# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08999930
_cell_length_b   13.27463417
_cell_length_c   47.80473519
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.04383196
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8286.1068897
_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  0.266947  0.639262  0.312628  1
  Ni  Ni2  1  0.275265  0.284464  0.329331  1
  Ni  Ni3  1  0.422840  0.331628  0.297652  1
  Ni  Ni4  1  0.600281  0.305929  0.312628  1
  Ni  Ni5  1  0.256173  0.998295  0.297652  1
  Ni  Ni6  1  0.433614  0.972596  0.312628  1
  Ni  Ni7  1  0.441932  0.617798  0.329331  1
  Ni  Ni8  1  0.589506  0.664961  0.297652  1
  Ni  Ni9  1  0.766947  0.639262  0.312628  1
  Ni  Ni10  1  0.775265  0.284464  0.329331  1
  Ni  Ni11  1  0.922840  0.331628  0.297652  1
  Ni  Ni12  1  0.100281  0.305929  0.312628  1
  Ni  Ni13  1  0.608599  0.951131  0.329331  1
  Ni  Ni14  1  0.756173  0.998295  0.297652  1
  Ni  Ni15  1  0.933614  0.972596  0.312628  1
  Ni  Ni16  1  0.941932  0.617798  0.329331  1
  Ni  Ni17  1  0.089506  0.664961  0.297652  1
  Ni  Ni18  1  0.108599  0.951131  0.329331  1
  Ni  Ni19  1  0.310140  0.820342  0.303151  1
  Ni  Ni20  1  0.320382  0.463703  0.319082  1
  Ni  Ni21  1  0.468389  0.514554  0.288803  1
  Ni  Ni22  1  0.643473  0.487009  0.303151  1
  Ni  Ni23  1  0.301723  0.181221  0.288803  1
  Ni  Ni24  1  0.476806  0.153675  0.303151  1
  Ni  Ni25  1  0.487048  0.797036  0.319082  1
  Ni  Ni26  1  0.635056  0.847887  0.288803  1
  Ni  Ni27  1  0.810140  0.820342  0.303151  1
  Ni  Ni28  1  0.820382  0.463703  0.319082  1
  Ni  Ni29  1  0.968389  0.514554  0.288803  1
  Ni  Ni30  1  0.143473  0.487009  0.303151  1
  Ni  Ni31  1  0.653715  0.130370  0.319082  1
  Ni  Ni32  1  0.801723  0.181221  0.288803  1
  Ni  Ni33  1  0.976806  0.153675  0.303151  1
  Ni  Ni34  1  0.987048  0.797036  0.319082  1
  Ni  Ni35  1  0.135056  0.847887  0.288803  1
  Ni  Ni36  1  0.153715  0.130370  0.319082  1
  Ni  Ni37  1  0.294220  0.571346  0.360494  1
  Ni  Ni38  1  0.304759  0.215863  0.376682  1
  Ni  Ni39  1  0.451844  0.260692  0.344359  1
  Ni  Ni40  1  0.627554  0.238013  0.360494  1
  Ni  Ni41  1  0.285177  0.927359  0.344359  1
  Ni  Ni42  1  0.460887  0.904679  0.360494  1
  Ni  Ni43  1  0.471426  0.549196  0.376682  1
  Ni  Ni44  1  0.618510  0.594026  0.344359  1
  Ni  Ni45  1  0.794220  0.571346  0.360494  1
  Ni  Ni46  1  0.804759  0.215863  0.376682  1
  Ni  Ni47  1  0.951844  0.260692  0.344359  1
  Ni  Ni48  1  0.127554  0.238013  0.360494  1
  Ni  Ni49  1  0.638092  0.882530  0.376682  1
  Ni  Ni50  1  0.785177  0.927359  0.344359  1
  Ni  Ni51  1  0.960887  0.904679  0.360494  1
  Ni  Ni52  1  0.971426  0.549196  0.376682  1
  Ni  Ni53  1  0.118510  0.594026  0.344359  1
  Ni  Ni54  1  0.138092  0.882530  0.376682  1
  Ni  Ni55  1  0.341294  0.752947  0.350764  1
  Ni  Ni56  1  0.352628  0.397143  0.366329  1
  Ni  Ni57  1  0.498481  0.442109  0.334934  1
  Ni  Ni58  1  0.674627  0.419614  0.350764  1
  Ni  Ni59  1  0.331815  0.108775  0.334934  1
  Ni  Ni60  1  0.507960  0.086281  0.350764  1
  Ni  Ni61  1  0.519295  0.730476  0.366329  1
  Ni  Ni62  1  0.665148  0.775442  0.334934  1
  Ni  Ni63  1  0.841294  0.752947  0.350764  1
  Ni  Ni64  1  0.852628  0.397143  0.366329  1
  Ni  Ni65  1  0.998481  0.442109  0.334934  1
  Ni  Ni66  1  0.174627  0.419614  0.350764  1
  Ni  Ni67  1  0.685962  0.063810  0.366329  1
  Ni  Ni68  1  0.831815  0.108775  0.334934  1
  Ni  Ni69  1  0.007960  0.086281  0.350764  1
  Ni  Ni70  1  0.019295  0.730476  0.366329  1
  Ni  Ni71  1  0.165148  0.775442  0.334934  1
  Ni  Ni72  1  0.185962  0.063810  0.366329  1
  Ni  Ni73  1  0.324636  0.504078  0.408427  1
  Ni  Ni74  1  0.334927  0.148298  0.424417  1
  Ni  Ni75  1  0.481138  0.193261  0.392560  1
  Ni  Ni76  1  0.657969  0.170745  0.408427  1
  Ni  Ni77  1  0.314471  0.859928  0.392560  1
  Ni  Ni78  1  0.491303  0.837411  0.408427  1
  Ni  Ni79  1  0.501594  0.481632  0.424417  1
  Ni  Ni80  1  0.647804  0.526595  0.392560  1
  Ni  Ni81  1  0.824636  0.504078  0.408427  1
  Ni  Ni82  1  0.834927  0.148298  0.424417  1
  Ni  Ni83  1  0.981138  0.193261  0.392560  1
  Ni  Ni84  1  0.157969  0.170745  0.408427  1
  Ni  Ni85  1  0.668261  0.814965  0.424417  1
  Ni  Ni86  1  0.814471  0.859928  0.392560  1
  Ni  Ni87  1  0.991303  0.837411  0.408427  1
  Ni  Ni88  1  1.001594  0.481632  0.424417  1
  Ni  Ni89  1  0.147804  0.526595  0.392560  1
  Ni  Ni90  1  0.168261  0.814965  0.424417  1
  Ni  Ni91  1  0.372828  0.685169  0.398071  1
  Ni  Ni92  1  0.382966  0.329745  0.414057  1
  Ni  Ni93  1  0.529004  0.374009  0.382326  1
  Ni  Ni94  1  0.706161  0.351836  0.398071  1
  Ni  Ni95  1  0.362338  0.040676  0.382326  1
  Ni  Ni96  1  0.539495  0.018503  0.398071  1
  Ni  Ni97  1  0.549632  0.663078  0.414057  1
  Ni  Ni98  1  0.695671  0.707343  0.382326  1
  Ni  Ni99  1  0.872828  0.685169  0.398071  1
  Ni  Ni100  1  0.882966  0.329745  0.414057  1
  Ni  Ni101  1  0.029004  0.374009  0.382326  1
  Ni  Ni102  1  0.206161  0.351836  0.398071  1
  Ni  Ni103  1  0.716299  0.996412  0.414057  1
  Ni  Ni104  1  0.862338  0.040676  0.382326  1
  Ni  Ni105  1  0.039495  0.018503  0.398071  1
  Ni  Ni106  1  0.049632  0.663078  0.414057  1
  Ni  Ni107  1  0.195671  0.707343  0.382326  1
  Ni  Ni108  1  0.216299  0.996412  0.414057  1
  Ni  Ni109  1  0.355431  0.436731  0.456220  1
  Ni  Ni110  1  0.365721  0.080917  0.472119  1
  Ni  Ni111  1  0.511886  0.125750  0.440290  1
  Ni  Ni112  1  0.688764  0.103397  0.456220  1
  Ni  Ni113  1  0.345219  0.792416  0.440290  1
  Ni  Ni114  1  0.522098  0.770064  0.456220  1
  Ni  Ni115  1  0.532388  0.414251  0.472119  1
  Ni  Ni116  1  0.678552  0.459083  0.440290  1
  Ni  Ni117  1  0.855431  0.436731  0.456220  1
  Ni  Ni118  1  0.865721  0.080917  0.472119  1
  Ni  Ni119  1  0.011886  0.125750  0.440290  1
  Ni  Ni120  1  0.188764  0.103397  0.456220  1
  Ni  Ni121  1  0.699055  0.747584  0.472119  1
  Ni  Ni122  1  0.845219  0.792416  0.440290  1
  Ni  Ni123  1  0.022098  0.770064  0.456220  1
  Ni  Ni124  1  0.032388  0.414251  0.472119  1
  Ni  Ni125  1  0.178552  0.459083  0.440290  1
  Ni  Ni126  1  0.199055  0.747584  0.472119  1
  Ni  Ni127  1  0.403500  0.618054  0.445766  1
  Ni  Ni128  1  0.413796  0.262315  0.461675  1
  Ni  Ni129  1  0.559949  0.307149  0.429916  1
  Ni  Ni130  1  0.736833  0.284720  0.445766  1
  Ni  Ni131  1  0.393282  0.973816  0.429916  1
  Ni  Ni132  1  0.570166  0.951387  0.445766  1
  Ni  Ni133  1  0.580462  0.595648  0.461675  1
  Ni  Ni134  1  0.726616  0.640482  0.429916  1
  Ni  Ni135  1  0.903500  0.618054  0.445766  1
  Ni  Ni136  1  0.913796  0.262315  0.461675  1
  Ni  Ni137  1  0.059949  0.307149  0.429916  1
  Ni  Ni138  1  0.236833  0.284720  0.445766  1
  Ni  Ni139  1  0.747129  0.928982  0.461675  1
  Ni  Ni140  1  0.893282  0.973816  0.429916  1
  Ni  Ni141  1  0.070166  0.951387  0.445766  1
  Ni  Ni142  1  0.080462  0.595648  0.461675  1
  Ni  Ni143  1  0.226616  0.640482  0.429916  1
  Ni  Ni144  1  0.247129  0.928982  0.461675  1
  Ni  Ni145  1  0.386276  0.369347  0.503914  1
  Ni  Ni146  1  0.396568  0.013590  0.519802  1
  Ni  Ni147  1  0.542659  0.058450  0.488006  1
  Ni  Ni148  1  0.719610  0.036014  0.503914  1
  Ni  Ni149  1  0.375992  0.725116  0.488006  1
  Ni  Ni150  1  0.552943  0.702681  0.503914  1
  Ni  Ni151  1  0.563235  0.346924  0.519802  1
  Ni  Ni152  1  0.709325  0.391783  0.488006  1
  Ni  Ni153  1  0.886276  0.369347  0.503914  1
  Ni  Ni154  1  0.896568  0.013590  0.519802  1
  Ni  Ni155  1  0.042659  0.058450  0.488006  1
  Ni  Ni156  1  0.219610  0.036014  0.503914  1
  Ni  Ni157  1  0.729902  0.680257  0.519802  1
  Ni  Ni158  1  0.875992  0.725116  0.488006  1
  Ni  Ni159  1  0.052943  0.702681  0.503914  1
  Ni  Ni160  1  0.063235  0.346924  0.519802  1
  Ni  Ni161  1  0.209325  0.391783  0.488006  1
  Ni  Ni162  1  0.229902  0.680257  0.519802  1
  Ni  Ni163  1  0.434342  0.550781  0.493453  1
  Ni  Ni164  1  0.444627  0.195012  0.509361  1
  Ni  Ni165  1  0.590717  0.239871  0.477565  1
  Ni  Ni166  1  0.767676  0.217447  0.493453  1
  Ni  Ni167  1  0.424050  0.906538  0.477565  1
  Ni  Ni168  1  0.601009  0.884114  0.493453  1
  Ni  Ni169  1  0.611293  0.528345  0.509361  1
  Ni  Ni170  1  0.757384  0.573204  0.477565  1
  Ni  Ni171  1  0.934342  0.550781  0.493453  1
  Ni  Ni172  1  0.944627  0.195012  0.509361  1
  Ni  Ni173  1  0.090717  0.239871  0.477565  1
  Ni  Ni174  1  0.267676  0.217447  0.493453  1
  Ni  Ni175  1  0.777960  0.861679  0.509361  1
  Ni  Ni176  1  0.924050  0.906538  0.477565  1
  Ni  Ni177  1  0.101009  0.884114  0.493453  1
  Ni  Ni178  1  0.111293  0.528345  0.509361  1
  Ni  Ni179  1  0.257384  0.573204  0.477565  1
  Ni  Ni180  1  0.277960  0.861679  0.509361  1
  Ni  Ni181  1  0.417119  0.302074  0.551601  1
  Ni  Ni182  1  0.427336  0.946313  0.567451  1
  Ni  Ni183  1  0.573490  0.991146  0.535692  1
  Ni  Ni184  1  0.750452  0.968741  0.551601  1
  Ni  Ni185  1  0.406823  0.657813  0.535692  1
  Ni  Ni186  1  0.583786  0.635408  0.551601  1
  Ni  Ni187  1  0.594003  0.279646  0.567451  1
  Ni  Ni188  1  0.740156  0.324480  0.535692  1
  Ni  Ni189  1  0.917119  0.302074  0.551601  1
  Ni  Ni190  1  0.927336  0.946313  0.567451  1
  Ni  Ni191  1  0.073490  0.991146  0.535692  1
  Ni  Ni192  1  0.250452  0.968741  0.551601  1
  Ni  Ni193  1  0.760670  0.612979  0.567451  1
  Ni  Ni194  1  0.906823  0.657813  0.535692  1
  Ni  Ni195  1  0.083786  0.635408  0.551601  1
  Ni  Ni196  1  0.094003  0.279646  0.567451  1
  Ni  Ni197  1  0.240156  0.324480  0.535692  1
  Ni  Ni198  1  0.260670  0.612979  0.567451  1
  Ni  Ni199  1  0.465188  0.483398  0.541147  1
  Ni  Ni200  1  0.475400  0.127712  0.557077  1
  Ni  Ni201  1  0.621564  0.172544  0.525248  1
  Ni  Ni202  1  0.798521  0.150064  0.541147  1
  Ni  Ni203  1  0.454897  0.839211  0.525248  1
  Ni  Ni204  1  0.631854  0.816731  0.541147  1
  Ni  Ni205  1  0.642066  0.461045  0.557077  1
  Ni  Ni206  1  0.788231  0.505878  0.525248  1
  Ni  Ni207  1  0.965188  0.483398  0.541147  1
  Ni  Ni208  1  0.975400  0.127712  0.557077  1
  Ni  Ni209  1  0.121564  0.172544  0.525248  1
  Ni  Ni210  1  0.298521  0.150064  0.541147  1
  Ni  Ni211  1  0.808733  0.794379  0.557077  1
  Ni  Ni212  1  0.954897  0.839211  0.525248  1
  Ni  Ni213  1  0.131854  0.816731  0.541147  1
  Ni  Ni214  1  0.142066  0.461045  0.557077  1
  Ni  Ni215  1  0.288231  0.505878  0.525248  1
  Ni  Ni216  1  0.308733  0.794379  0.557077  1
  Ni  Ni217  1  0.447791  0.234959  0.599296  1
  Ni  Ni218  1  0.458281  0.879452  0.615041  1
  Ni  Ni219  1  0.604320  0.923716  0.583310  1
  Ni  Ni220  1  0.781124  0.901626  0.599296  1
  Ni  Ni221  1  0.437653  0.590383  0.583310  1
  Ni  Ni222  1  0.614457  0.568292  0.599296  1
  Ni  Ni223  1  0.624948  0.212785  0.615041  1
  Ni  Ni224  1  0.770986  0.257050  0.583310  1
  Ni  Ni225  1  0.947791  0.234959  0.599296  1
  Ni  Ni226  1  0.958281  0.879452  0.615041  1
  Ni  Ni227  1  0.104320  0.923716  0.583310  1
  Ni  Ni228  1  0.281124  0.901626  0.599296  1
  Ni  Ni229  1  0.791614  0.546119  0.615041  1
  Ni  Ni230  1  0.937653  0.590383  0.583310  1
  Ni  Ni231  1  0.114457  0.568292  0.599296  1
  Ni  Ni232  1  0.124948  0.212785  0.615041  1
  Ni  Ni233  1  0.270986  0.257050  0.583310  1
  Ni  Ni234  1  0.291614  0.546119  0.615041  1
  Ni  Ni235  1  0.495983  0.416050  0.588940  1
  Ni  Ni236  1  0.506148  0.060200  0.604807  1
  Ni  Ni237  1  0.652358  0.105163  0.572950  1
  Ni  Ni238  1  0.829316  0.082717  0.588940  1
  Ni  Ni239  1  0.485691  0.771830  0.572950  1
  Ni  Ni240  1  0.662649  0.749384  0.588940  1
  Ni  Ni241  1  0.672814  0.393534  0.604807  1
  Ni  Ni242  1  0.819025  0.438496  0.572950  1
  Ni  Ni243  1  0.995983  0.416050  0.588940  1
  Ni  Ni244  1  0.006148  0.060200  0.604807  1
  Ni  Ni245  1  0.152358  0.105163  0.572950  1
  Ni  Ni246  1  0.329316  0.082717  0.588940  1
  Ni  Ni247  1  0.839481  0.726867  0.604807  1
  Ni  Ni248  1  0.985691  0.771830  0.572950  1
  Ni  Ni249  1  0.162649  0.749384  0.588940  1
  Ni  Ni250  1  0.172814  0.393534  0.604807  1
  Ni  Ni251  1  0.319025  0.438496  0.572950  1
  Ni  Ni252  1  0.339481  0.726867  0.604807  1
  Ni  Ni253  1  0.479325  0.167181  0.646603  1
  Ni  Ni254  1  0.488804  0.811353  0.662433  1
  Ni  Ni255  1  0.634657  0.856319  0.631038  1
  Ni  Ni256  1  0.812658  0.833848  0.646603  1
  Ni  Ni257  1  0.467990  0.522985  0.631038  1
  Ni  Ni258  1  0.645992  0.500514  0.646603  1
  Ni  Ni259  1  0.655471  0.144686  0.662433  1
  Ni  Ni260  1  0.801324  0.189652  0.631038  1
  Ni  Ni261  1  0.979325  0.167181  0.646603  1
  Ni  Ni262  1  0.988804  0.811353  0.662433  1
  Ni  Ni263  1  0.134657  0.856319  0.631038  1
  Ni  Ni264  1  0.312658  0.833848  0.646603  1
  Ni  Ni265  1  0.822137  0.478020  0.662433  1
  Ni  Ni266  1  0.967990  0.522985  0.631038  1
  Ni  Ni267  1  0.145992  0.500514  0.646603  1
  Ni  Ni268  1  0.155471  0.144686  0.662433  1
  Ni  Ni269  1  0.301324  0.189652  0.631038  1
  Ni  Ni270  1  0.322137  0.478020  0.662433  1
  Ni  Ni271  1  0.526399  0.348782  0.636873  1
  Ni  Ni272  1  0.535442  0.992769  0.653008  1
  Ni  Ni273  1  0.682526  0.037599  0.620685  1
  Ni  Ni274  1  0.859732  0.015449  0.636873  1
  Ni  Ni275  1  0.515860  0.704265  0.620685  1
  Ni  Ni276  1  0.693065  0.682115  0.636873  1
  Ni  Ni277  1  0.702108  0.326102  0.653008  1
  Ni  Ni278  1  0.849193  0.370932  0.620685  1
  Ni  Ni279  1  0.026399  0.348782  0.636873  1
  Ni  Ni280  1  0.035442  0.992769  0.653008  1
  Ni  Ni281  1  0.182526  0.037599  0.620685  1
  Ni  Ni282  1  0.359732  0.015449  0.636873  1
  Ni  Ni283  1  0.868775  0.659436  0.653008  1
  Ni  Ni284  1  0.015860  0.704265  0.620685  1
  Ni  Ni285  1  0.193065  0.682115  0.636873  1
  Ni  Ni286  1  0.202108  0.326102  0.653008  1
  Ni  Ni287  1  0.349193  0.370932  0.620685  1
  Ni  Ni288  1  0.368775  0.659436  0.653008  1
  Ni  Ni289  1  0.510479  0.099786  0.694216  1
  Ni  Ni290  1  0.518896  0.738908  0.708564  1
  Ni  Ni291  1  0.666904  0.789759  0.678286  1
  Ni  Ni292  1  0.843812  0.766453  0.694216  1
  Ni  Ni293  1  0.500237  0.456425  0.678286  1
  Ni  Ni294  1  0.677146  0.433120  0.694216  1
  Ni  Ni295  1  0.685563  0.072241  0.708564  1
  Ni  Ni296  1  0.833570  0.123092  0.678286  1
  Ni  Ni297  1  0.010479  0.099786  0.694216  1
  Ni  Ni298  1  0.018896  0.738908  0.708564  1
  Ni  Ni299  1  0.166904  0.789759  0.678286  1
  Ni  Ni300  1  0.343812  0.766453  0.694216  1
  Ni  Ni301  1  0.852229  0.405574  0.708564  1
  Ni  Ni302  1  1.000237  0.456425  0.678286  1
  Ni  Ni303  1  0.177146  0.433120  0.694216  1
  Ni  Ni304  1  0.185563  0.072241  0.708564  1
  Ni  Ni305  1  0.333570  0.123092  0.678286  1
  Ni  Ni306  1  0.352229  0.405574  0.708564  1
  Ni  Ni307  1  0.553671  0.280866  0.684739  1
  Ni  Ni308  1  0.564446  0.921834  0.699715  1
  Ni  Ni309  1  0.712020  0.968997  0.668036  1
  Ni  Ni310  1  0.887005  0.947533  0.684739  1
  Ni  Ni311  1  0.545353  0.635664  0.668036  1
  Ni  Ni312  1  0.720338  0.614199  0.684739  1
  Ni  Ni313  1  0.731112  0.255167  0.699715  1
  Ni  Ni314  1  0.878687  0.302330  0.668036  1
  Ni  Ni315  1  0.053671  0.280866  0.684739  1
  Ni  Ni316  1  0.064446  0.921834  0.699715  1
  Ni  Ni317  1  0.212020  0.968997  0.668036  1
  Ni  Ni318  1  0.387005  0.947533  0.684739  1
  Ni  Ni319  1  0.897779  0.588500  0.699715  1
  Ni  Ni320  1  0.045353  0.635664  0.668036  1
  Ni  Ni321  1  0.220338  0.614199  0.684739  1
  Ni  Ni322  1  0.231112  0.255167  0.699715  1
  Ni  Ni323  1  0.378687  0.302330  0.668036  1
  Ni  Ni324  1  0.397779  0.588500  0.699715  1
