# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06603777
_cell_length_b   13.20531707
_cell_length_c   47.77520501
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.05145641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8222.59011906
_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  0.636974  0.311746  1
  Ni  Ni2  1  0.272614  0.282009  0.328969  1
  Ni  Ni3  1  0.418662  0.327946  0.297111  1
  Ni  Ni4  1  0.597597  0.303640  0.311746  1
  Ni  Ni5  1  0.251996  0.994613  0.297111  1
  Ni  Ni6  1  0.430930  0.970307  0.311746  1
  Ni  Ni7  1  0.439280  0.615343  0.328969  1
  Ni  Ni8  1  0.585329  0.661280  0.297111  1
  Ni  Ni9  1  0.764263  0.636974  0.311746  1
  Ni  Ni10  1  0.772614  0.282009  0.328969  1
  Ni  Ni11  1  0.918662  0.327946  0.297111  1
  Ni  Ni12  1  0.097597  0.303640  0.311746  1
  Ni  Ni13  1  0.605947  0.948676  0.328969  1
  Ni  Ni14  1  0.751996  0.994613  0.297111  1
  Ni  Ni15  1  0.930930  0.970307  0.311746  1
  Ni  Ni16  1  0.939280  0.615343  0.328969  1
  Ni  Ni17  1  0.085329  0.661280  0.297111  1
  Ni  Ni18  1  0.105947  0.948676  0.328969  1
  Ni  Ni19  1  0.311431  0.818197  0.301918  1
  Ni  Ni20  1  0.320491  0.462630  0.318138  1
  Ni  Ni21  1  0.465436  0.511319  0.287698  1
  Ni  Ni22  1  0.644764  0.484864  0.301918  1
  Ni  Ni23  1  0.298770  0.177986  0.287698  1
  Ni  Ni24  1  0.478098  0.151531  0.301918  1
  Ni  Ni25  1  0.487158  0.795964  0.318138  1
  Ni  Ni26  1  0.632103  0.844653  0.287698  1
  Ni  Ni27  1  0.811431  0.818197  0.301918  1
  Ni  Ni28  1  0.820491  0.462630  0.318138  1
  Ni  Ni29  1  0.965436  0.511319  0.287698  1
  Ni  Ni30  1  0.144764  0.484864  0.301918  1
  Ni  Ni31  1  0.653825  0.129297  0.318138  1
  Ni  Ni32  1  0.798770  0.177986  0.287698  1
  Ni  Ni33  1  0.978098  0.151531  0.301918  1
  Ni  Ni34  1  0.987158  0.795964  0.318138  1
  Ni  Ni35  1  0.132103  0.844653  0.287698  1
  Ni  Ni36  1  0.153825  0.129297  0.318138  1
  Ni  Ni37  1  0.292945  0.569908  0.360310  1
  Ni  Ni38  1  0.303918  0.214188  0.376202  1
  Ni  Ni39  1  0.450356  0.258794  0.344349  1
  Ni  Ni40  1  0.626278  0.236575  0.360310  1
  Ni  Ni41  1  0.283689  0.925460  0.344349  1
  Ni  Ni42  1  0.459612  0.903241  0.360310  1
  Ni  Ni43  1  0.470585  0.547521  0.376202  1
  Ni  Ni44  1  0.617023  0.592127  0.344349  1
  Ni  Ni45  1  0.792945  0.569908  0.360310  1
  Ni  Ni46  1  0.803918  0.214188  0.376202  1
  Ni  Ni47  1  0.950356  0.258794  0.344349  1
  Ni  Ni48  1  0.126278  0.236575  0.360310  1
  Ni  Ni49  1  0.637252  0.880855  0.376202  1
  Ni  Ni50  1  0.783689  0.925460  0.344349  1
  Ni  Ni51  1  0.959612  0.903241  0.360310  1
  Ni  Ni52  1  0.970585  0.547521  0.376202  1
  Ni  Ni53  1  0.117023  0.592127  0.344349  1
  Ni  Ni54  1  0.137252  0.880855  0.376202  1
  Ni  Ni55  1  0.341594  0.751070  0.349829  1
  Ni  Ni56  1  0.352485  0.395869  0.365733  1
  Ni  Ni57  1  0.499339  0.439999  0.334294  1
  Ni  Ni58  1  0.674928  0.417737  0.349829  1
  Ni  Ni59  1  0.332673  0.106665  0.334294  1
  Ni  Ni60  1  0.508261  0.084403  0.349829  1
  Ni  Ni61  1  0.519152  0.729203  0.365733  1
  Ni  Ni62  1  0.666006  0.773332  0.334294  1
  Ni  Ni63  1  0.841594  0.751070  0.349829  1
  Ni  Ni64  1  0.852485  0.395869  0.365733  1
  Ni  Ni65  1  0.999339  0.439999  0.334294  1
  Ni  Ni66  1  0.174928  0.417737  0.349829  1
  Ni  Ni67  1  0.685818  0.062536  0.365733  1
  Ni  Ni68  1  0.832673  0.106665  0.334294  1
  Ni  Ni69  1  0.008261  0.084403  0.349829  1
  Ni  Ni70  1  0.019152  0.729203  0.365733  1
  Ni  Ni71  1  0.166006  0.773332  0.334294  1
  Ni  Ni72  1  0.185818  0.062536  0.365733  1
  Ni  Ni73  1  0.324442  0.502443  0.407957  1
  Ni  Ni74  1  0.334717  0.146567  0.423863  1
  Ni  Ni75  1  0.480701  0.191396  0.392068  1
  Ni  Ni76  1  0.657775  0.169110  0.407957  1
  Ni  Ni77  1  0.314034  0.858062  0.392068  1
  Ni  Ni78  1  0.491109  0.835776  0.407957  1
  Ni  Ni79  1  0.501384  0.479900  0.423863  1
  Ni  Ni80  1  0.647367  0.524729  0.392068  1
  Ni  Ni81  1  0.824442  0.502443  0.407957  1
  Ni  Ni82  1  0.834717  0.146567  0.423863  1
  Ni  Ni83  1  0.980701  0.191396  0.392068  1
  Ni  Ni84  1  0.157775  0.169110  0.407957  1
  Ni  Ni85  1  0.668050  0.813233  0.423863  1
  Ni  Ni86  1  0.814034  0.858062  0.392068  1
  Ni  Ni87  1  0.991109  0.835776  0.407957  1
  Ni  Ni88  1  1.001384  0.479900  0.423863  1
  Ni  Ni89  1  0.147367  0.524729  0.392068  1
  Ni  Ni90  1  0.168050  0.813233  0.423863  1
  Ni  Ni91  1  0.372694  0.683885  0.397436  1
  Ni  Ni92  1  0.382823  0.328064  0.413387  1
  Ni  Ni93  1  0.528968  0.372849  0.381688  1
  Ni  Ni94  1  0.706028  0.350552  0.397436  1
  Ni  Ni95  1  0.362302  0.039516  0.381688  1
  Ni  Ni96  1  0.539361  0.017218  0.397436  1
  Ni  Ni97  1  0.549490  0.661398  0.413387  1
  Ni  Ni98  1  0.695635  0.706183  0.381688  1
  Ni  Ni99  1  0.872694  0.683885  0.397436  1
  Ni  Ni100  1  0.882823  0.328064  0.413387  1
  Ni  Ni101  1  0.028968  0.372849  0.381688  1
  Ni  Ni102  1  0.206028  0.350552  0.397436  1
  Ni  Ni103  1  0.716156  0.994731  0.413387  1
  Ni  Ni104  1  0.862302  0.039516  0.381688  1
  Ni  Ni105  1  0.039361  0.017218  0.397436  1
  Ni  Ni106  1  0.049490  0.661398  0.413387  1
  Ni  Ni107  1  0.195635  0.706183  0.381688  1
  Ni  Ni108  1  0.216156  0.994731  0.413387  1
  Ni  Ni109  1  0.355343  0.434952  0.455630  1
  Ni  Ni110  1  0.365660  0.079118  0.471515  1
  Ni  Ni111  1  0.511717  0.124050  0.439727  1
  Ni  Ni112  1  0.688677  0.101619  0.455630  1
  Ni  Ni113  1  0.345050  0.790716  0.439727  1
  Ni  Ni114  1  0.522010  0.768285  0.455630  1
  Ni  Ni115  1  0.532327  0.412451  0.471515  1
  Ni  Ni116  1  0.678384  0.457383  0.439727  1
  Ni  Ni117  1  0.855343  0.434952  0.455630  1
  Ni  Ni118  1  0.865660  0.079118  0.471515  1
  Ni  Ni119  1  0.011717  0.124050  0.439727  1
  Ni  Ni120  1  0.188677  0.101619  0.455630  1
  Ni  Ni121  1  0.698993  0.745785  0.471515  1
  Ni  Ni122  1  0.845050  0.790716  0.439727  1
  Ni  Ni123  1  0.022010  0.768285  0.455630  1
  Ni  Ni124  1  0.032327  0.412451  0.471515  1
  Ni  Ni125  1  0.178384  0.457383  0.439727  1
  Ni  Ni126  1  0.198993  0.745785  0.471515  1
  Ni  Ni127  1  0.403418  0.616454  0.445133  1
  Ni  Ni128  1  0.413724  0.260622  0.461028  1
  Ni  Ni129  1  0.559826  0.305540  0.429259  1
  Ni  Ni130  1  0.736751  0.283121  0.445133  1
  Ni  Ni131  1  0.393160  0.972207  0.429259  1
  Ni  Ni132  1  0.570084  0.949787  0.445133  1
  Ni  Ni133  1  0.580391  0.593955  0.461028  1
  Ni  Ni134  1  0.726493  0.638873  0.429259  1
  Ni  Ni135  1  0.903418  0.616454  0.445133  1
  Ni  Ni136  1  0.913724  0.260622  0.461028  1
  Ni  Ni137  1  0.059826  0.305540  0.429259  1
  Ni  Ni138  1  0.236751  0.283121  0.445133  1
  Ni  Ni139  1  0.747058  0.927289  0.461028  1
  Ni  Ni140  1  0.893160  0.972207  0.429259  1
  Ni  Ni141  1  0.070084  0.949787  0.445133  1
  Ni  Ni142  1  0.080391  0.593955  0.461028  1
  Ni  Ni143  1  0.226493  0.638873  0.429259  1
  Ni  Ni144  1  0.247058  0.927289  0.461028  1
  Ni  Ni145  1  0.386261  0.367504  0.503289  1
  Ni  Ni146  1  0.396567  0.011703  0.519174  1
  Ni  Ni147  1  0.542624  0.056649  0.487398  1
  Ni  Ni148  1  0.719595  0.034171  0.503289  1
  Ni  Ni149  1  0.375957  0.723316  0.487398  1
  Ni  Ni150  1  0.552928  0.700837  0.503289  1
  Ni  Ni151  1  0.563234  0.345037  0.519174  1
  Ni  Ni152  1  0.709291  0.389982  0.487398  1
  Ni  Ni153  1  0.886261  0.367504  0.503289  1
  Ni  Ni154  1  0.896567  0.011703  0.519174  1
  Ni  Ni155  1  0.042624  0.056649  0.487398  1
  Ni  Ni156  1  0.219595  0.034171  0.503289  1
  Ni  Ni157  1  0.729901  0.678370  0.519174  1
  Ni  Ni158  1  0.875957  0.723316  0.487398  1
  Ni  Ni159  1  0.052928  0.700837  0.503289  1
  Ni  Ni160  1  0.063234  0.345037  0.519174  1
  Ni  Ni161  1  0.209291  0.389982  0.487398  1
  Ni  Ni162  1  0.229901  0.678370  0.519174  1
  Ni  Ni163  1  0.434323  0.549012  0.492795  1
  Ni  Ni164  1  0.444627  0.193200  0.508686  1
  Ni  Ni165  1  0.590683  0.238146  0.476911  1
  Ni  Ni166  1  0.767656  0.215678  0.492795  1
  Ni  Ni167  1  0.424017  0.904812  0.476911  1
  Ni  Ni168  1  0.600989  0.882345  0.492795  1
  Ni  Ni169  1  0.611293  0.526533  0.508686  1
  Ni  Ni170  1  0.757350  0.571479  0.476911  1
  Ni  Ni171  1  0.934323  0.549012  0.492795  1
  Ni  Ni172  1  0.944627  0.193200  0.508686  1
  Ni  Ni173  1  0.090683  0.238146  0.476911  1
  Ni  Ni174  1  0.267656  0.215678  0.492795  1
  Ni  Ni175  1  0.777960  0.859867  0.508686  1
  Ni  Ni176  1  0.924017  0.904812  0.476911  1
  Ni  Ni177  1  0.100989  0.882345  0.492795  1
  Ni  Ni178  1  0.111293  0.526533  0.508686  1
  Ni  Ni179  1  0.257350  0.571479  0.476911  1
  Ni  Ni180  1  0.277960  0.859867  0.508686  1
  Ni  Ni181  1  0.417166  0.300062  0.550951  1
  Ni  Ni182  1  0.427424  0.944309  0.566826  1
  Ni  Ni183  1  0.573526  0.989227  0.535056  1
  Ni  Ni184  1  0.750500  0.966728  0.550951  1
  Ni  Ni185  1  0.406860  0.655894  0.535056  1
  Ni  Ni186  1  0.583833  0.633395  0.550951  1
  Ni  Ni187  1  0.594091  0.277642  0.566826  1
  Ni  Ni188  1  0.740193  0.322560  0.535056  1
  Ni  Ni189  1  0.917166  0.300062  0.550951  1
  Ni  Ni190  1  0.927424  0.944309  0.566826  1
  Ni  Ni191  1  0.073526  0.989227  0.535056  1
  Ni  Ni192  1  0.250500  0.966728  0.550951  1
  Ni  Ni193  1  0.760758  0.610976  0.566826  1
  Ni  Ni194  1  0.906860  0.655894  0.535056  1
  Ni  Ni195  1  0.083833  0.633395  0.550951  1
  Ni  Ni196  1  0.094091  0.277642  0.566826  1
  Ni  Ni197  1  0.240193  0.322560  0.535056  1
  Ni  Ni198  1  0.260758  0.610976  0.566826  1
  Ni  Ni199  1  0.465241  0.481564  0.540454  1
  Ni  Ni200  1  0.475534  0.125799  0.556357  1
  Ni  Ni201  1  0.621591  0.170731  0.524570  1
  Ni  Ni202  1  0.798574  0.148230  0.540454  1
  Ni  Ni203  1  0.454924  0.837398  0.524570  1
  Ni  Ni204  1  0.631907  0.814897  0.540454  1
  Ni  Ni205  1  0.642200  0.459132  0.556357  1
  Ni  Ni206  1  0.788257  0.504064  0.524570  1
  Ni  Ni207  1  0.965241  0.481564  0.540454  1
  Ni  Ni208  1  0.975534  0.125799  0.556357  1
  Ni  Ni209  1  0.121591  0.170731  0.524570  1
  Ni  Ni210  1  0.298574  0.148230  0.540454  1
  Ni  Ni211  1  0.808867  0.792466  0.556357  1
  Ni  Ni212  1  0.954924  0.837398  0.524570  1
  Ni  Ni213  1  0.131907  0.814897  0.540454  1
  Ni  Ni214  1  0.142200  0.459132  0.556357  1
  Ni  Ni215  1  0.288257  0.504064  0.524570  1
  Ni  Ni216  1  0.308867  0.792466  0.556357  1
  Ni  Ni217  1  0.447890  0.232631  0.598648  1
  Ni  Ni218  1  0.458282  0.876999  0.614396  1
  Ni  Ni219  1  0.604428  0.921785  0.582697  1
  Ni  Ni220  1  0.781223  0.899297  0.598648  1
  Ni  Ni221  1  0.437761  0.588451  0.582697  1
  Ni  Ni222  1  0.614556  0.565964  0.598648  1
  Ni  Ni223  1  0.624949  0.210333  0.614396  1
  Ni  Ni224  1  0.771094  0.255118  0.582697  1
  Ni  Ni225  1  0.947890  0.232631  0.598648  1
  Ni  Ni226  1  0.958282  0.876999  0.614396  1
  Ni  Ni227  1  0.104428  0.921785  0.582697  1
  Ni  Ni228  1  0.281223  0.899297  0.598648  1
  Ni  Ni229  1  0.791616  0.543666  0.614396  1
  Ni  Ni230  1  0.937761  0.588451  0.582697  1
  Ni  Ni231  1  0.114556  0.565964  0.598648  1
  Ni  Ni232  1  0.124949  0.210333  0.614396  1
  Ni  Ni233  1  0.271094  0.255118  0.582697  1
  Ni  Ni234  1  0.291616  0.543666  0.614396  1
  Ni  Ni235  1  0.496142  0.414073  0.588127  1
  Ni  Ni236  1  0.506550  0.058453  0.604016  1
  Ni  Ni237  1  0.652534  0.103282  0.572221  1
  Ni  Ni238  1  0.829475  0.080739  0.588127  1
  Ni  Ni239  1  0.485867  0.769949  0.572221  1
  Ni  Ni240  1  0.662809  0.747406  0.588127  1
  Ni  Ni241  1  0.673217  0.391787  0.604016  1
  Ni  Ni242  1  0.819200  0.436616  0.572221  1
  Ni  Ni243  1  0.996142  0.414073  0.588127  1
  Ni  Ni244  1  0.006550  0.058453  0.604016  1
  Ni  Ni245  1  0.152534  0.103282  0.572221  1
  Ni  Ni246  1  0.329475  0.080739  0.588127  1
  Ni  Ni247  1  0.839883  0.725120  0.604016  1
  Ni  Ni248  1  0.985867  0.769949  0.572221  1
  Ni  Ni249  1  0.162809  0.747406  0.588127  1
  Ni  Ni250  1  0.173217  0.391787  0.604016  1
  Ni  Ni251  1  0.319200  0.436616  0.572221  1
  Ni  Ni252  1  0.339883  0.725120  0.604016  1
  Ni  Ni253  1  0.478990  0.165446  0.646255  1
  Ni  Ni254  1  0.487911  0.809850  0.661790  1
  Ni  Ni255  1  0.634766  0.853980  0.630351  1
  Ni  Ni256  1  0.812323  0.832112  0.646255  1
  Ni  Ni257  1  0.468099  0.520646  0.630351  1
  Ni  Ni258  1  0.645656  0.498779  0.646255  1
  Ni  Ni259  1  0.654578  0.143183  0.661790  1
  Ni  Ni260  1  0.801432  0.187313  0.630351  1
  Ni  Ni261  1  0.978990  0.165446  0.646255  1
  Ni  Ni262  1  0.987911  0.809850  0.661790  1
  Ni  Ni263  1  0.134766  0.853980  0.630351  1
  Ni  Ni264  1  0.312323  0.832112  0.646255  1
  Ni  Ni265  1  0.821245  0.476517  0.661790  1
  Ni  Ni266  1  0.968099  0.520646  0.630351  1
  Ni  Ni267  1  0.145656  0.498779  0.646255  1
  Ni  Ni268  1  0.154578  0.143183  0.661790  1
  Ni  Ni269  1  0.301432  0.187313  0.630351  1
  Ni  Ni270  1  0.321245  0.476517  0.661790  1
  Ni  Ni271  1  0.527639  0.346608  0.635774  1
  Ni  Ni272  1  0.536895  0.991055  0.651736  1
  Ni  Ni273  1  0.683332  0.035661  0.619882  1
  Ni  Ni274  1  0.860972  0.013274  0.635774  1
  Ni  Ni275  1  0.516666  0.702328  0.619882  1
  Ni  Ni276  1  0.694306  0.679941  0.635774  1
  Ni  Ni277  1  0.703561  0.324388  0.651736  1
  Ni  Ni278  1  0.849999  0.368994  0.619882  1
  Ni  Ni279  1  0.027639  0.346608  0.635774  1
  Ni  Ni280  1  0.036895  0.991055  0.651736  1
  Ni  Ni281  1  0.183332  0.035661  0.619882  1
  Ni  Ni282  1  0.360972  0.013274  0.635774  1
  Ni  Ni283  1  0.870228  0.657722  0.651736  1
  Ni  Ni284  1  0.016666  0.702328  0.619882  1
  Ni  Ni285  1  0.194306  0.679941  0.635774  1
  Ni  Ni286  1  0.203561  0.324388  0.651736  1
  Ni  Ni287  1  0.349999  0.368994  0.619882  1
  Ni  Ni288  1  0.370228  0.657722  0.651736  1
  Ni  Ni289  1  0.509153  0.098318  0.694167  1
  Ni  Ni290  1  0.521814  0.738530  0.708386  1
  Ni  Ni291  1  0.666759  0.787219  0.677946  1
  Ni  Ni292  1  0.842486  0.764985  0.694167  1
  Ni  Ni293  1  0.500093  0.453885  0.677946  1
  Ni  Ni294  1  0.675820  0.431651  0.694167  1
  Ni  Ni295  1  0.688481  0.071863  0.708386  1
  Ni  Ni296  1  0.833426  0.120552  0.677946  1
  Ni  Ni297  1  0.009153  0.098318  0.694167  1
  Ni  Ni298  1  0.021814  0.738530  0.708386  1
  Ni  Ni299  1  0.166759  0.787219  0.677946  1
  Ni  Ni300  1  0.342486  0.764985  0.694167  1
  Ni  Ni301  1  0.855148  0.405196  0.708386  1
  Ni  Ni302  1  1.000093  0.453885  0.677946  1
  Ni  Ni303  1  0.175820  0.431651  0.694167  1
  Ni  Ni304  1  0.188481  0.071863  0.708386  1
  Ni  Ni305  1  0.333426  0.120552  0.677946  1
  Ni  Ni306  1  0.355148  0.405196  0.708386  1
  Ni  Ni307  1  0.556321  0.279542  0.684338  1
  Ni  Ni308  1  0.568588  0.921903  0.698973  1
  Ni  Ni309  1  0.714637  0.967840  0.667115  1
  Ni  Ni310  1  0.889654  0.946209  0.684338  1
  Ni  Ni311  1  0.547970  0.634506  0.667115  1
  Ni  Ni312  1  0.722987  0.612875  0.684338  1
  Ni  Ni313  1  0.735255  0.255236  0.698973  1
  Ni  Ni314  1  0.881304  0.301173  0.667115  1
  Ni  Ni315  1  0.056321  0.279542  0.684338  1
  Ni  Ni316  1  0.068588  0.921903  0.698973  1
  Ni  Ni317  1  0.214637  0.967840  0.667115  1
  Ni  Ni318  1  0.389654  0.946209  0.684338  1
  Ni  Ni319  1  0.901922  0.588569  0.698973  1
  Ni  Ni320  1  0.047970  0.634506  0.667115  1
  Ni  Ni321  1  0.222987  0.612875  0.684338  1
  Ni  Ni322  1  0.235255  0.255236  0.698973  1
  Ni  Ni323  1  0.381304  0.301173  0.667115  1
  Ni  Ni324  1  0.401922  0.588569  0.698973  1
