# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12039367
_cell_length_b   13.20371258
_cell_length_c   47.80149066
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.07659194
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8260.07843783
_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  0.265214  0.631079  0.312738  1
  Ni  Ni2  1  0.273408  0.275800  0.329533  1
  Ni  Ni3  1  0.420866  0.321753  0.297815  1
  Ni  Ni4  1  0.598548  0.297746  0.312738  1
  Ni  Ni5  1  0.254200  0.988420  0.297815  1
  Ni  Ni6  1  0.431881  0.964412  0.312738  1
  Ni  Ni7  1  0.440074  0.609133  0.329533  1
  Ni  Ni8  1  0.587533  0.655086  0.297815  1
  Ni  Ni9  1  0.765214  0.631079  0.312738  1
  Ni  Ni10  1  0.773408  0.275800  0.329533  1
  Ni  Ni11  1  0.920866  0.321753  0.297815  1
  Ni  Ni12  1  0.098548  0.297746  0.312738  1
  Ni  Ni13  1  0.606741  0.942466  0.329533  1
  Ni  Ni14  1  0.754200  0.988420  0.297815  1
  Ni  Ni15  1  0.931881  0.964412  0.312738  1
  Ni  Ni16  1  0.940074  0.609133  0.329533  1
  Ni  Ni17  1  0.087533  0.655086  0.297815  1
  Ni  Ni18  1  0.106741  0.942466  0.329533  1
  Ni  Ni19  1  0.309273  0.811529  0.303181  1
  Ni  Ni20  1  0.318858  0.455184  0.318963  1
  Ni  Ni21  1  0.467045  0.504657  0.288229  1
  Ni  Ni22  1  0.642606  0.478196  0.303181  1
  Ni  Ni23  1  0.300378  0.171324  0.288229  1
  Ni  Ni24  1  0.475940  0.144862  0.303181  1
  Ni  Ni25  1  0.485524  0.788518  0.318963  1
  Ni  Ni26  1  0.633712  0.837991  0.288229  1
  Ni  Ni27  1  0.809273  0.811529  0.303181  1
  Ni  Ni28  1  0.818858  0.455184  0.318963  1
  Ni  Ni29  1  0.967045  0.504657  0.288229  1
  Ni  Ni30  1  0.142606  0.478196  0.303181  1
  Ni  Ni31  1  0.652191  0.121851  0.318963  1
  Ni  Ni32  1  0.800378  0.171324  0.288229  1
  Ni  Ni33  1  0.975940  0.144862  0.303181  1
  Ni  Ni34  1  0.985524  0.788518  0.318963  1
  Ni  Ni35  1  0.133712  0.837991  0.288229  1
  Ni  Ni36  1  0.152191  0.121851  0.318963  1
  Ni  Ni37  1  0.292809  0.562592  0.360853  1
  Ni  Ni38  1  0.303131  0.206651  0.377049  1
  Ni  Ni39  1  0.450119  0.252269  0.344858  1
  Ni  Ni40  1  0.626142  0.229259  0.360853  1
  Ni  Ni41  1  0.283452  0.918935  0.344858  1
  Ni  Ni42  1  0.459475  0.895926  0.360853  1
  Ni  Ni43  1  0.469797  0.539984  0.377049  1
  Ni  Ni44  1  0.616786  0.585602  0.344858  1
  Ni  Ni45  1  0.792809  0.562592  0.360853  1
  Ni  Ni46  1  0.803131  0.206651  0.377049  1
  Ni  Ni47  1  0.950119  0.252269  0.344858  1
  Ni  Ni48  1  0.126142  0.229259  0.360853  1
  Ni  Ni49  1  0.636464  0.873317  0.377049  1
  Ni  Ni50  1  0.783452  0.918935  0.344858  1
  Ni  Ni51  1  0.959475  0.895926  0.360853  1
  Ni  Ni52  1  0.969797  0.539984  0.377049  1
  Ni  Ni53  1  0.116786  0.585602  0.344858  1
  Ni  Ni54  1  0.136464  0.873317  0.377049  1
  Ni  Ni55  1  0.340282  0.744568  0.351016  1
  Ni  Ni56  1  0.351356  0.388218  0.366539  1
  Ni  Ni57  1  0.497187  0.434221  0.335115  1
  Ni  Ni58  1  0.673615  0.411235  0.351016  1
  Ni  Ni59  1  0.330520  0.100888  0.335115  1
  Ni  Ni60  1  0.506948  0.077902  0.351016  1
  Ni  Ni61  1  0.518023  0.721551  0.366539  1
  Ni  Ni62  1  0.663853  0.767554  0.335115  1
  Ni  Ni63  1  0.840282  0.744568  0.351016  1
  Ni  Ni64  1  0.851356  0.388218  0.366539  1
  Ni  Ni65  1  0.997187  0.434221  0.335115  1
  Ni  Ni66  1  0.173615  0.411235  0.351016  1
  Ni  Ni67  1  0.684690  0.054884  0.366539  1
  Ni  Ni68  1  0.830520  0.100888  0.335115  1
  Ni  Ni69  1  0.006948  0.077902  0.351016  1
  Ni  Ni70  1  0.018023  0.721551  0.366539  1
  Ni  Ni71  1  0.163853  0.767554  0.335115  1
  Ni  Ni72  1  0.184690  0.054884  0.366539  1
  Ni  Ni73  1  0.323264  0.494123  0.408729  1
  Ni  Ni74  1  0.333568  0.137927  0.424685  1
  Ni  Ni75  1  0.479767  0.183792  0.392898  1
  Ni  Ni76  1  0.656598  0.160789  0.408729  1
  Ni  Ni77  1  0.313100  0.850459  0.392898  1
  Ni  Ni78  1  0.489931  0.827456  0.408729  1
  Ni  Ni79  1  0.500234  0.471260  0.424685  1
  Ni  Ni80  1  0.646434  0.517126  0.392898  1
  Ni  Ni81  1  0.823264  0.494123  0.408729  1
  Ni  Ni82  1  0.833568  0.137927  0.424685  1
  Ni  Ni83  1  0.979767  0.183792  0.392898  1
  Ni  Ni84  1  0.156598  0.160789  0.408729  1
  Ni  Ni85  1  0.666901  0.804594  0.424685  1
  Ni  Ni86  1  0.813100  0.850459  0.392898  1
  Ni  Ni87  1  0.989931  0.827456  0.408729  1
  Ni  Ni88  1  1.000234  0.471260  0.424685  1
  Ni  Ni89  1  0.146434  0.517126  0.392898  1
  Ni  Ni90  1  0.166901  0.804594  0.424685  1
  Ni  Ni91  1  0.371685  0.675699  0.398305  1
  Ni  Ni92  1  0.381915  0.319771  0.414212  1
  Ni  Ni93  1  0.528010  0.365050  0.382485  1
  Ni  Ni94  1  0.705018  0.342366  0.398305  1
  Ni  Ni95  1  0.361343  0.031717  0.382485  1
  Ni  Ni96  1  0.538352  0.009032  0.398305  1
  Ni  Ni97  1  0.548582  0.653104  0.414212  1
  Ni  Ni98  1  0.694677  0.698383  0.382485  1
  Ni  Ni99  1  0.871685  0.675699  0.398305  1
  Ni  Ni100  1  0.881915  0.319771  0.414212  1
  Ni  Ni101  1  0.028010  0.365050  0.382485  1
  Ni  Ni102  1  0.205018  0.342366  0.398305  1
  Ni  Ni103  1  0.715249  0.986438  0.414212  1
  Ni  Ni104  1  0.861343  0.031717  0.382485  1
  Ni  Ni105  1  0.038352  0.009032  0.398305  1
  Ni  Ni106  1  0.048582  0.653104  0.414212  1
  Ni  Ni107  1  0.194677  0.698383  0.382485  1
  Ni  Ni108  1  0.215249  0.986438  0.414212  1
  Ni  Ni109  1  0.354049  0.425570  0.456442  1
  Ni  Ni110  1  0.364326  0.069378  0.472332  1
  Ni  Ni111  1  0.510499  0.115052  0.440551  1
  Ni  Ni112  1  0.687382  0.092237  0.456442  1
  Ni  Ni113  1  0.343832  0.781719  0.440551  1
  Ni  Ni114  1  0.520716  0.758904  0.456442  1
  Ni  Ni115  1  0.530993  0.402712  0.472332  1
  Ni  Ni116  1  0.677165  0.448386  0.440551  1
  Ni  Ni117  1  0.854049  0.425570  0.456442  1
  Ni  Ni118  1  0.864326  0.069378  0.472332  1
  Ni  Ni119  1  0.010499  0.115052  0.440551  1
  Ni  Ni120  1  0.187382  0.092237  0.456442  1
  Ni  Ni121  1  0.697660  0.736045  0.472332  1
  Ni  Ni122  1  0.843832  0.781719  0.440551  1
  Ni  Ni123  1  0.020716  0.758904  0.456442  1
  Ni  Ni124  1  0.030993  0.402712  0.472332  1
  Ni  Ni125  1  0.177165  0.448386  0.440551  1
  Ni  Ni126  1  0.197660  0.736045  0.472332  1
  Ni  Ni127  1  0.402426  0.607296  0.445933  1
  Ni  Ni128  1  0.412697  0.251158  0.461821  1
  Ni  Ni129  1  0.558866  0.296829  0.430084  1
  Ni  Ni130  1  0.735759  0.273963  0.445933  1
  Ni  Ni131  1  0.392199  0.963496  0.430084  1
  Ni  Ni132  1  0.569093  0.940629  0.445933  1
  Ni  Ni133  1  0.579363  0.584491  0.461821  1
  Ni  Ni134  1  0.725533  0.630163  0.430084  1
  Ni  Ni135  1  0.902426  0.607296  0.445933  1
  Ni  Ni136  1  0.912697  0.251158  0.461821  1
  Ni  Ni137  1  0.058866  0.296829  0.430084  1
  Ni  Ni138  1  0.235759  0.273963  0.445933  1
  Ni  Ni139  1  0.746030  0.917824  0.461821  1
  Ni  Ni140  1  0.892199  0.963496  0.430084  1
  Ni  Ni141  1  0.069093  0.940629  0.445933  1
  Ni  Ni142  1  0.079363  0.584491  0.461821  1
  Ni  Ni143  1  0.225533  0.630163  0.430084  1
  Ni  Ni144  1  0.246030  0.917824  0.461821  1
  Ni  Ni145  1  0.384848  0.357007  0.504091  1
  Ni  Ni146  1  0.395116  1.000835  0.519967  1
  Ni  Ni147  1  0.541251  0.046511  0.488206  1
  Ni  Ni148  1  0.718181  0.023674  0.504091  1
  Ni  Ni149  1  0.374585  0.713178  0.488206  1
  Ni  Ni150  1  0.551515  0.690341  0.504091  1
  Ni  Ni151  1  0.561782  0.334168  0.519967  1
  Ni  Ni152  1  0.707918  0.379845  0.488206  1
  Ni  Ni153  1  0.884848  0.357007  0.504091  1
  Ni  Ni154  1  0.895116  1.000835  0.519967  1
  Ni  Ni155  1  0.041251  0.046511  0.488206  1
  Ni  Ni156  1  0.218181  0.023674  0.504091  1
  Ni  Ni157  1  0.728449  0.667502  0.519967  1
  Ni  Ni158  1  0.874585  0.713178  0.488206  1
  Ni  Ni159  1  0.051515  0.690341  0.504091  1
  Ni  Ni160  1  0.061782  0.334168  0.519967  1
  Ni  Ni161  1  0.207918  0.379845  0.488206  1
  Ni  Ni162  1  0.228449  0.667502  0.519967  1
  Ni  Ni163  1  0.433218  0.538798  0.493576  1
  Ni  Ni164  1  0.443481  0.182627  0.509461  1
  Ni  Ni165  1  0.589616  0.228304  0.477699  1
  Ni  Ni166  1  0.766551  0.205465  0.493576  1
  Ni  Ni167  1  0.422950  0.894970  0.477699  1
  Ni  Ni168  1  0.599884  0.872131  0.493576  1
  Ni  Ni169  1  0.610148  0.515961  0.509461  1
  Ni  Ni170  1  0.756283  0.561637  0.477699  1
  Ni  Ni171  1  0.933218  0.538798  0.493576  1
  Ni  Ni172  1  0.943481  0.182627  0.509461  1
  Ni  Ni173  1  0.089616  0.228304  0.477699  1
  Ni  Ni174  1  0.266551  0.205465  0.493576  1
  Ni  Ni175  1  0.776814  0.849294  0.509461  1
  Ni  Ni176  1  0.922950  0.894970  0.477699  1
  Ni  Ni177  1  0.099884  0.872131  0.493576  1
  Ni  Ni178  1  0.110148  0.515961  0.509461  1
  Ni  Ni179  1  0.256283  0.561637  0.477699  1
  Ni  Ni180  1  0.276814  0.849294  0.509461  1
  Ni  Ni181  1  0.415640  0.288509  0.551733  1
  Ni  Ni182  1  0.425866  0.932309  0.567583  1
  Ni  Ni183  1  0.572036  0.977981  0.535846  1
  Ni  Ni184  1  0.748973  0.955176  0.551733  1
  Ni  Ni185  1  0.405369  0.644648  0.535846  1
  Ni  Ni186  1  0.582306  0.621843  0.551733  1
  Ni  Ni187  1  0.592533  0.265643  0.567583  1
  Ni  Ni188  1  0.738702  0.311314  0.535846  1
  Ni  Ni189  1  0.915640  0.288509  0.551733  1
  Ni  Ni190  1  0.925866  0.932309  0.567583  1
  Ni  Ni191  1  0.072036  0.977981  0.535846  1
  Ni  Ni192  1  0.248973  0.955176  0.551733  1
  Ni  Ni193  1  0.759200  0.598976  0.567583  1
  Ni  Ni194  1  0.905369  0.644648  0.535846  1
  Ni  Ni195  1  0.082306  0.621843  0.551733  1
  Ni  Ni196  1  0.092533  0.265643  0.567583  1
  Ni  Ni197  1  0.238702  0.311314  0.535846  1
  Ni  Ni198  1  0.259200  0.598976  0.567583  1
  Ni  Ni199  1  0.464016  0.470235  0.541224  1
  Ni  Ni200  1  0.474233  0.114086  0.557115  1
  Ni  Ni201  1  0.620406  0.159760  0.525335  1
  Ni  Ni202  1  0.797350  0.136902  0.541224  1
  Ni  Ni203  1  0.453739  0.826427  0.525335  1
  Ni  Ni204  1  0.630683  0.803568  0.541224  1
  Ni  Ni205  1  0.640900  0.447420  0.557115  1
  Ni  Ni206  1  0.787073  0.493094  0.525335  1
  Ni  Ni207  1  0.964016  0.470235  0.541224  1
  Ni  Ni208  1  0.974233  0.114086  0.557115  1
  Ni  Ni209  1  0.120406  0.159760  0.525335  1
  Ni  Ni210  1  0.297350  0.136902  0.541224  1
  Ni  Ni211  1  0.807567  0.780753  0.557115  1
  Ni  Ni212  1  0.953739  0.826427  0.525335  1
  Ni  Ni213  1  0.130683  0.803568  0.541224  1
  Ni  Ni214  1  0.140900  0.447420  0.557115  1
  Ni  Ni215  1  0.287073  0.493094  0.525335  1
  Ni  Ni216  1  0.307567  0.780753  0.557115  1
  Ni  Ni217  1  0.446381  0.220106  0.599361  1
  Ni  Ni218  1  0.456722  0.864089  0.615182  1
  Ni  Ni219  1  0.602817  0.909368  0.583454  1
  Ni  Ni220  1  0.779714  0.886773  0.599361  1
  Ni  Ni221  1  0.436150  0.576034  0.583454  1
  Ni  Ni222  1  0.613047  0.553440  0.599361  1
  Ni  Ni223  1  0.623389  0.197422  0.615182  1
  Ni  Ni224  1  0.769483  0.242701  0.583454  1
  Ni  Ni225  1  0.946381  0.220106  0.599361  1
  Ni  Ni226  1  0.956722  0.864089  0.615182  1
  Ni  Ni227  1  0.102817  0.909368  0.583454  1
  Ni  Ni228  1  0.279714  0.886773  0.599361  1
  Ni  Ni229  1  0.790055  0.530755  0.615182  1
  Ni  Ni230  1  0.936150  0.576034  0.583454  1
  Ni  Ni231  1  0.113047  0.553440  0.599361  1
  Ni  Ni232  1  0.123389  0.197422  0.615182  1
  Ni  Ni233  1  0.269483  0.242701  0.583454  1
  Ni  Ni234  1  0.290055  0.530755  0.615182  1
  Ni  Ni235  1  0.494801  0.401683  0.588937  1
  Ni  Ni236  1  0.504965  0.045346  0.604768  1
  Ni  Ni237  1  0.651164  0.091212  0.572982  1
  Ni  Ni238  1  0.828135  0.068349  0.588937  1
  Ni  Ni239  1  0.484498  0.757878  0.572982  1
  Ni  Ni240  1  0.661468  0.735016  0.588937  1
  Ni  Ni241  1  0.671632  0.378680  0.604768  1
  Ni  Ni242  1  0.817831  0.424545  0.572982  1
  Ni  Ni243  1  0.994801  0.401683  0.588937  1
  Ni  Ni244  1  0.004965  0.045346  0.604768  1
  Ni  Ni245  1  0.151164  0.091212  0.572982  1
  Ni  Ni246  1  0.328135  0.068349  0.588937  1
  Ni  Ni247  1  0.838298  0.712013  0.604768  1
  Ni  Ni248  1  0.984498  0.757878  0.572982  1
  Ni  Ni249  1  0.161468  0.735016  0.588937  1
  Ni  Ni250  1  0.171632  0.378680  0.604768  1
  Ni  Ni251  1  0.317831  0.424545  0.572982  1
  Ni  Ni252  1  0.338298  0.712013  0.604768  1
  Ni  Ni253  1  0.477784  0.151237  0.646650  1
  Ni  Ni254  1  0.487546  0.794918  0.662551  1
  Ni  Ni255  1  0.633376  0.840921  0.631128  1
  Ni  Ni256  1  0.811117  0.817904  0.646650  1
  Ni  Ni257  1  0.466709  0.507588  0.631128  1
  Ni  Ni258  1  0.644450  0.484570  0.646650  1
  Ni  Ni259  1  0.654212  0.128251  0.662551  1
  Ni  Ni260  1  0.800043  0.174254  0.631128  1
  Ni  Ni261  1  0.977784  0.151237  0.646650  1
  Ni  Ni262  1  0.987546  0.794918  0.662551  1
  Ni  Ni263  1  0.133376  0.840921  0.631128  1
  Ni  Ni264  1  0.311117  0.817904  0.646650  1
  Ni  Ni265  1  0.820879  0.461584  0.662551  1
  Ni  Ni266  1  0.966709  0.507588  0.631128  1
  Ni  Ni267  1  0.144450  0.484570  0.646650  1
  Ni  Ni268  1  0.154212  0.128251  0.662551  1
  Ni  Ni269  1  0.300043  0.174254  0.631128  1
  Ni  Ni270  1  0.320879  0.461584  0.662551  1
  Ni  Ni271  1  0.525257  0.333213  0.636813  1
  Ni  Ni272  1  0.534613  0.976870  0.652808  1
  Ni  Ni273  1  0.681602  0.022488  0.620617  1
  Ni  Ni274  1  0.858590  0.999880  0.636813  1
  Ni  Ni275  1  0.514935  0.689155  0.620617  1
  Ni  Ni276  1  0.691923  0.666546  0.636813  1
  Ni  Ni277  1  0.701280  0.310203  0.652808  1
  Ni  Ni278  1  0.848268  0.355821  0.620617  1
  Ni  Ni279  1  0.025257  0.333213  0.636813  1
  Ni  Ni280  1  0.034613  0.976870  0.652808  1
  Ni  Ni281  1  0.181602  0.022488  0.620617  1
  Ni  Ni282  1  0.358590  0.999880  0.636813  1
  Ni  Ni283  1  0.867947  0.643537  0.652808  1
  Ni  Ni284  1  0.014935  0.689155  0.620617  1
  Ni  Ni285  1  0.191923  0.666546  0.636813  1
  Ni  Ni286  1  0.201280  0.310203  0.652808  1
  Ni  Ni287  1  0.348268  0.355821  0.620617  1
  Ni  Ni288  1  0.367947  0.643537  0.652808  1
  Ni  Ni289  1  0.508793  0.084276  0.694485  1
  Ni  Ni290  1  0.517687  0.724481  0.709438  1
  Ni  Ni291  1  0.665875  0.773954  0.678703  1
  Ni  Ni292  1  0.842126  0.750943  0.694485  1
  Ni  Ni293  1  0.499208  0.440621  0.678703  1
  Ni  Ni294  1  0.675459  0.417610  0.694485  1
  Ni  Ni295  1  0.684354  0.057815  0.709438  1
  Ni  Ni296  1  0.832541  0.107288  0.678703  1
  Ni  Ni297  1  0.008793  0.084276  0.694485  1
  Ni  Ni298  1  0.017687  0.724481  0.709438  1
  Ni  Ni299  1  0.165875  0.773954  0.678703  1
  Ni  Ni300  1  0.342126  0.750943  0.694485  1
  Ni  Ni301  1  0.851021  0.391148  0.709438  1
  Ni  Ni302  1  0.999208  0.440621  0.678703  1
  Ni  Ni303  1  0.175459  0.417610  0.694485  1
  Ni  Ni304  1  0.184354  0.057815  0.709438  1
  Ni  Ni305  1  0.332541  0.107288  0.678703  1
  Ni  Ni306  1  0.351021  0.391148  0.709438  1
  Ni  Ni307  1  0.552851  0.264726  0.684928  1
  Ni  Ni308  1  0.563866  0.907386  0.699851  1
  Ni  Ni309  1  0.711325  0.953339  0.668133  1
  Ni  Ni310  1  0.886185  0.931393  0.684928  1
  Ni  Ni311  1  0.544658  0.620006  0.668133  1
  Ni  Ni312  1  0.719518  0.598060  0.684928  1
  Ni  Ni313  1  0.730533  0.240719  0.699851  1
  Ni  Ni314  1  0.877991  0.286672  0.668133  1
  Ni  Ni315  1  0.052851  0.264726  0.684928  1
  Ni  Ni316  1  0.063866  0.907386  0.699851  1
  Ni  Ni317  1  0.211325  0.953339  0.668133  1
  Ni  Ni318  1  0.386185  0.931393  0.684928  1
  Ni  Ni319  1  0.897199  0.574052  0.699851  1
  Ni  Ni320  1  0.044658  0.620006  0.668133  1
  Ni  Ni321  1  0.219518  0.598060  0.684928  1
  Ni  Ni322  1  0.230533  0.240719  0.699851  1
  Ni  Ni323  1  0.377991  0.286672  0.668133  1
  Ni  Ni324  1  0.397199  0.574052  0.699851  1
