524570  1
  Ni  Ni216  1  0.308874  0.792478  0.556358  1
  Ni  Ni217  1  0.447898  0.232644  0.598649  1
  Ni  Ni218  1  0.458291  0.877013  0.614397  1
  Ni  Ni219  1  0.604436  0.921798  0.582698  1
  Ni  Ni220  1  0.781231  0.899311  0.598649  1
  Ni  Ni221  1  0.437769  0.588464  0.582698  1
  Ni  Ni222  1  0.614564  0.565977  0.598649  1
  Ni  Ni223  1  0.624958  0.210347  0.614397  1
  Ni  Ni224  1  0.771102  0.255131  0.582698  1
  Ni  Ni225  1  0.947898  0.232644  0.598649  1
  Ni  Ni226  1  0.958291  0.877013  0.614397  1
  Ni  Ni227  1  0.104436  0.921798  0.582698  1
  Ni  Ni228  1  0.281231  0.899311  0.598649  1
  Ni  Ni229  1  0.791624  0.543680  0.614397  1
  Ni  Ni230  1  0.937769  0.588464  0.582698  1
  Ni  Ni231  1  0.114564  0.565977  0.598649  1
  Ni  Ni232  1  0.124958  0.210347  0.614397  1
  Ni  Ni233  1  0.271102  0.255131  0.582698  1
  Ni  Ni234  1  0.291624  0.543680  0.614397  1
  Ni  Ni235  1  0.496148  0.414085  0.588128  1
  Ni  Ni236  1  0.506557  0.058467  0.604018  1
  Ni  Ni237  1  0.652540  0.103295  0.572222  1
  Ni  Ni238  1  0.829482  0.080752  0.588128  1
  Ni  Ni239  1  0.485873  0.769962  0.572222  1
  Ni  Ni240  1  0.662815  0.747419  0.588128  1
  Ni  Ni241  1  0.673223  0.391800  0.604018  1
  Ni  Ni242  1  0.819207  0.436628  0.572222  1
  Ni  Ni243  1  0.996148  0.414085  0.588128  1
  Ni  Ni244  1  0.006557  0.058467  0.604018  1
  Ni  Ni245  1  0.152540  0.103295  0.572222  1
  Ni  Ni246  1  0.329482  0.080752  0.588128  1
  Ni  Ni247  1  0.839890  0.725133  0.604018  1
  Ni  Ni248  1  0.985873  0.769962  0.572222  1
  Ni  Ni249  1  0.162815  0.747419  0.588128  1
  Ni  Ni250  1  0.173223  0.391800  0.604018  1
  Ni  Ni251  1  0.319207  0.436628  0.572222  1
  Ni  Ni252  1  0.339890  0.725133  0.604018  1
  Ni  Ni253  1  0.478999  0.165461  0.646257  1
  Ni  Ni254  1  0.487920  0.809865  0.661792  1
  Ni  Ni255  1  0.634774  0.853994  0.630352  1
  Ni  Ni256  1  0.812332  0.832127  0.646257  1
  Ni  Ni257  1  0.468107  0.520660  0.630352  1
  Ni  Ni258  1  0.645665  0.498794  0.646257  1
  Ni  Ni259  1  0.654587  0.143198  0.661792  1
  Ni  Ni260  1  0.801441  0.187327  0.630352  1
  Ni  Ni261  1  0.978999  0.165461  0.646257  1
  Ni  Ni262  1  0.987920  0.809865  0.661792  1
  Ni  Ni263  1  0.134774  0.853994  0.630352  1
  Ni  Ni264  1  0.312332  0.832127  0.646257  1
  Ni  Ni265  1  0.821253  0.476532  0.661792  1
  Ni  Ni266  1  0.968107  0.520660  0.630352  1
  Ni  Ni267  1  0.145665  0.498794  0.646257  1
  Ni  Ni268  1  0.154587  0.143198  0.661792  1
  Ni  Ni269  1  0.301441  0.187327  0.630352  1
  Ni  Ni270  1  0.321253  0.476532  0.661792  1
  Ni  Ni271  1  0.527646  0.346622  0.635776  1
  Ni  Ni272  1  0.536901  0.991070  0.651738  1
  Ni  Ni273  1  0.683339  0.035675  0.619884  1
  Ni  Ni274  1  0.860979  0.013288  0.635776  1
  Ni  Ni275  1  0.516672  0.702341  0.619884  1
  Ni  Ni276  1  0.694313  0.679955  0.635776  1
  Ni  Ni277  1  0.703568  0.324403  0.651738  1
  Ni  Ni278  1  0.850006  0.369008  0.619884  1
  Ni  Ni279  1  0.027646  0.346622  0.635776  1
  Ni  Ni280  1  0.036901  0.991070  0.651738  1
  Ni  Ni281  1  0.183339  0.035675  0.619884  1
  Ni  Ni282  1  0.360979  0.013288  0.635776  1
  Ni  Ni283  1  0.870234  0.657736  0.651738  1
  Ni  Ni284  1  0.016672  0.702341  0.619884  1
  Ni  Ni285  1  0.194313  0.679955  0.635776  1
  Ni  Ni286  1  0.203568  0.324403  0.651738  1
  Ni  Ni287  1  0.350006  0.369008  0.619884  1
  Ni  Ni288  1  0.370234  0.657736  0.651738  1
  Ni  Ni289  1  0.509163  0.098335  0.694169  1
  Ni  Ni290  1  0.521828  0.738541  0.708389  1
  Ni  Ni291  1  0.666769  0.787235  0.677948  1
  Ni  Ni292  1  0.842497  0.765001  0.694169  1
  Ni  Ni293  1  0.500102  0.453901  0.677948  1
  Ni  Ni294  1  0.675830  0.431668  0.694169  1
  Ni  Ni295  1  0.688494  0.071874  0.708389  1
  Ni  Ni296  1  0.833436  0.120568  0.677948  1
  Ni  Ni297  1  0.009163  0.098335  0.694169  1
  Ni  Ni298  1  0.021828  0.738541  0.708389  1
  Ni  Ni299  1  0.166769  0.787235  0.677948  1
  Ni  Ni300  1  0.342497  0.765001  0.694169  1
  Ni  Ni301  1  0.855161  0.405207  0.708389  1
  Ni  Ni302  1  1.000102  0.453901  0.677948  1
  Ni  Ni303  1  0.175830  0.431668  0.694169  1
  Ni  Ni304  1  0.188494  0.071874  0.708389  1
  Ni  Ni305  1  0.333436  0.120568  0.677948  1
  Ni  Ni306  1  0.355161  0.405207  0.708389  1
  Ni  Ni307  1  0.556327  0.279559  0.684341  1
  Ni  Ni308  1  0.568595  0.921917  0.698976  1
  Ni  Ni309  1  0.714644  0.967855  0.667117  1
  Ni  Ni310  1  0.889660  0.946225  0.684341  1
  Ni  Ni311  1  0.547977  0.634522  0.667117  1
  Ni  Ni312  1  0.722994  0.612892  0.684341  1
  Ni  Ni313  1  0.735262  0.255250  0.698976  1
  Ni  Ni314  1  0.881310  0.301188  0.667117  1
  Ni  Ni315  1  0.056327  0.279559  0.684341  1
  Ni  Ni316  1  0.068595  0.921917  0.698976  1
  Ni  Ni317  1  0.214644  0.967855  0.667117  1
  Ni  Ni318  1  0.389660  0.946225  0.684341  1
  Ni  Ni319  1  0.901929  0.588583  0.698976  1
  Ni  Ni320  1  0.047977  0.634522  0.667117  1
  Ni  Ni321  1  0.222994  0.612892  0.684341  1
  Ni  Ni322  1  0.235262  0.255250  0.698976  1
  Ni  Ni323  1  0.381310  0.301188  0.667117  1
  Ni  Ni324  1  0.401929  0.588583  0.698976  1
