# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06998602
_cell_length_b   13.24587212
_cell_length_c   47.79526992
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.04263759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8253.88985974
_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  0.265575  0.639681  0.311581  1
  Ni  Ni2  1  0.273603  0.284435  0.329041  1
  Ni  Ni3  1  0.419814  0.330417  0.297119  1
  Ni  Ni4  1  0.598908  0.306348  0.311581  1
  Ni  Ni5  1  0.253148  0.997084  0.297119  1
  Ni  Ni6  1  0.432241  0.973014  0.311581  1
  Ni  Ni7  1  0.440270  0.617768  0.329041  1
  Ni  Ni8  1  0.586481  0.663751  0.297119  1
  Ni  Ni9  1  0.765575  0.639681  0.311581  1
  Ni  Ni10  1  0.773603  0.284435  0.329041  1
  Ni  Ni11  1  0.919814  0.330417  0.297119  1
  Ni  Ni12  1  0.098908  0.306348  0.311581  1
  Ni  Ni13  1  0.606936  0.951101  0.329041  1
  Ni  Ni14  1  0.753148  0.997084  0.297119  1
  Ni  Ni15  1  0.932241  0.973014  0.311581  1
  Ni  Ni16  1  0.940270  0.617768  0.329041  1
  Ni  Ni17  1  0.086481  0.663751  0.297119  1
  Ni  Ni18  1  0.106936  0.951101  0.329041  1
  Ni  Ni19  1  0.311142  0.820282  0.302155  1
  Ni  Ni20  1  0.320028  0.464011  0.318019  1
  Ni  Ni21  1  0.467547  0.513348  0.288634  1
  Ni  Ni22  1  0.644475  0.486949  0.302155  1
  Ni  Ni23  1  0.300880  0.180014  0.288634  1
  Ni  Ni24  1  0.477809  0.153616  0.302155  1
  Ni  Ni25  1  0.486695  0.797344  0.318019  1
  Ni  Ni26  1  0.634214  0.846681  0.288634  1
  Ni  Ni27  1  0.811142  0.820282  0.302155  1
  Ni  Ni28  1  0.820028  0.464011  0.318019  1
  Ni  Ni29  1  0.967547  0.513348  0.288634  1
  Ni  Ni30  1  0.144475  0.486949  0.302155  1
  Ni  Ni31  1  0.653361  0.130678  0.318019  1
  Ni  Ni32  1  0.800880  0.180014  0.288634  1
  Ni  Ni33  1  0.977809  0.153616  0.302155  1
  Ni  Ni34  1  0.986695  0.797344  0.318019  1
  Ni  Ni35  1  0.134214  0.846681  0.288634  1
  Ni  Ni36  1  0.153361  0.130678  0.318019  1
  Ni  Ni37  1  0.293601  0.572229  0.360275  1
  Ni  Ni38  1  0.304458  0.216774  0.376360  1
  Ni  Ni39  1  0.451151  0.261250  0.344310  1
  Ni  Ni40  1  0.626934  0.238896  0.360275  1
  Ni  Ni41  1  0.284484  0.927916  0.344310  1
  Ni  Ni42  1  0.460267  0.905562  0.360275  1
  Ni  Ni43  1  0.471124  0.550107  0.376360  1
  Ni  Ni44  1  0.617817  0.594583  0.344310  1
  Ni  Ni45  1  0.793601  0.572229  0.360275  1
  Ni  Ni46  1  0.804458  0.216774  0.376360  1
  Ni  Ni47  1  0.951151  0.261250  0.344310  1
  Ni  Ni48  1  0.126934  0.238896  0.360275  1
  Ni  Ni49  1  0.637791  0.883441  0.376360  1
  Ni  Ni50  1  0.784484  0.927916  0.344310  1
  Ni  Ni51  1  0.960267  0.905562  0.360275  1
  Ni  Ni52  1  0.971124  0.550107  0.376360  1
  Ni  Ni53  1  0.117817  0.594583  0.344310  1
  Ni  Ni54  1  0.137791  0.883441  0.376360  1
  Ni  Ni55  1  0.341493  0.753547  0.350175  1
  Ni  Ni56  1  0.352604  0.398299  0.365903  1
  Ni  Ni57  1  0.499135  0.442263  0.334630  1
  Ni  Ni58  1  0.674826  0.420213  0.350175  1
  Ni  Ni59  1  0.332468  0.108930  0.334630  1
  Ni  Ni60  1  0.508160  0.086880  0.350175  1
  Ni  Ni61  1  0.519271  0.731632  0.365903  1
  Ni  Ni62  1  0.665802  0.775597  0.334630  1
  Ni  Ni63  1  0.841493  0.753547  0.350175  1
  Ni  Ni64  1  0.852604  0.398299  0.365903  1
  Ni  Ni65  1  0.999135  0.442263  0.334630  1
  Ni  Ni66  1  0.174826  0.420213  0.350175  1
  Ni  Ni67  1  0.685937  0.064965  0.365903  1
  Ni  Ni68  1  0.832468  0.108930  0.334630  1
  Ni  Ni69  1  0.008160  0.086880  0.350175  1
  Ni  Ni70  1  0.019271  0.731632  0.365903  1
  Ni  Ni71  1  0.165802  0.775597  0.334630  1
  Ni  Ni72  1  0.185937  0.064965  0.365903  1
  Ni  Ni73  1  0.324696  0.505034  0.408076  1
  Ni  Ni74  1  0.334990  0.149227  0.424028  1
  Ni  Ni75  1  0.481072  0.194024  0.392209  1
  Ni  Ni76  1  0.658030  0.171701  0.408076  1
  Ni  Ni77  1  0.314405  0.860691  0.392209  1
  Ni  Ni78  1  0.491363  0.838368  0.408076  1
  Ni  Ni79  1  0.501657  0.482561  0.424028  1
  Ni  Ni80  1  0.647739  0.527357  0.392209  1
  Ni  Ni81  1  0.824696  0.505034  0.408076  1
  Ni  Ni82  1  0.834990  0.149227  0.424028  1
  Ni  Ni83  1  0.981072  0.194024  0.392209  1
  Ni  Ni84  1  0.158030  0.171701  0.408076  1
  Ni  Ni85  1  0.668324  0.815894  0.424028  1
  Ni  Ni86  1  0.814405  0.860691  0.392209  1
  Ni  Ni87  1  0.991363  0.838368  0.408076  1
  Ni  Ni88  1  1.001657  0.482561  0.424028  1
  Ni  Ni89  1  0.147739  0.527357  0.392209  1
  Ni  Ni90  1  0.168324  0.815894  0.424028  1
  Ni  Ni91  1  0.372925  0.686292  0.397629  1
  Ni  Ni92  1  0.383104  0.330699  0.413572  1
  Ni  Ni93  1  0.529158  0.375149  0.381914  1
  Ni  Ni94  1  0.706258  0.352959  0.397629  1
  Ni  Ni95  1  0.362491  0.041816  0.381914  1
  Ni  Ni96  1  0.539592  0.019626  0.397629  1
  Ni  Ni97  1  0.549770  0.664032  0.413572  1
  Ni  Ni98  1  0.695824  0.708483  0.381914  1
  Ni  Ni99  1  0.872925  0.686292  0.397629  1
  Ni  Ni100  1  0.883104  0.330699  0.413572  1
  Ni  Ni101  1  0.029158  0.375149  0.381914  1
  Ni  Ni102  1  0.206258  0.352959  0.397629  1
  Ni  Ni103  1  0.716437  0.997365  0.413572  1
  Ni  Ni104  1  0.862491  0.041816  0.381914  1
  Ni  Ni105  1  0.039592  0.019626  0.397629  1
  Ni  Ni106  1  0.049770  0.664032  0.413572  1
  Ni  Ni107  1  0.195824  0.708483  0.381914  1
  Ni  Ni108  1  0.216437  0.997365  0.413572  1
  Ni  Ni109  1  0.355567  0.437691  0.455788  1
  Ni  Ni110  1  0.365886  0.081908  0.471680  1
  Ni  Ni111  1  0.511969  0.126722  0.439884  1
  Ni  Ni112  1  0.688900  0.104358  0.455788  1
  Ni  Ni113  1  0.345302  0.793389  0.439884  1
  Ni  Ni114  1  0.522233  0.771025  0.455788  1
  Ni  Ni115  1  0.532553  0.415241  0.471680  1
  Ni  Ni116  1  0.678636  0.460055  0.439884  1
  Ni  Ni117  1  0.855567  0.437691  0.455788  1
  Ni  Ni118  1  0.865886  0.081908  0.471680  1
  Ni  Ni119  1  0.011969  0.126722  0.439884  1
  Ni  Ni120  1  0.188900  0.104358  0.455788  1
  Ni  Ni121  1  0.699219  0.748574  0.471680  1
  Ni  Ni122  1  0.845302  0.793389  0.439884  1
  Ni  Ni123  1  0.022233  0.771025  0.455788  1
  Ni  Ni124  1  0.032553  0.415241  0.471680  1
  Ni  Ni125  1  0.178636  0.460055  0.439884  1
  Ni  Ni126  1  0.199219  0.748574  0.471680  1
  Ni  Ni127  1  0.403712  0.619118  0.445304  1
  Ni  Ni128  1  0.414021  0.263370  0.461199  1
  Ni  Ni129  1  0.560121  0.308155  0.429452  1
  Ni  Ni130  1  0.737045  0.285785  0.445304  1
  Ni  Ni131  1  0.393454  0.974822  0.429452  1
  Ni  Ni132  1  0.570378  0.952451  0.445304  1
  Ni  Ni133  1  0.580688  0.596703  0.461199  1
  Ni  Ni134  1  0.726787  0.641488  0.429452  1
  Ni  Ni135  1  0.903712  0.619118  0.445304  1
  Ni  Ni136  1  0.914021  0.263370  0.461199  1
  Ni  Ni137  1  0.060121  0.308155  0.429452  1
  Ni  Ni138  1  0.237045  0.285785  0.445304  1
  Ni  Ni139  1  0.747355  0.930037  0.461199  1
  Ni  Ni140  1  0.893454  0.974822  0.429452  1
  Ni  Ni141  1  0.070378  0.952451  0.445304  1
  Ni  Ni142  1  0.080688  0.596703  0.461199  1
  Ni  Ni143  1  0.226787  0.641488  0.429452  1
  Ni  Ni144  1  0.247355  0.930037  0.461199  1
  Ni  Ni145  1  0.386479  0.370383  0.503450  1
  Ni  Ni146  1  0.396786  0.014640  0.519330  1
  Ni  Ni147  1  0.542845  0.059468  0.487559  1
  Ni  Ni148  1  0.719812  0.037050  0.503450  1
  Ni  Ni149  1  0.376178  0.726135  0.487559  1
  Ni  Ni150  1  0.553145  0.703717  0.503450  1
  Ni  Ni151  1  0.563453  0.347973  0.519330  1
  Ni  Ni152  1  0.709511  0.392801  0.487559  1
  Ni  Ni153  1  0.886479  0.370383  0.503450  1
  Ni  Ni154  1  0.896786  0.014640  0.519330  1
  Ni  Ni155  1  0.042845  0.059468  0.487559  1
  Ni  Ni156  1  0.219812  0.037050  0.503450  1
  Ni  Ni157  1  0.730120  0.681306  0.519330  1
  Ni  Ni158  1  0.876178  0.726135  0.487559  1
  Ni  Ni159  1  0.053145  0.703717  0.503450  1
  Ni  Ni160  1  0.063453  0.347973  0.519330  1
  Ni  Ni161  1  0.209511  0.392801  0.487559  1
  Ni  Ni162  1  0.230120  0.681306  0.519330  1
  Ni  Ni163  1  0.434618  0.551850  0.492960  1
  Ni  Ni164  1  0.444919  0.196099  0.508852  1
  Ni  Ni165  1  0.590977  0.240927  0.477080  1
  Ni  Ni166  1  0.767951  0.218517  0.492960  1
  Ni  Ni167  1  0.424310  0.907594  0.477080  1
  Ni  Ni168  1  0.601285  0.885183  0.492960  1
  Ni  Ni169  1  0.611585  0.529432  0.508852  1
  Ni  Ni170  1  0.757644  0.574260  0.477080  1
  Ni  Ni171  1  0.934618  0.551850  0.492960  1
  Ni  Ni172  1  0.944919  0.196099  0.508852  1
  Ni  Ni173  1  0.090977  0.240927  0.477080  1
  Ni  Ni174  1  0.267951  0.218517  0.492960  1
  Ni  Ni175  1  0.778252  0.862765  0.508852  1
  Ni  Ni176  1  0.924310  0.907594  0.477080  1
  Ni  Ni177  1  0.101285  0.885183  0.492960  1
  Ni  Ni178  1  0.111585  0.529432  0.508852  1
  Ni  Ni179  1  0.257644  0.574260  0.477080  1
  Ni  Ni180  1  0.278252  0.862765  0.508852  1
  Ni  Ni181  1  0.417385  0.303115  0.551107  1
  Ni  Ni182  1  0.427643  0.947412  0.566958  1
  Ni  Ni183  1  0.573742  0.992196  0.535212  1
  Ni  Ni184  1  0.750718  0.969782  0.551107  1
  Ni  Ni185  1  0.407075  0.658863  0.535212  1
  Ni  Ni186  1  0.584052  0.636449  0.551107  1
  Ni  Ni187  1  0.594309  0.280745  0.566958  1
  Ni  Ni188  1  0.740409  0.325530  0.535212  1
  Ni  Ni189  1  0.917385  0.303115  0.551107  1
  Ni  Ni190  1  0.927643  0.947412  0.566958  1
  Ni  Ni191  1  0.073742  0.992196  0.535212  1
  Ni  Ni192  1  0.250718  0.969782  0.551107  1
  Ni  Ni193  1  0.760976  0.614078  0.566958  1
  Ni  Ni194  1  0.907075  0.658863  0.535212  1
  Ni  Ni195  1  0.084052  0.636449  0.551107  1
  Ni  Ni196  1  0.094309  0.280745  0.566958  1
  Ni  Ni197  1  0.240409  0.325530  0.535212  1
  Ni  Ni198  1  0.260976  0.614078  0.566958  1
  Ni  Ni199  1  0.465530  0.484542  0.540622  1
  Ni  Ni200  1  0.475794  0.128845  0.556526  1
  Ni  Ni201  1  0.621878  0.173659  0.524730  1
  Ni  Ni202  1  0.798863  0.151208  0.540622  1
  Ni  Ni203  1  0.455211  0.840326  0.524730  1
  Ni  Ni204  1  0.632197  0.817875  0.540622  1
  Ni  Ni205  1  0.642461  0.462178  0.556526  1
  Ni  Ni206  1  0.788544  0.506992  0.524730  1
  Ni  Ni207  1  0.965530  0.484542  0.540622  1
  Ni  Ni208  1  0.975794  0.128845  0.556526  1
  Ni  Ni209  1  0.121878  0.173659  0.524730  1
  Ni  Ni210  1  0.298863  0.151208  0.540622  1
  Ni  Ni211  1  0.809128  0.795511  0.556526  1
  Ni  Ni212  1  0.955211  0.840326  0.524730  1
  Ni  Ni213  1  0.132197  0.817875  0.540622  1
  Ni  Ni214  1  0.142461  0.462178  0.556526  1
  Ni  Ni215  1  0.288544  0.506992  0.524730  1
  Ni  Ni216  1  0.309128  0.795511  0.556526  1
  Ni  Ni217  1  0.448172  0.235941  0.598782  1
  Ni  Ni218  1  0.458606  0.880417  0.614496  1
  Ni  Ni219  1  0.604660  0.924868  0.582839  1
  Ni  Ni220  1  0.781505  0.902608  0.598782  1
  Ni  Ni221  1  0.437993  0.591535  0.582839  1
  Ni  Ni222  1  0.614838  0.569274  0.598782  1
  Ni  Ni223  1  0.625272  0.213751  0.614496  1
  Ni  Ni224  1  0.771326  0.258201  0.582839  1
  Ni  Ni225  1  0.948172  0.235941  0.598782  1
  Ni  Ni226  1  0.958606  0.880417  0.614496  1
  Ni  Ni227  1  0.104660  0.924868  0.582839  1
  Ni  Ni228  1  0.281505  0.902608  0.598782  1
  Ni  Ni229  1  0.791939  0.547084  0.614496  1
  Ni  Ni230  1  0.937993  0.591535  0.582839  1
  Ni  Ni231  1  0.114838  0.569274  0.598782  1
  Ni  Ni232  1  0.125272  0.213751  0.614496  1
  Ni  Ni233  1  0.271326  0.258201  0.582839  1
  Ni  Ni234  1  0.291939  0.547084  0.614496  1
  Ni  Ni235  1  0.496400  0.417199  0.588334  1
  Ni  Ni236  1  0.506692  0.061542  0.604201  1
  Ni  Ni237  1  0.652773  0.106339  0.572382  1
  Ni  Ni238  1  0.829734  0.083866  0.588334  1
  Ni  Ni239  1  0.486106  0.773006  0.572382  1
  Ni  Ni240  1  0.663067  0.750532  0.588334  1
  Ni  Ni241  1  0.673358  0.394876  0.604201  1
  Ni  Ni242  1  0.819440  0.439673  0.572382  1
  Ni  Ni243  1  0.996400  0.417199  0.588334  1
  Ni  Ni244  1  0.006692  0.061542  0.604201  1
  Ni  Ni245  1  0.152773  0.106339  0.572382  1
  Ni  Ni246  1  0.329734  0.083866  0.588334  1
  Ni  Ni247  1  0.840025  0.728209  0.604201  1
  Ni  Ni248  1  0.986106  0.773006  0.572382  1
  Ni  Ni249  1  0.163067  0.750532  0.588334  1
  Ni  Ni250  1  0.173358  0.394876  0.604201  1
  Ni  Ni251  1  0.319440  0.439673  0.572382  1
  Ni  Ni252  1  0.340025  0.728209  0.604201  1
  Ni  Ni253  1  0.479604  0.168687  0.646236  1
  Ni  Ni254  1  0.488628  0.813303  0.661780  1
  Ni  Ni255  1  0.635159  0.857268  0.630507  1
  Ni  Ni256  1  0.812937  0.835353  0.646236  1
  Ni  Ni257  1  0.468493  0.523935  0.630507  1
  Ni  Ni258  1  0.646270  0.502020  0.646236  1
  Ni  Ni259  1  0.655295  0.146637  0.661780  1
  Ni  Ni260  1  0.801826  0.190601  0.630507  1
  Ni  Ni261  1  0.979604  0.168687  0.646236  1
  Ni  Ni262  1  0.988628  0.813303  0.661780  1
  Ni  Ni263  1  0.135159  0.857268  0.630507  1
  Ni  Ni264  1  0.312937  0.835353  0.646236  1
  Ni  Ni265  1  0.821962  0.479970  0.661780  1
  Ni  Ni266  1  0.968493  0.523935  0.630507  1
  Ni  Ni267  1  0.146270  0.502020  0.646236  1
  Ni  Ni268  1  0.155295  0.146637  0.661780  1
  Ni  Ni269  1  0.301826  0.190601  0.630507  1
  Ni  Ni270  1  0.321962  0.479970  0.661780  1
  Ni  Ni271  1  0.527496  0.350004  0.636135  1
  Ni  Ni272  1  0.536613  0.994317  0.652100  1
  Ni  Ni273  1  0.683306  0.038793  0.620051  1
  Ni  Ni274  1  0.860829  0.016671  0.636135  1
  Ni  Ni275  1  0.516639  0.705459  0.620051  1
  Ni  Ni276  1  0.694163  0.683338  0.636135  1
  Ni  Ni277  1  0.703280  0.327650  0.652100  1
  Ni  Ni278  1  0.849972  0.372126  0.620051  1
  Ni  Ni279  1  0.027496  0.350004  0.636135  1
  Ni  Ni280  1  0.036613  0.994317  0.652100  1
  Ni  Ni281  1  0.183306  0.038793  0.620051  1
  Ni  Ni282  1  0.360829  0.016671  0.636135  1
  Ni  Ni283  1  0.869946  0.660984  0.652100  1
  Ni  Ni284  1  0.016639  0.705459  0.620051  1
  Ni  Ni285  1  0.194163  0.683338  0.636135  1
  Ni  Ni286  1  0.203280  0.327650  0.652100  1
  Ni  Ni287  1  0.349972  0.372126  0.620051  1
  Ni  Ni288  1  0.369946  0.660984  0.652100  1
  Ni  Ni289  1  0.509955  0.101951  0.694255  1
  Ni  Ni290  1  0.520216  0.742219  0.707777  1
  Ni  Ni291  1  0.667735  0.791555  0.678392  1
  Ni  Ni292  1  0.843288  0.768618  0.694255  1
  Ni  Ni293  1  0.501069  0.458222  0.678392  1
  Ni  Ni294  1  0.676621  0.435284  0.694255  1
  Ni  Ni295  1  0.686883  0.075552  0.707777  1
  Ni  Ni296  1  0.834402  0.124889  0.678392  1
  Ni  Ni297  1  0.009955  0.101951  0.694255  1
  Ni  Ni298  1  0.020216  0.742219  0.707777  1
  Ni  Ni299  1  0.167735  0.791555  0.678392  1
  Ni  Ni300  1  0.343288  0.768618  0.694255  1
  Ni  Ni301  1  0.853550  0.408886  0.707777  1
  Ni  Ni302  1  1.001069  0.458222  0.678392  1
  Ni  Ni303  1  0.176621  0.435284  0.694255  1
  Ni  Ni304  1  0.186883  0.075552  0.707777  1
  Ni  Ni305  1  0.334402  0.124889  0.678392  1
  Ni  Ni306  1  0.353550  0.408886  0.707777  1
  Ni  Ni307  1  0.555522  0.282552  0.684829  1
  Ni  Ni308  1  0.567949  0.925149  0.699291  1
  Ni  Ni309  1  0.714160  0.971132  0.667370  1
  Ni  Ni310  1  0.888855  0.949219  0.684829  1
  Ni  Ni311  1  0.547494  0.637798  0.667370  1
  Ni  Ni312  1  0.722189  0.615886  0.684829  1
  Ni  Ni313  1  0.734616  0.258482  0.699291  1
  Ni  Ni314  1  0.880827  0.304465  0.667370  1
  Ni  Ni315  1  0.055522  0.282552  0.684829  1
  Ni  Ni316  1  0.067949  0.925149  0.699291  1
  Ni  Ni317  1  0.214160  0.971132  0.667370  1
  Ni  Ni318  1  0.388855  0.949219  0.684829  1
  Ni  Ni319  1  0.901282  0.591816  0.699291  1
  Ni  Ni320  1  0.047494  0.637798  0.667370  1
  Ni  Ni321  1  0.222189  0.615886  0.684829  1
  Ni  Ni322  1  0.234616  0.258482  0.699291  1
  Ni  Ni323  1  0.380827  0.304465  0.667370  1
  Ni  Ni324  1  0.401282  0.591816  0.699291  1
