# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.81201417
_cell_length_b   13.34308642
_cell_length_c   46.08690463
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.61256824
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   6344.94782559
_cell_formula_units_Z   252
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  0.808731  0.664568  0.295745  1
  Ni  Ni2  1  0.142065  0.331235  0.295745  1
  Ni  Ni3  1  0.202675  0.675038  0.285526  1
  Ni  Ni4  1  0.418683  0.654481  0.304602  1
  Ni  Ni5  1  0.752016  0.321148  0.304602  1
  Ni  Ni6  1  0.085350  0.987815  0.304602  1
  Ni  Ni7  1  0.475398  0.997902  0.295745  1
  Ni  Ni8  1  0.536008  0.341705  0.285526  1
  Ni  Ni9  1  0.869342  0.008372  0.285526  1
  Ni  Ni10  1  0.826290  0.481501  0.311355  1
  Ni  Ni11  1  0.159624  0.148168  0.311355  1
  Ni  Ni12  1  0.217612  0.491539  0.301121  1
  Ni  Ni13  1  0.607827  0.500158  0.291740  1
  Ni  Ni14  1  0.941161  0.166825  0.291740  1
  Ni  Ni15  1  0.274494  0.833491  0.291740  1
  Ni  Ni16  1  0.492957  0.814835  0.311355  1
  Ni  Ni17  1  0.550946  0.158206  0.301121  1
  Ni  Ni18  1  0.884279  0.824873  0.301121  1
  Ni  Ni19  1  0.636000  0.635681  0.325337  1
  Ni  Ni20  1  0.969334  0.302348  0.325337  1
  Ni  Ni21  1  0.026609  0.644842  0.314686  1
  Ni  Ni22  1  0.243847  0.627816  0.335706  1
  Ni  Ni23  1  0.577181  0.294482  0.335706  1
  Ni  Ni24  1  0.910514  0.961149  0.335706  1
  Ni  Ni25  1  0.302667  0.969015  0.325337  1
  Ni  Ni26  1  0.359942  0.311508  0.314686  1
  Ni  Ni27  1  0.693275  0.978175  0.314686  1
  Ni  Ni28  1  0.650949  0.454403  0.342238  1
  Ni  Ni29  1  0.984283  0.121070  0.342238  1
  Ni  Ni30  1  0.042687  0.464415  0.331909  1
  Ni  Ni31  1  0.432781  0.473299  0.321542  1
  Ni  Ni32  1  0.766114  0.139966  0.321542  1
  Ni  Ni33  1  0.099447  0.806633  0.321542  1
  Ni  Ni34  1  0.317616  0.787737  0.342238  1
  Ni  Ni35  1  0.376020  0.131082  0.331909  1
  Ni  Ni36  1  0.709354  0.797749  0.331909  1
  Ni  Ni37  1  0.461250  0.609407  0.356166  1
  Ni  Ni38  1  0.794583  0.276074  0.356166  1
  Ni  Ni39  1  0.852377  0.618443  0.346180  1
  Ni  Ni40  1  0.069729  0.600726  0.366564  1
  Ni  Ni41  1  0.403062  0.267393  0.366564  1
  Ni  Ni42  1  0.736395  0.934059  0.366564  1
  Ni  Ni43  1  0.127917  0.942741  0.356166  1
  Ni  Ni44  1  0.185710  0.285110  0.346180  1
  Ni  Ni45  1  0.519043  0.951777  0.346180  1
  Ni  Ni46  1  0.475699  0.428254  0.373441  1
  Ni  Ni47  1  0.809032  0.094921  0.373441  1
  Ni  Ni48  1  0.867490  0.436954  0.363007  1
  Ni  Ni49  1  0.258920  0.445582  0.352499  1
  Ni  Ni50  1  0.592253  0.112249  0.352499  1
  Ni  Ni51  1  0.925586  0.778916  0.352499  1
  Ni  Ni52  1  0.142365  0.761587  0.373441  1
  Ni  Ni53  1  0.200823  0.103621  0.363007  1
  Ni  Ni54  1  0.534157  0.770287  0.363007  1
  Ni  Ni55  1  0.286789  0.582509  0.387570  1
  Ni  Ni56  1  0.620123  0.249175  0.387570  1
  Ni  Ni57  1  0.678130  0.591486  0.377072  1
  Ni  Ni58  1  0.895335  0.573640  0.398058  1
  Ni  Ni59  1  0.228669  0.240307  0.398058  1
  Ni  Ni60  1  0.562002  0.906974  0.398058  1
  Ni  Ni61  1  0.953456  0.915842  0.387570  1
  Ni  Ni62  1  0.011463  0.258153  0.377072  1
  Ni  Ni63  1  0.344796  0.924820  0.377072  1
  Ni  Ni64  1  0.301383  0.401037  0.404822  1
  Ni  Ni65  1  0.634717  0.067704  0.404822  1
  Ni  Ni66  1  0.692993  0.409909  0.394418  1
  Ni  Ni67  1  0.084157  0.419271  0.383889  1
  Ni  Ni68  1  0.417490  0.085938  0.383889  1
  Ni  Ni69  1  0.750824  0.752604  0.383889  1
  Ni  Ni70  1  0.968050  0.734371  0.404822  1
  Ni  Ni71  1  0.026326  0.076575  0.394418  1
  Ni  Ni72  1  0.359660  0.743242  0.394418  1
  Ni  Ni73  1  0.112449  0.555707  0.418847  1
  Ni  Ni74  1  0.445782  0.222374  0.418847  1
  Ni  Ni75  1  0.503954  0.564619  0.408419  1
  Ni  Ni76  1  0.721052  0.546674  0.429327  1
  Ni  Ni77  1  0.054386  0.213341  0.429327  1
  Ni  Ni78  1  0.387719  0.880008  0.429327  1
  Ni  Ni79  1  0.779116  0.889041  0.418847  1
  Ni  Ni80  1  0.837287  0.231286  0.408419  1
  Ni  Ni81  1  0.170620  0.897952  0.408419  1
  Ni  Ni82  1  0.127028  0.374172  0.436217  1
  Ni  Ni83  1  0.460362  0.040839  0.436217  1
  Ni  Ni84  1  0.518484  0.383097  0.425755  1
  Ni  Ni85  1  0.910028  0.392033  0.415304  1
  Ni  Ni86  1  0.243362  0.058699  0.415304  1
  Ni  Ni87  1  0.576695  0.725366  0.415304  1
  Ni  Ni88  1  0.793695  0.707505  0.436217  1
  Ni  Ni89  1  0.851817  0.049763  0.425755  1
  Ni  Ni90  1  0.185150  0.716430  0.425755  1
  Ni  Ni91  1  0.938167  0.528761  0.450250  1
  Ni  Ni92  1  0.271500  0.195427  0.450250  1
  Ni  Ni93  1  0.329605  0.537714  0.439785  1
  Ni  Ni94  1  0.546733  0.519773  0.460677  1
  Ni  Ni95  1  0.880067  0.186440  0.460677  1
  Ni  Ni96  1  0.213400  0.853106  0.460677  1
  Ni  Ni97  1  0.604833  0.862094  0.450250  1
  Ni  Ni98  1  0.662938  0.204381  0.439785  1
  Ni  Ni99  1  0.996272  0.871047  0.439785  1
  Ni  Ni100  1  0.952739  0.347184  0.467592  1
  Ni  Ni101  1  0.286072  0.013851  0.467592  1
  Ni  Ni102  1  0.344161  0.356169  0.457127  1
  Ni  Ni103  1  0.735636  0.365111  0.446690  1
  Ni  Ni104  1  0.068969  0.031778  0.446690  1
  Ni  Ni105  1  0.402302  0.698444  0.446690  1
  Ni  Ni106  1  0.619405  0.680517  0.467592  1
  Ni  Ni107  1  0.677494  0.022835  0.457127  1
  Ni  Ni108  1  0.010828  0.689502  0.457127  1
  Ni  Ni109  1  0.763844  0.501850  0.481586  1
  Ni  Ni110  1  0.097177  0.168516  0.481586  1
  Ni  Ni111  1  0.155282  0.510838  0.471124  1
  Ni  Ni112  1  0.372410  0.492878  0.492041  1
  Ni  Ni113  1  0.705743  0.159545  0.492041  1
  Ni  Ni114  1  0.039076  0.826212  0.492041  1
  Ni  Ni115  1  0.430511  0.835183  0.481586  1
  Ni  Ni116  1  0.488616  0.177505  0.471124  1
  Ni  Ni117  1  0.821949  0.844172  0.471124  1
  Ni  Ni118  1  0.778409  0.320272  0.498952  1
  Ni  Ni119  1  0.111742  0.986938  0.498952  1
  Ni  Ni120  1  0.169837  0.329273  0.488500  1
  Ni  Ni121  1  0.561279  0.338220  0.478046  1
  Ni  Ni122  1  0.894612  0.004887  0.478046  1
  Ni  Ni123  1  0.227945  0.671554  0.478046  1
  Ni  Ni124  1  0.445075  0.653605  0.498952  1
  Ni  Ni125  1  0.503170  0.995939  0.488500  1
  Ni  Ni126  1  0.836504  0.662606  0.488500  1
  Ni  Ni127  1  0.589536  0.474922  0.512946  1
  Ni  Ni128  1  0.922870  0.141589  0.512946  1
  Ni  Ni129  1  0.980965  0.483923  0.502494  1
  Ni  Ni130  1  0.198095  0.465975  0.523400  1
  Ni  Ni131  1  0.531428  0.132641  0.523400  1
  Ni  Ni132  1  0.864761  0.799308  0.523400  1
  Ni  Ni133  1  0.256203  0.808256  0.512946  1
  Ni  Ni134  1  0.314298  0.150590  0.502494  1
  Ni  Ni135  1  0.647631  0.817257  0.502494  1
  Ni  Ni136  1  0.604091  0.293357  0.530322  1
  Ni  Ni137  1  0.937424  0.960023  0.530322  1
  Ni  Ni138  1  0.995529  0.302345  0.519860  1
  Ni  Ni139  1  0.386964  0.311317  0.509404  1
  Ni  Ni140  1  0.720297  0.977984  0.509404  1
  Ni  Ni141  1  0.053630  0.644650  0.509404  1
  Ni  Ni142  1  0.270758  0.626690  0.530322  1
  Ni  Ni143  1  0.328863  0.969012  0.519860  1
  Ni  Ni144  1  0.662196  0.635679  0.519860  1
  Ni  Ni145  1  0.415212  0.448026  0.544319  1
  Ni  Ni146  1  0.748546  0.114693  0.544319  1
  Ni  Ni147  1  0.806635  0.457011  0.533854  1
  Ni  Ni148  1  0.023738  0.439084  0.554756  1
  Ni  Ni149  1  0.357071  0.105751  0.554756  1
  Ni  Ni150  1  0.690404  0.772417  0.554756  1
  Ni  Ni151  1  0.081879  0.781360  0.544319  1
  Ni  Ni152  1  0.139968  0.123678  0.533854  1
  Ni  Ni153  1  0.473301  0.790344  0.533854  1
  Ni  Ni154  1  0.429768  0.266481  0.561661  1
  Ni  Ni155  1  0.763102  0.933148  0.561661  1
  Ni  Ni156  1  0.821207  0.275434  0.551196  1
  Ni  Ni157  1  0.212640  0.284422  0.540769  1
  Ni  Ni158  1  0.545973  0.951089  0.540769  1
  Ni  Ni159  1  0.879307  0.617756  0.540769  1
  Ni  Ni160  1  0.096435  0.599815  0.561661  1
  Ni  Ni161  1  0.154540  0.942101  0.551196  1
  Ni  Ni162  1  0.487873  0.608768  0.551196  1
  Ni  Ni163  1  0.240890  0.421098  0.575691  1
  Ni  Ni164  1  0.574223  0.087765  0.575691  1
  Ni  Ni165  1  0.632345  0.430023  0.565228  1
  Ni  Ni166  1  0.849345  0.412162  0.586141  1
  Ni  Ni167  1  0.182678  0.078829  0.586141  1
  Ni  Ni168  1  0.516011  0.745496  0.586141  1
  Ni  Ni169  1  0.907556  0.754432  0.575691  1
  Ni  Ni170  1  0.965678  0.096690  0.565228  1
  Ni  Ni171  1  0.299012  0.763357  0.565228  1
  Ni  Ni172  1  0.255420  0.239576  0.593027  1
  Ni  Ni173  1  0.588753  0.906243  0.593027  1
  Ni  Ni174  1  0.646924  0.248488  0.582599  1
  Ni  Ni175  1  0.038321  0.257521  0.572119  1
  Ni  Ni176  1  0.371654  0.924187  0.572119  1
  Ni  Ni177  1  0.704987  0.590854  0.572119  1
  Ni  Ni178  1  0.922086  0.572909  0.593027  1
  Ni  Ni179  1  0.980258  0.915154  0.582599  1
  Ni  Ni180  1  0.313591  0.581821  0.582599  1
  Ni  Ni181  1  0.066380  0.394286  0.607028  1
  Ni  Ni182  1  0.399714  0.060953  0.607028  1
  Ni  Ni183  1  0.457990  0.403158  0.596624  1
  Ni  Ni184  1  0.675216  0.384924  0.617557  1
  Ni  Ni185  1  0.008550  0.051591  0.617557  1
  Ni  Ni186  1  0.341883  0.718257  0.617557  1
  Ni  Ni187  1  0.733047  0.727620  0.607028  1
  Ni  Ni188  1  0.791323  0.069824  0.596624  1
  Ni  Ni189  1  0.124657  0.736491  0.596624  1
  Ni  Ni190  1  0.081244  0.212709  0.624373  1
  Ni  Ni191  1  0.414577  0.879375  0.624373  1
  Ni  Ni192  1  0.472584  0.221686  0.613875  1
  Ni  Ni193  1  0.864038  0.230555  0.603387  1
  Ni  Ni194  1  0.197371  0.897221  0.603387  1
  Ni  Ni195  1  0.530704  0.563888  0.603387  1
  Ni  Ni196  1  0.747910  0.546042  0.624373  1
  Ni  Ni197  1  0.805917  0.888353  0.613875  1
  Ni  Ni198  1  0.139251  0.555020  0.613875  1
  Ni  Ni199  1  0.891883  0.367241  0.638439  1
  Ni  Ni200  1  0.225216  0.033908  0.638439  1
  Ni  Ni201  1  0.283675  0.375941  0.628004  1
  Ni  Ni202  1  0.500453  0.358613  0.648946  1
  Ni  Ni203  1  0.833787  0.025279  0.648946  1
  Ni  Ni204  1  0.167120  0.691946  0.648946  1
  Ni  Ni205  1  0.558550  0.700574  0.638439  1
  Ni  Ni206  1  0.617008  0.042608  0.628004  1
  Ni  Ni207  1  0.950341  0.709274  0.628004  1
  Ni  Ni208  1  0.906997  0.185752  0.655266  1
  Ni  Ni209  1  0.240330  0.852418  0.655266  1
  Ni  Ni210  1  0.298123  0.194788  0.645279  1
  Ni  Ni211  1  0.689644  0.203469  0.634882  1
  Ni  Ni212  1  0.022978  0.870136  0.634882  1
  Ni  Ni213  1  0.356311  0.536802  0.634882  1
  Ni  Ni214  1  0.573663  0.519085  0.655266  1
  Ni  Ni215  1  0.631457  0.861454  0.645279  1
  Ni  Ni216  1  0.964790  0.528121  0.645279  1
  Ni  Ni217  1  0.716686  0.339780  0.669537  1
  Ni  Ni218  1  0.050020  0.006446  0.669537  1
  Ni  Ni219  1  0.108424  0.349792  0.659208  1
  Ni  Ni220  1  0.326593  0.330896  0.679904  1
  Ni  Ni221  1  0.659926  0.997562  0.679904  1
  Ni  Ni222  1  0.993259  0.664229  0.679904  1
  Ni  Ni223  1  0.383353  0.673113  0.669537  1
  Ni  Ni224  1  0.441757  0.016458  0.659208  1
  Ni  Ni225  1  0.775091  0.683125  0.659208  1
  Ni  Ni226  1  0.732765  0.159353  0.686760  1
  Ni  Ni227  1  0.066098  0.826020  0.686760  1
  Ni  Ni228  1  0.123373  0.168514  0.676109  1
  Ni  Ni229  1  0.515526  0.176379  0.665740  1
  Ni  Ni230  1  0.848859  0.843046  0.665740  1
  Ni  Ni231  1  0.182192  0.509713  0.665740  1
  Ni  Ni232  1  0.399431  0.492687  0.686760  1
  Ni  Ni233  1  0.456706  0.835180  0.676109  1
  Ni  Ni234  1  0.790040  0.501847  0.676109  1
  Ni  Ni235  1  0.541761  0.312656  0.700325  1
  Ni  Ni236  1  0.875094  0.979322  0.700325  1
  Ni  Ni237  1  0.933083  0.322694  0.690091  1
  Ni  Ni238  1  0.151546  0.304037  0.709705  1
  Ni  Ni239  1  0.484879  0.970704  0.709705  1
  Ni  Ni240  1  0.818213  0.637370  0.709705  1
  Ni  Ni241  1  0.208428  0.645989  0.700325  1
  Ni  Ni242  1  0.266416  0.989360  0.690091  1
  Ni  Ni243  1  0.599750  0.656027  0.690091  1
  Ni  Ni244  1  0.556698  0.129157  0.715920  1
  Ni  Ni245  1  0.890031  0.795823  0.715920  1
  Ni  Ni246  1  0.950642  0.139627  0.705701  1
  Ni  Ni247  1  0.340690  0.149714  0.696844  1
  Ni  Ni248  1  0.674024  0.816380  0.696844  1
  Ni  Ni249  1  0.007357  0.483047  0.696844  1
  Ni  Ni250  1  0.223365  0.462490  0.715920  1
  Ni  Ni251  1  0.283975  0.806293  0.705701  1
  Ni  Ni252  1  0.617309  0.472960  0.705701  1
