# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.78148454
_cell_length_b   13.09107204
_cell_length_c   46.97849889
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.94903537
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   7841.93571633
_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  0.264617  0.670303  0.312801  1
  Ni  Ni2  1  0.275488  0.312345  0.327385  1
  Ni  Ni3  1  0.423359  0.357973  0.299302  1
  Ni  Ni4  1  0.597950  0.336970  0.312801  1
  Ni  Ni5  1  0.256692  0.024640  0.299302  1
  Ni  Ni6  1  0.431284  1.003636  0.312801  1
  Ni  Ni7  1  0.442155  0.645678  0.327385  1
  Ni  Ni8  1  0.590025  0.691307  0.299302  1
  Ni  Ni9  1  0.764617  0.670303  0.312801  1
  Ni  Ni10  1  0.775488  0.312345  0.327385  1
  Ni  Ni11  1  0.923359  0.357973  0.299302  1
  Ni  Ni12  1  0.097950  0.336970  0.312801  1
  Ni  Ni13  1  0.608821  0.979012  0.327385  1
  Ni  Ni14  1  0.756692  0.024640  0.299302  1
  Ni  Ni15  1  0.931284  1.003636  0.312801  1
  Ni  Ni16  1  0.942155  0.645678  0.327385  1
  Ni  Ni17  1  0.090025  0.691307  0.299302  1
  Ni  Ni18  1  0.108821  0.979012  0.327385  1
  Ni  Ni19  1  0.313561  0.853385  0.304508  1
  Ni  Ni20  1  0.323949  0.493800  0.317396  1
  Ni  Ni21  1  0.476897  0.536894  0.290936  1
  Ni  Ni22  1  0.646894  0.520052  0.304508  1
  Ni  Ni23  1  0.310230  0.203561  0.290936  1
  Ni  Ni24  1  0.480227  0.186718  0.304508  1
  Ni  Ni25  1  0.490616  0.827133  0.317396  1
  Ni  Ni26  1  0.643563  0.870228  0.290936  1
  Ni  Ni27  1  0.813561  0.853385  0.304508  1
  Ni  Ni28  1  0.823949  0.493800  0.317396  1
  Ni  Ni29  1  0.976897  0.536894  0.290936  1
  Ni  Ni30  1  0.146894  0.520052  0.304508  1
  Ni  Ni31  1  0.657283  0.160466  0.317396  1
  Ni  Ni32  1  0.810230  0.203561  0.290936  1
  Ni  Ni33  1  0.980227  0.186718  0.304508  1
  Ni  Ni34  1  0.990616  0.827133  0.317396  1
  Ni  Ni35  1  0.143563  0.870228  0.290936  1
  Ni  Ni36  1  0.157283  0.160466  0.317396  1
  Ni  Ni37  1  0.295835  0.598803  0.358122  1
  Ni  Ni38  1  0.305971  0.244977  0.374679  1
  Ni  Ni39  1  0.452105  0.288189  0.343265  1
  Ni  Ni40  1  0.629168  0.265470  0.358122  1
  Ni  Ni41  1  0.285439  0.954856  0.343265  1
  Ni  Ni42  1  0.462502  0.932137  0.358122  1
  Ni  Ni43  1  0.472637  0.578310  0.374679  1
  Ni  Ni44  1  0.618772  0.621522  0.343265  1
  Ni  Ni45  1  0.795835  0.598803  0.358122  1
  Ni  Ni46  1  0.805971  0.244977  0.374679  1
  Ni  Ni47  1  0.952105  0.288189  0.343265  1
  Ni  Ni48  1  0.129168  0.265470  0.358122  1
  Ni  Ni49  1  0.639304  0.911643  0.374679  1
  Ni  Ni50  1  0.785439  0.954856  0.343265  1
  Ni  Ni51  1  0.962502  0.932137  0.358122  1
  Ni  Ni52  1  0.972637  0.578310  0.374679  1
  Ni  Ni53  1  0.118772  0.621522  0.343265  1
  Ni  Ni54  1  0.139304  0.911643  0.374679  1
  Ni  Ni55  1  0.344423  0.779951  0.348523  1
  Ni  Ni56  1  0.353972  0.425214  0.363848  1
  Ni  Ni57  1  0.500781  0.469111  0.333844  1
  Ni  Ni58  1  0.677756  0.446618  0.348523  1
  Ni  Ni59  1  0.334115  0.135778  0.333844  1
  Ni  Ni60  1  0.511089  0.113285  0.348523  1
  Ni  Ni61  1  0.520639  0.758547  0.363848  1
  Ni  Ni62  1  0.667448  0.802445  0.333844  1
  Ni  Ni63  1  0.844423  0.779951  0.348523  1
  Ni  Ni64  1  0.853972  0.425214  0.363848  1
  Ni  Ni65  1  1.000781  0.469111  0.333844  1
  Ni  Ni66  1  0.177756  0.446618  0.348523  1
  Ni  Ni67  1  0.687305  0.091880  0.363848  1
  Ni  Ni68  1  0.834115  0.135778  0.333844  1
  Ni  Ni69  1  0.011089  0.113285  0.348523  1
  Ni  Ni70  1  0.020639  0.758547  0.363848  1
  Ni  Ni71  1  0.167448  0.802445  0.333844  1
  Ni  Ni72  1  0.187305  0.091880  0.363848  1
  Ni  Ni73  1  0.326962  0.535184  0.406770  1
  Ni  Ni74  1  0.337305  0.181396  0.423022  1
  Ni  Ni75  1  0.483305  0.222666  0.390865  1
  Ni  Ni76  1  0.660296  0.201850  0.406770  1
  Ni  Ni77  1  0.316638  0.889333  0.390865  1
  Ni  Ni78  1  0.493629  0.868517  0.406770  1
  Ni  Ni79  1  0.503972  0.514730  0.423022  1
  Ni  Ni80  1  0.649972  0.556000  0.390865  1
  Ni  Ni81  1  0.826962  0.535184  0.406770  1
  Ni  Ni82  1  0.837305  0.181396  0.423022  1
  Ni  Ni83  1  0.983305  0.222666  0.390865  1
  Ni  Ni84  1  0.160296  0.201850  0.406770  1
  Ni  Ni85  1  0.670638  0.848063  0.423022  1
  Ni  Ni86  1  0.816638  0.889333  0.390865  1
  Ni  Ni87  1  0.993629  0.868517  0.406770  1
  Ni  Ni88  1  0.003972  0.514730  0.423022  1
  Ni  Ni89  1  0.149972  0.556000  0.390865  1
  Ni  Ni90  1  0.170638  0.848063  0.423022  1
  Ni  Ni91  1  0.375241  0.715398  0.396183  1
  Ni  Ni92  1  0.385776  0.361842  0.412343  1
  Ni  Ni93  1  0.531375  0.403049  0.380405  1
  Ni  Ni94  1  0.708574  0.382064  0.396183  1
  Ni  Ni95  1  0.364709  0.069716  0.380405  1
  Ni  Ni96  1  0.541908  0.048731  0.396183  1
  Ni  Ni97  1  0.552443  0.695175  0.412343  1
  Ni  Ni98  1  0.698042  0.736382  0.380405  1
  Ni  Ni99  1  0.875241  0.715398  0.396183  1
  Ni  Ni100  1  0.885776  0.361842  0.412343  1
  Ni  Ni101  1  0.031375  0.403049  0.380405  1
  Ni  Ni102  1  0.208574  0.382064  0.396183  1
  Ni  Ni103  1  0.719109  0.028509  0.412343  1
  Ni  Ni104  1  0.864709  0.069716  0.380405  1
  Ni  Ni105  1  0.041908  0.048731  0.396183  1
  Ni  Ni106  1  0.052443  0.695175  0.412343  1
  Ni  Ni107  1  0.198042  0.736382  0.380405  1
  Ni  Ni108  1  0.219109  0.028509  0.412343  1
  Ni  Ni109  1  0.358134  0.472975  0.455089  1
  Ni  Ni110  1  0.368551  0.118745  0.471140  1
  Ni  Ni111  1  0.514457  0.160446  0.439068  1
  Ni  Ni112  1  0.691468  0.139642  0.455089  1
  Ni  Ni113  1  0.347790  0.827113  0.439068  1
  Ni  Ni114  1  0.524801  0.806309  0.455089  1
  Ni  Ni115  1  0.535218  0.452078  0.471140  1
  Ni  Ni116  1  0.681123  0.493779  0.439068  1
  Ni  Ni117  1  0.858134  0.472975  0.455089  1
  Ni  Ni118  1  0.868551  0.118745  0.471140  1
  Ni  Ni119  1  0.014457  0.160446  0.439068  1
  Ni  Ni120  1  0.191468  0.139642  0.455089  1
  Ni  Ni121  1  0.701885  0.785412  0.471140  1
  Ni  Ni122  1  0.847790  0.827113  0.439068  1
  Ni  Ni123  1  0.024801  0.806309  0.455089  1
  Ni  Ni124  1  0.035218  0.452078  0.471140  1
  Ni  Ni125  1  0.181123  0.493779  0.439068  1
  Ni  Ni126  1  0.201885  0.785412  0.471140  1
  Ni  Ni127  1  0.406811  0.653499  0.444405  1
  Ni  Ni128  1  0.417264  0.299340  0.460466  1
  Ni  Ni129  1  0.563100  0.340970  0.428477  1
  Ni  Ni130  1  0.740145  0.320165  0.444405  1
  Ni  Ni131  1  0.396433  1.007636  0.428477  1
  Ni  Ni132  1  0.573478  0.986832  0.444405  1
  Ni  Ni133  1  0.583931  0.632673  0.460466  1
  Ni  Ni134  1  0.729767  0.674303  0.428477  1
  Ni  Ni135  1  0.906811  0.653499  0.444405  1
  Ni  Ni136  1  0.917264  0.299340  0.460466  1
  Ni  Ni137  1  0.063100  0.340970  0.428477  1
  Ni  Ni138  1  0.240145  0.320165  0.444405  1
  Ni  Ni139  1  0.750598  0.966006  0.460466  1
  Ni  Ni140  1  0.896433  1.007636  0.428477  1
  Ni  Ni141  1  0.073478  0.986832  0.444405  1
  Ni  Ni142  1  0.083931  0.632673  0.460466  1
  Ni  Ni143  1  0.229767  0.674303  0.428477  1
  Ni  Ni144  1  0.250598  0.966006  0.460466  1
  Ni  Ni145  1  0.389415  0.410252  0.503220  1
  Ni  Ni146  1  0.399836  0.056030  0.519224  1
  Ni  Ni147  1  0.545657  0.097802  0.487174  1
  Ni  Ni148  1  0.722749  0.076919  0.503220  1
  Ni  Ni149  1  0.378991  0.764469  0.487174  1
  Ni  Ni150  1  0.556082  0.743586  0.503220  1
  Ni  Ni151  1  0.566503  0.389363  0.519224  1
  Ni  Ni152  1  0.712324  0.431135  0.487174  1
  Ni  Ni153  1  0.889415  0.410252  0.503220  1
  Ni  Ni154  1  0.899836  0.056030  0.519224  1
  Ni  Ni155  1  0.045657  0.097802  0.487174  1
  Ni  Ni156  1  0.222749  0.076919  0.503220  1
  Ni  Ni157  1  0.733170  0.722697  0.519224  1
  Ni  Ni158  1  0.878991  0.764469  0.487174  1
  Ni  Ni159  1  0.056082  0.743586  0.503220  1
  Ni  Ni160  1  0.066503  0.389363  0.519224  1
  Ni  Ni161  1  0.212324  0.431135  0.487174  1
  Ni  Ni162  1  0.233170  0.722697  0.519224  1
  Ni  Ni163  1  0.438152  0.590836  0.492525  1
  Ni  Ni164  1  0.448576  0.236620  0.508571  1
  Ni  Ni165  1  0.594398  0.278392  0.476521  1
  Ni  Ni166  1  0.771485  0.257503  0.492525  1
  Ni  Ni167  1  0.427731  0.945059  0.476521  1
  Ni  Ni168  1  0.604819  0.924170  0.492525  1
  Ni  Ni169  1  0.615243  0.569953  0.508571  1
  Ni  Ni170  1  0.761064  0.611725  0.476521  1
  Ni  Ni171  1  0.938152  0.590836  0.492525  1
  Ni  Ni172  1  0.948576  0.236620  0.508571  1
  Ni  Ni173  1  0.094398  0.278392  0.476521  1
  Ni  Ni174  1  0.271485  0.257503  0.492525  1
  Ni  Ni175  1  0.781910  0.903287  0.508571  1
  Ni  Ni176  1  0.927731  0.945059  0.476521  1
  Ni  Ni177  1  0.104819  0.924170  0.492525  1
  Ni  Ni178  1  0.115243  0.569953  0.508571  1
  Ni  Ni179  1  0.261064  0.611725  0.476521  1
  Ni  Ni180  1  0.281910  0.903287  0.508571  1
  Ni  Ni181  1  0.420756  0.347590  0.551340  1
  Ni  Ni182  1  0.431134  0.993452  0.567268  1
  Ni  Ni183  1  0.576969  0.035082  0.535279  1
  Ni  Ni184  1  0.754089  0.014257  0.551340  1
  Ni  Ni185  1  0.410303  0.701749  0.535279  1
  Ni  Ni186  1  0.587423  0.680923  0.551340  1
  Ni  Ni187  1  0.597800  0.326786  0.567268  1
  Ni  Ni188  1  0.743636  0.368416  0.535279  1
  Ni  Ni189  1  0.920756  0.347590  0.551340  1
  Ni  Ni190  1  0.931134  0.993452  0.567268  1
  Ni  Ni191  1  0.076969  0.035082  0.535279  1
  Ni  Ni192  1  0.254089  0.014257  0.551340  1
  Ni  Ni193  1  0.764467  0.660119  0.567268  1
  Ni  Ni194  1  0.910303  0.701749  0.535279  1
  Ni  Ni195  1  0.087423  0.680923  0.551340  1
  Ni  Ni196  1  0.097800  0.326786  0.567268  1
  Ni  Ni197  1  0.243636  0.368416  0.535279  1
  Ni  Ni198  1  0.264467  0.660119  0.567268  1
  Ni  Ni199  1  0.469433  0.528113  0.540656  1
  Ni  Ni200  1  0.479777  0.173976  0.556677  1
  Ni  Ni201  1  0.625682  0.215677  0.524605  1
  Ni  Ni202  1  0.802766  0.194780  0.540656  1
  Ni  Ni203  1  0.459016  0.882344  0.524605  1
  Ni  Ni204  1  0.636100  0.861447  0.540656  1
  Ni  Ni205  1  0.646444  0.507309  0.556677  1
  Ni  Ni206  1  0.792349  0.549010  0.524605  1
  Ni  Ni207  1  0.969433  0.528113  0.540656  1
  Ni  Ni208  1  0.979777  0.173976  0.556677  1
  Ni  Ni209  1  0.125682  0.215677  0.524605  1
  Ni  Ni210  1  0.302766  0.194780  0.540656  1
  Ni  Ni211  1  0.813111  0.840643  0.556677  1
  Ni  Ni212  1  0.959016  0.882344  0.524605  1
  Ni  Ni213  1  0.136100  0.861447  0.540656  1
  Ni  Ni214  1  0.146444  0.507309  0.556677  1
  Ni  Ni215  1  0.292349  0.549010  0.524605  1
  Ni  Ni216  1  0.313111  0.840643  0.556677  1
  Ni  Ni217  1  0.452326  0.285691  0.599562  1
  Ni  Ni218  1  0.462859  0.931373  0.615340  1
  Ni  Ni219  1  0.608458  0.972580  0.583402  1
  Ni  Ni220  1  0.785660  0.952358  0.599562  1
  Ni  Ni221  1  0.441791  0.639247  0.583402  1
  Ni  Ni222  1  0.618993  0.619024  0.599562  1
  Ni  Ni223  1  0.629525  0.264706  0.615340  1
  Ni  Ni224  1  0.775125  0.305913  0.583402  1
  Ni  Ni225  1  0.952326  0.285691  0.599562  1
  Ni  Ni226  1  0.962859  0.931373  0.615340  1
  Ni  Ni227  1  0.108458  0.972580  0.583402  1
  Ni  Ni228  1  0.285660  0.952358  0.599562  1
  Ni  Ni229  1  0.796192  0.598040  0.615340  1
  Ni  Ni230  1  0.941791  0.639247  0.583402  1
  Ni  Ni231  1  0.118993  0.619024  0.599562  1
  Ni  Ni232  1  0.129525  0.264706  0.615340  1
  Ni  Ni233  1  0.275125  0.305913  0.583402  1
  Ni  Ni234  1  0.296192  0.598040  0.615340  1
  Ni  Ni235  1  0.500605  0.465905  0.588975  1
  Ni  Ni236  1  0.510929  0.111756  0.604880  1
  Ni  Ni237  1  0.656929  0.153026  0.572723  1
  Ni  Ni238  1  0.833938  0.132572  0.588975  1
  Ni  Ni239  1  0.490262  0.819692  0.572723  1
  Ni  Ni240  1  0.667271  0.799238  0.588975  1
  Ni  Ni241  1  0.677595  0.445089  0.604880  1
  Ni  Ni242  1  0.823596  0.486359  0.572723  1
  Ni  Ni243  1  1.000605  0.465905  0.588975  1
  Ni  Ni244  1  0.010929  0.111756  0.604880  1
  Ni  Ni245  1  0.156929  0.153026  0.572723  1
  Ni  Ni246  1  0.333938  0.132572  0.588975  1
  Ni  Ni247  1  0.844262  0.778422  0.604880  1
  Ni  Ni248  1  0.990262  0.819692  0.572723  1
  Ni  Ni249  1  0.167271  0.799238  0.588975  1
  Ni  Ni250  1  0.177595  0.445089  0.604880  1
  Ni  Ni251  1  0.323596  0.486359  0.572723  1
  Ni  Ni252  1  0.344262  0.778422  0.604880  1
  Ni  Ni253  1  0.483144  0.221137  0.647222  1
  Ni  Ni254  1  0.493452  0.865311  0.661901  1
  Ni  Ni255  1  0.640262  0.909208  0.631896  1
  Ni  Ni256  1  0.816478  0.887804  0.647222  1
  Ni  Ni257  1  0.473595  0.575875  0.631896  1
  Ni  Ni258  1  0.649811  0.554471  0.647222  1
  Ni  Ni259  1  0.660119  0.198644  0.661901  1
  Ni  Ni260  1  0.806928  0.242542  0.631896  1
  Ni  Ni261  1  0.983144  0.221137  0.647222  1
  Ni  Ni262  1  0.993452  0.865311  0.661901  1
  Ni  Ni263  1  0.140262  0.909208  0.631896  1
  Ni  Ni264  1  0.316478  0.887804  0.647222  1
  Ni  Ni265  1  0.826786  0.531977  0.661901  1
  Ni  Ni266  1  0.973595  0.575875  0.631896  1
  Ni  Ni267  1  0.149811  0.554471  0.647222  1
  Ni  Ni268  1  0.160119  0.198644  0.661901  1
  Ni  Ni269  1  0.306928  0.242542  0.631896  1
  Ni  Ni270  1  0.326786  0.531977  0.661901  1
  Ni  Ni271  1  0.531732  0.402285  0.637623  1
  Ni  Ni272  1  0.542129  0.046233  0.652480  1
  Ni  Ni273  1  0.688263  0.089445  0.621066  1
  Ni  Ni274  1  0.865066  0.068952  0.637623  1
  Ni  Ni275  1  0.521596  0.756112  0.621066  1
  Ni  Ni276  1  0.698399  0.735619  0.637623  1
  Ni  Ni277  1  0.708795  0.379566  0.652480  1
  Ni  Ni278  1  0.854930  0.422779  0.621066  1
  Ni  Ni279  1  0.031732  0.402285  0.637623  1
  Ni  Ni280  1  0.042129  0.046233  0.652480  1
  Ni  Ni281  1  0.188263  0.089445  0.621066  1
  Ni  Ni282  1  0.365066  0.068952  0.637623  1
  Ni  Ni283  1  0.875462  0.712900  0.652480  1
  Ni  Ni284  1  0.021596  0.756112  0.621066  1
  Ni  Ni285  1  0.198399  0.735619  0.637623  1
  Ni  Ni286  1  0.208795  0.379566  0.652480  1
  Ni  Ni287  1  0.354930  0.422779  0.621066  1
  Ni  Ni288  1  0.375462  0.712900  0.652480  1
  Ni  Ni289  1  0.514007  0.147704  0.691236  1
  Ni  Ni290  1  0.517337  0.797528  0.704809  1
  Ni  Ni291  1  0.670284  0.840622  0.678349  1
  Ni  Ni292  1  0.847340  0.814370  0.691236  1
  Ni  Ni293  1  0.503618  0.507289  0.678349  1
  Ni  Ni294  1  0.680673  0.481037  0.691236  1
  Ni  Ni295  1  0.684004  0.130861  0.704809  1
  Ni  Ni296  1  0.836951  0.173956  0.678349  1
  Ni  Ni297  1  0.014007  0.147704  0.691236  1
  Ni  Ni298  1  0.017337  0.797528  0.704809  1
  Ni  Ni299  1  0.170284  0.840622  0.678349  1
  Ni  Ni300  1  0.347340  0.814370  0.691236  1
  Ni  Ni301  1  0.850671  0.464194  0.704809  1
  Ni  Ni302  1  1.003618  0.507289  0.678349  1
  Ni  Ni303  1  0.180673  0.481037  0.691236  1
  Ni  Ni304  1  0.184004  0.130861  0.704809  1
  Ni  Ni305  1  0.336951  0.173956  0.678349  1
  Ni  Ni306  1  0.350671  0.464194  0.704809  1
  Ni  Ni307  1  0.562950  0.330786  0.682944  1
  Ni  Ni308  1  0.570875  0.976448  0.696443  1
  Ni  Ni309  1  0.718746  0.022077  0.668360  1
  Ni  Ni310  1  0.896283  0.997452  0.682944  1
  Ni  Ni311  1  0.552079  0.688744  0.668360  1
  Ni  Ni312  1  0.729617  0.664119  0.682944  1
  Ni  Ni313  1  0.737542  0.309782  0.696443  1
  Ni  Ni314  1  0.885412  0.355410  0.668360  1
  Ni  Ni315  1  0.062950  0.330786  0.682944  1
  Ni  Ni316  1  0.070875  0.976448  0.696443  1
  Ni  Ni317  1  0.218746  0.022077  0.668360  1
  Ni  Ni318  1  0.396283  0.997452  0.682944  1
  Ni  Ni319  1  0.904208  0.643115  0.696443  1
  Ni  Ni320  1  0.052079  0.688744  0.668360  1
  Ni  Ni321  1  0.229617  0.664119  0.682944  1
  Ni  Ni322  1  0.237542  0.309782  0.696443  1
  Ni  Ni323  1  0.385412  0.355410  0.668360  1
  Ni  Ni324  1  0.404208  0.643115  0.696443  1
