# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.01218111
_cell_length_b   13.37391451
_cell_length_c   47.85232199
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.98640121
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8307.29521079
_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  0.267294  0.653805  0.311296  1
  Ni  Ni2  1  0.275442  0.297785  0.328175  1
  Ni  Ni3  1  0.422265  0.341680  0.298044  1
  Ni  Ni4  1  0.600627  0.320472  0.311296  1
  Ni  Ni5  1  0.255598  0.008347  0.298044  1
  Ni  Ni6  1  0.433961  0.987139  0.311296  1
  Ni  Ni7  1  0.442109  0.631119  0.328175  1
  Ni  Ni8  1  0.588931  0.675014  0.298044  1
  Ni  Ni9  1  0.767294  0.653805  0.311296  1
  Ni  Ni10  1  0.775442  0.297785  0.328175  1
  Ni  Ni11  1  0.922265  0.341680  0.298044  1
  Ni  Ni12  1  0.100627  0.320472  0.311296  1
  Ni  Ni13  1  0.608776  0.964452  0.328175  1
  Ni  Ni14  1  0.755598  0.008347  0.298044  1
  Ni  Ni15  1  0.933961  0.987139  0.311296  1
  Ni  Ni16  1  0.942109  0.631119  0.328175  1
  Ni  Ni17  1  0.088931  0.675014  0.298044  1
  Ni  Ni18  1  0.108776  0.964452  0.328175  1
  Ni  Ni19  1  0.315186  0.833845  0.303070  1
  Ni  Ni20  1  0.323400  0.477213  0.317392  1
  Ni  Ni21  1  0.473772  0.522216  0.289282  1
  Ni  Ni22  1  0.648520  0.500512  0.303070  1
  Ni  Ni23  1  0.307106  0.188882  0.289282  1
  Ni  Ni24  1  0.481853  0.167179  0.303070  1
  Ni  Ni25  1  0.490066  0.810547  0.317392  1
  Ni  Ni26  1  0.640439  0.855549  0.289282  1
  Ni  Ni27  1  0.815186  0.833845  0.303070  1
  Ni  Ni28  1  0.823400  0.477213  0.317392  1
  Ni  Ni29  1  0.973772  0.522216  0.289282  1
  Ni  Ni30  1  0.148520  0.500512  0.303070  1
  Ni  Ni31  1  0.656733  0.143880  0.317392  1
  Ni  Ni32  1  0.807106  0.188882  0.289282  1
  Ni  Ni33  1  0.981853  0.167179  0.303070  1
  Ni  Ni34  1  0.990066  0.810547  0.317392  1
  Ni  Ni35  1  0.140439  0.855549  0.289282  1
  Ni  Ni36  1  0.156733  0.143880  0.317392  1
  Ni  Ni37  1  0.295999  0.587006  0.359523  1
  Ni  Ni38  1  0.306913  0.232536  0.375723  1
  Ni  Ni39  1  0.453561  0.275272  0.344077  1
  Ni  Ni40  1  0.629332  0.253673  0.359523  1
  Ni  Ni41  1  0.286894  0.941939  0.344077  1
  Ni  Ni42  1  0.462665  0.920340  0.359523  1
  Ni  Ni43  1  0.473579  0.565869  0.375723  1
  Ni  Ni44  1  0.620227  0.608606  0.344077  1
  Ni  Ni45  1  0.795999  0.587006  0.359523  1
  Ni  Ni46  1  0.806913  0.232536  0.375723  1
  Ni  Ni47  1  0.953561  0.275272  0.344077  1
  Ni  Ni48  1  0.129332  0.253673  0.359523  1
  Ni  Ni49  1  0.640246  0.899202  0.375723  1
  Ni  Ni50  1  0.786894  0.941939  0.344077  1
  Ni  Ni51  1  0.962665  0.920340  0.359523  1
  Ni  Ni52  1  0.973579  0.565869  0.375723  1
  Ni  Ni53  1  0.120227  0.608606  0.344077  1
  Ni  Ni54  1  0.140246  0.899202  0.375723  1
  Ni  Ni55  1  0.344718  0.767547  0.349778  1
  Ni  Ni56  1  0.355207  0.413333  0.365258  1
  Ni  Ni57  1  0.502542  0.455503  0.334587  1
  Ni  Ni58  1  0.678051  0.434213  0.349778  1
  Ni  Ni59  1  0.335875  0.122169  0.334587  1
  Ni  Ni60  1  0.511384  0.100880  0.349778  1
  Ni  Ni61  1  0.521874  0.746667  0.365258  1
  Ni  Ni62  1  0.669208  0.788836  0.334587  1
  Ni  Ni63  1  0.844718  0.767547  0.349778  1
  Ni  Ni64  1  0.855207  0.413333  0.365258  1
  Ni  Ni65  1  1.002542  0.455503  0.334587  1
  Ni  Ni66  1  0.178051  0.434213  0.349778  1
  Ni  Ni67  1  0.688541  0.080000  0.365258  1
  Ni  Ni68  1  0.835875  0.122169  0.334587  1
  Ni  Ni69  1  0.011384  0.100880  0.349778  1
  Ni  Ni70  1  0.021874  0.746667  0.365258  1
  Ni  Ni71  1  0.169208  0.788836  0.334587  1
  Ni  Ni72  1  0.188541  0.080000  0.365258  1
  Ni  Ni73  1  0.327564  0.521991  0.407541  1
  Ni  Ni74  1  0.337885  0.167006  0.423590  1
  Ni  Ni75  1  0.483886  0.210154  0.391755  1
  Ni  Ni76  1  0.660897  0.188657  0.407541  1
  Ni  Ni77  1  0.317219  0.876821  0.391755  1
  Ni  Ni78  1  0.494230  0.855324  0.407541  1
  Ni  Ni79  1  0.504551  0.500339  0.423590  1
  Ni  Ni80  1  0.650553  0.543488  0.391755  1
  Ni  Ni81  1  0.827564  0.521991  0.407541  1
  Ni  Ni82  1  0.837885  0.167006  0.423590  1
  Ni  Ni83  1  0.983886  0.210154  0.391755  1
  Ni  Ni84  1  0.160897  0.188657  0.407541  1
  Ni  Ni85  1  0.671218  0.833673  0.423590  1
  Ni  Ni86  1  0.817219  0.876821  0.391755  1
  Ni  Ni87  1  0.994230  0.855324  0.407541  1
  Ni  Ni88  1  0.004551  0.500339  0.423590  1
  Ni  Ni89  1  0.150553  0.543488  0.391755  1
  Ni  Ni90  1  0.171218  0.833673  0.423590  1
  Ni  Ni91  1  0.375634  0.702563  0.397230  1
  Ni  Ni92  1  0.385748  0.347859  0.413149  1
  Ni  Ni93  1  0.531961  0.390761  0.381573  1
  Ni  Ni94  1  0.708967  0.369230  0.397230  1
  Ni  Ni95  1  0.365294  0.057427  0.381573  1
  Ni  Ni96  1  0.542301  0.035896  0.397230  1
  Ni  Ni97  1  0.552415  0.681193  0.413149  1
  Ni  Ni98  1  0.698627  0.724094  0.381573  1
  Ni  Ni99  1  0.875634  0.702563  0.397230  1
  Ni  Ni100  1  0.885748  0.347859  0.413149  1
  Ni  Ni101  1  0.031961  0.390761  0.381573  1
  Ni  Ni102  1  0.208967  0.369230  0.397230  1
  Ni  Ni103  1  0.719082  0.014526  0.413149  1
  Ni  Ni104  1  0.865294  0.057427  0.381573  1
  Ni  Ni105  1  0.042301  0.035896  0.397230  1
  Ni  Ni106  1  0.052415  0.681193  0.413149  1
  Ni  Ni107  1  0.198627  0.724094  0.381573  1
  Ni  Ni108  1  0.219082  0.014526  0.413149  1
  Ni  Ni109  1  0.358624  0.456892  0.455433  1
  Ni  Ni110  1  0.369000  0.101877  0.471385  1
  Ni  Ni111  1  0.514991  0.145151  0.439515  1
  Ni  Ni112  1  0.691957  0.123559  0.455433  1
  Ni  Ni113  1  0.348325  0.811817  0.439515  1
  Ni  Ni114  1  0.525291  0.790225  0.455433  1
  Ni  Ni115  1  0.535666  0.435210  0.471385  1
  Ni  Ni116  1  0.681658  0.478484  0.439515  1
  Ni  Ni117  1  0.858624  0.456892  0.455433  1
  Ni  Ni118  1  0.869000  0.101877  0.471385  1
  Ni  Ni119  1  0.014991  0.145151  0.439515  1
  Ni  Ni120  1  0.191957  0.123559  0.455433  1
  Ni  Ni121  1  0.702333  0.768544  0.471385  1
  Ni  Ni122  1  0.848325  0.811817  0.439515  1
  Ni  Ni123  1  0.025291  0.790225  0.455433  1
  Ni  Ni124  1  0.035666  0.435210  0.471385  1
  Ni  Ni125  1  0.181658  0.478484  0.439515  1
  Ni  Ni126  1  0.202333  0.768544  0.471385  1
  Ni  Ni127  1  0.406468  0.637703  0.445013  1
  Ni  Ni128  1  0.416807  0.282752  0.460933  1
  Ni  Ni129  1  0.562845  0.326000  0.429151  1
  Ni  Ni130  1  0.739801  0.304370  0.445013  1
  Ni  Ni131  1  0.396178  0.992666  0.429151  1
  Ni  Ni132  1  0.573134  0.971036  0.445013  1
  Ni  Ni133  1  0.583474  0.616085  0.460933  1
  Ni  Ni134  1  0.729512  0.659333  0.429151  1
  Ni  Ni135  1  0.906468  0.637703  0.445013  1
  Ni  Ni136  1  0.916807  0.282752  0.460933  1
  Ni  Ni137  1  0.062845  0.326000  0.429151  1
  Ni  Ni138  1  0.239801  0.304370  0.445013  1
  Ni  Ni139  1  0.750141  0.949418  0.460933  1
  Ni  Ni140  1  0.896178  0.992666  0.429151  1
  Ni  Ni141  1  0.073134  0.971036  0.445013  1
  Ni  Ni142  1  0.083474  0.616085  0.460933  1
  Ni  Ni143  1  0.229512  0.659333  0.429151  1
  Ni  Ni144  1  0.250141  0.949418  0.460933  1
  Ni  Ni145  1  0.389712  0.391833  0.503242  1
  Ni  Ni146  1  0.400073  0.036844  0.519160  1
  Ni  Ni147  1  0.546032  0.080147  0.487317  1
  Ni  Ni148  1  0.723045  0.058500  0.503242  1
  Ni  Ni149  1  0.379365  0.746814  0.487317  1
  Ni  Ni150  1  0.556378  0.725166  0.503242  1
  Ni  Ni151  1  0.566739  0.370177  0.519160  1
  Ni  Ni152  1  0.712699  0.413481  0.487317  1
  Ni  Ni153  1  0.889712  0.391833  0.503242  1
  Ni  Ni154  1  0.900073  0.036844  0.519160  1
  Ni  Ni155  1  0.046032  0.080147  0.487317  1
  Ni  Ni156  1  0.223045  0.058500  0.503242  1
  Ni  Ni157  1  0.733406  0.703510  0.519160  1
  Ni  Ni158  1  0.879365  0.746814  0.487317  1
  Ni  Ni159  1  0.056378  0.725166  0.503242  1
  Ni  Ni160  1  0.066739  0.370177  0.519160  1
  Ni  Ni161  1  0.212699  0.413481  0.487317  1
  Ni  Ni162  1  0.233406  0.703510  0.519160  1
  Ni  Ni163  1  0.437526  0.572701  0.492798  1
  Ni  Ni164  1  0.447872  0.217720  0.508723  1
  Ni  Ni165  1  0.593831  0.261023  0.476880  1
  Ni  Ni166  1  0.770859  0.239367  0.492798  1
  Ni  Ni167  1  0.427165  0.927690  0.476880  1
  Ni  Ni168  1  0.604193  0.906034  0.492798  1
  Ni  Ni169  1  0.614539  0.551053  0.508723  1
  Ni  Ni170  1  0.760498  0.594357  0.476880  1
  Ni  Ni171  1  0.937526  0.572701  0.492798  1
  Ni  Ni172  1  0.947872  0.217720  0.508723  1
  Ni  Ni173  1  0.093831  0.261023  0.476880  1
  Ni  Ni174  1  0.270859  0.239367  0.492798  1
  Ni  Ni175  1  0.781206  0.884386  0.508723  1
  Ni  Ni176  1  0.927165  0.927690  0.476880  1
  Ni  Ni177  1  0.104193  0.906034  0.492798  1
  Ni  Ni178  1  0.114539  0.551053  0.508723  1
  Ni  Ni179  1  0.260498  0.594357  0.476880  1
  Ni  Ni180  1  0.281206  0.884386  0.508723  1
  Ni  Ni181  1  0.420770  0.326831  0.551027  1
  Ni  Ni182  1  0.431059  0.971867  0.566889  1
  Ni  Ni183  1  0.577097  0.015115  0.535107  1
  Ni  Ni184  1  0.754103  0.993497  0.551027  1
  Ni  Ni185  1  0.410430  0.681782  0.535107  1
  Ni  Ni186  1  0.587437  0.660164  0.551027  1
  Ni  Ni187  1  0.597726  0.305201  0.566889  1
  Ni  Ni188  1  0.743764  0.348449  0.535107  1
  Ni  Ni189  1  0.920770  0.326831  0.551027  1
  Ni  Ni190  1  0.931059  0.971867  0.566889  1
  Ni  Ni191  1  0.077097  0.015115  0.535107  1
  Ni  Ni192  1  0.254103  0.993497  0.551027  1
  Ni  Ni193  1  0.764392  0.638534  0.566889  1
  Ni  Ni194  1  0.910430  0.681782  0.535107  1
  Ni  Ni195  1  0.087437  0.660164  0.551027  1
  Ni  Ni196  1  0.097726  0.305201  0.566889  1
  Ni  Ni197  1  0.243764  0.348449  0.535107  1
  Ni  Ni198  1  0.264392  0.638534  0.566889  1
  Ni  Ni199  1  0.468614  0.507642  0.540607  1
  Ni  Ni200  1  0.478913  0.152716  0.556526  1
  Ni  Ni201  1  0.624905  0.195990  0.524655  1
  Ni  Ni202  1  0.801947  0.174308  0.540607  1
  Ni  Ni203  1  0.458238  0.862657  0.524655  1
  Ni  Ni204  1  0.635280  0.840975  0.540607  1
  Ni  Ni205  1  0.645580  0.486050  0.556526  1
  Ni  Ni206  1  0.791571  0.529323  0.524655  1
  Ni  Ni207  1  0.968614  0.507642  0.540607  1
  Ni  Ni208  1  0.978913  0.152716  0.556526  1
  Ni  Ni209  1  0.124905  0.195990  0.524655  1
  Ni  Ni210  1  0.301947  0.174308  0.540607  1
  Ni  Ni211  1  0.812246  0.819383  0.556526  1
  Ni  Ni212  1  0.958238  0.862657  0.524655  1
  Ni  Ni213  1  0.135280  0.840975  0.540607  1
  Ni  Ni214  1  0.145580  0.486050  0.556526  1
  Ni  Ni215  1  0.291571  0.529323  0.524655  1
  Ni  Ni216  1  0.312246  0.819383  0.556526  1
  Ni  Ni217  1  0.451604  0.261971  0.598811  1
  Ni  Ni218  1  0.461944  0.907106  0.614467  1
  Ni  Ni219  1  0.608156  0.950008  0.582891  1
  Ni  Ni220  1  0.784937  0.928637  0.598811  1
  Ni  Ni221  1  0.441489  0.616674  0.582891  1
  Ni  Ni222  1  0.618270  0.595304  0.598811  1
  Ni  Ni223  1  0.628610  0.240440  0.614467  1
  Ni  Ni224  1  0.774823  0.283341  0.582891  1
  Ni  Ni225  1  0.951604  0.261971  0.598811  1
  Ni  Ni226  1  0.961944  0.907106  0.614467  1
  Ni  Ni227  1  0.108156  0.950008  0.582891  1
  Ni  Ni228  1  0.284937  0.928637  0.598811  1
  Ni  Ni229  1  0.795277  0.573773  0.614467  1
  Ni  Ni230  1  0.941489  0.616674  0.582891  1
  Ni  Ni231  1  0.118270  0.595304  0.598811  1
  Ni  Ni232  1  0.128610  0.240440  0.614467  1
  Ni  Ni233  1  0.274823  0.283341  0.582891  1
  Ni  Ni234  1  0.295277  0.573773  0.614467  1
  Ni  Ni235  1  0.499674  0.442543  0.588499  1
  Ni  Ni236  1  0.510018  0.087713  0.604286  1
  Ni  Ni237  1  0.656020  0.130861  0.572451  1
  Ni  Ni238  1  0.833007  0.109210  0.588499  1
  Ni  Ni239  1  0.489353  0.797528  0.572451  1
  Ni  Ni240  1  0.666341  0.775876  0.588499  1
  Ni  Ni241  1  0.676685  0.421046  0.604286  1
  Ni  Ni242  1  0.822686  0.464194  0.572451  1
  Ni  Ni243  1  0.999674  0.442543  0.588499  1
  Ni  Ni244  1  0.010018  0.087713  0.604286  1
  Ni  Ni245  1  0.156020  0.130861  0.572451  1
  Ni  Ni246  1  0.333007  0.109210  0.588499  1
  Ni  Ni247  1  0.843352  0.754379  0.604286  1
  Ni  Ni248  1  0.989353  0.797528  0.572451  1
  Ni  Ni249  1  0.166341  0.775876  0.588499  1
  Ni  Ni250  1  0.176685  0.421046  0.604286  1
  Ni  Ni251  1  0.322686  0.464194  0.572451  1
  Ni  Ni252  1  0.343352  0.754379  0.604286  1
  Ni  Ni253  1  0.482520  0.196987  0.646262  1
  Ni  Ni254  1  0.491363  0.842364  0.661453  1
  Ni  Ni255  1  0.638697  0.884534  0.630783  1
  Ni  Ni256  1  0.815853  0.863654  0.646262  1
  Ni  Ni257  1  0.472030  0.551200  0.630783  1
  Ni  Ni258  1  0.649187  0.530320  0.646262  1
  Ni  Ni259  1  0.658029  0.175698  0.661453  1
  Ni  Ni260  1  0.805363  0.217867  0.630783  1
  Ni  Ni261  1  0.982520  0.196987  0.646262  1
  Ni  Ni262  1  0.991363  0.842364  0.661453  1
  Ni  Ni263  1  0.138697  0.884534  0.630783  1
  Ni  Ni264  1  0.315853  0.863654  0.646262  1
  Ni  Ni265  1  0.824696  0.509031  0.661453  1
  Ni  Ni266  1  0.972030  0.551200  0.630783  1
  Ni  Ni267  1  0.149187  0.530320  0.646262  1
  Ni  Ni268  1  0.158029  0.175698  0.661453  1
  Ni  Ni269  1  0.305363  0.217867  0.630783  1
  Ni  Ni270  1  0.324696  0.509031  0.661453  1
  Ni  Ni271  1  0.531239  0.377527  0.636518  1
  Ni  Ni272  1  0.540344  0.022595  0.651963  1
  Ni  Ni273  1  0.686992  0.065331  0.620317  1
  Ni  Ni274  1  0.864572  0.044194  0.636518  1
  Ni  Ni275  1  0.520325  0.731998  0.620317  1
  Ni  Ni276  1  0.697906  0.710861  0.636518  1
  Ni  Ni277  1  0.707010  0.355928  0.651963  1
  Ni  Ni278  1  0.853658  0.398665  0.620317  1
  Ni  Ni279  1  0.031239  0.377527  0.636518  1
  Ni  Ni280  1  0.040344  0.022595  0.651963  1
  Ni  Ni281  1  0.186992  0.065331  0.620317  1
  Ni  Ni282  1  0.364572  0.044194  0.636518  1
  Ni  Ni283  1  0.873677  0.689261  0.651963  1
  Ni  Ni284  1  0.020325  0.731998  0.620317  1
  Ni  Ni285  1  0.197906  0.710861  0.636518  1
  Ni  Ni286  1  0.207010  0.355928  0.651963  1
  Ni  Ni287  1  0.353658  0.398665  0.620317  1
  Ni  Ni288  1  0.373677  0.689261  0.651963  1
  Ni  Ni289  1  0.512051  0.130688  0.692970  1
  Ni  Ni290  1  0.520132  0.775651  0.706759  1
  Ni  Ni291  1  0.670505  0.820654  0.678648  1
  Ni  Ni292  1  0.845385  0.797355  0.692970  1
  Ni  Ni293  1  0.503838  0.487320  0.678648  1
  Ni  Ni294  1  0.678718  0.464022  0.692970  1
  Ni  Ni295  1  0.686798  0.108985  0.706759  1
  Ni  Ni296  1  0.837171  0.153987  0.678648  1
  Ni  Ni297  1  0.012051  0.130688  0.692970  1
  Ni  Ni298  1  0.020132  0.775651  0.706759  1
  Ni  Ni299  1  0.170505  0.820654  0.678648  1
  Ni  Ni300  1  0.345385  0.797355  0.692970  1
  Ni  Ni301  1  0.853465  0.442318  0.706759  1
  Ni  Ni302  1  1.003838  0.487320  0.678648  1
  Ni  Ni303  1  0.178718  0.464022  0.692970  1
  Ni  Ni304  1  0.186798  0.108985  0.706759  1
  Ni  Ni305  1  0.337171  0.153987  0.678648  1
  Ni  Ni306  1  0.353465  0.442318  0.706759  1
  Ni  Ni307  1  0.559944  0.310728  0.684745  1
  Ni  Ni308  1  0.571640  0.956187  0.697997  1
  Ni  Ni309  1  0.718462  1.000082  0.667866  1
  Ni  Ni310  1  0.893277  0.977395  0.684745  1
  Ni  Ni311  1  0.551795  0.666748  0.667866  1
  Ni  Ni312  1  0.726610  0.644062  0.684745  1
  Ni  Ni313  1  0.738306  0.289520  0.697997  1
  Ni  Ni314  1  0.885129  0.333415  0.667866  1
  Ni  Ni315  1  0.059944  0.310728  0.684745  1
  Ni  Ni316  1  0.071640  0.956187  0.697997  1
  Ni  Ni317  1  0.218462  1.000082  0.667866  1
  Ni  Ni318  1  0.393277  0.977395  0.684745  1
  Ni  Ni319  1  0.904973  0.622853  0.697997  1
  Ni  Ni320  1  0.051795  0.666748  0.667866  1
  Ni  Ni321  1  0.226610  0.644062  0.684745  1
  Ni  Ni322  1  0.238306  0.289520  0.697997  1
  Ni  Ni323  1  0.385129  0.333415  0.667866  1
  Ni  Ni324  1  0.404973  0.622853  0.697997  1
