# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.89940942
_cell_length_b   11.12012792
_cell_length_c   46.42005518
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.45851298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5423.69714647
_cell_formula_units_Z   216
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  0.291505  0.195355  0.297688  1
  Ni  Ni2  1  0.958172  0.195355  0.297688  1
  Ni  Ni3  1  0.889920  0.717862  0.286219  1
  Ni  Ni4  1  0.624838  0.195355  0.297688  1
  Ni  Ni5  1  0.556586  0.717862  0.286219  1
  Ni  Ni6  1  0.223253  0.717862  0.286219  1
  Ni  Ni7  1  0.106277  0.928163  0.302802  1
  Ni  Ni8  1  0.772944  0.928163  0.302802  1
  Ni  Ni9  1  0.704356  0.458267  0.291632  1
  Ni  Ni10  1  0.439611  0.928163  0.302802  1
  Ni  Ni11  1  0.371023  0.458267  0.291632  1
  Ni  Ni12  1  0.037689  0.458267  0.291632  1
  Ni  Ni13  1  0.095913  0.135829  0.320337  1
  Ni  Ni14  1  0.762580  0.135829  0.320337  1
  Ni  Ni15  1  0.694500  0.663547  0.308790  1
  Ni  Ni16  1  0.429246  0.135829  0.320337  1
  Ni  Ni17  1  0.361166  0.663547  0.308790  1
  Ni  Ni18  1  0.027833  0.663547  0.308790  1
  Ni  Ni19  1  0.910697  0.872033  0.326436  1
  Ni  Ni20  1  0.577364  0.872033  0.326436  1
  Ni  Ni21  1  0.508392  0.400749  0.314485  1
  Ni  Ni22  1  0.244030  0.872033  0.326436  1
  Ni  Ni23  1  0.175059  0.400749  0.314485  1
  Ni  Ni24  1  0.841725  0.400749  0.314485  1
  Ni  Ni25  1  0.901106  0.079185  0.345074  1
  Ni  Ni26  1  0.567773  0.079185  0.345074  1
  Ni  Ni27  1  0.499097  0.606533  0.333275  1
  Ni  Ni28  1  0.234440  0.079185  0.345074  1
  Ni  Ni29  1  0.165764  0.606533  0.333275  1
  Ni  Ni30  1  0.832431  0.606533  0.333275  1
  Ni  Ni31  1  0.714937  0.815202  0.350769  1
  Ni  Ni32  1  0.381604  0.815202  0.350769  1
  Ni  Ni33  1  0.312140  0.342953  0.339134  1
  Ni  Ni34  1  0.048271  0.815202  0.350769  1
  Ni  Ni35  1  0.978807  0.342953  0.339134  1
  Ni  Ni36  1  0.645473  0.342953  0.339134  1
  Ni  Ni37  1  0.707036  0.023447  0.369063  1
  Ni  Ni38  1  0.373703  0.023447  0.369063  1
  Ni  Ni39  1  0.304583  0.550816  0.357032  1
  Ni  Ni40  1  0.040370  0.023447  0.369063  1
  Ni  Ni41  1  0.971249  0.550816  0.357032  1
  Ni  Ni42  1  0.637916  0.550816  0.357032  1
  Ni  Ni43  1  0.520157  0.759634  0.375218  1
  Ni  Ni44  1  0.186824  0.759634  0.375218  1
  Ni  Ni45  1  0.117132  0.286929  0.362912  1
  Ni  Ni46  1  0.853490  0.759634  0.375218  1
  Ni  Ni47  1  0.783799  0.286929  0.362912  1
  Ni  Ni48  1  0.450465  0.286929  0.362912  1
  Ni  Ni49  1  0.511999  0.966636  0.393722  1
  Ni  Ni50  1  0.178666  0.966636  0.393722  1
  Ni  Ni51  1  0.109727  0.494579  0.381716  1
  Ni  Ni52  1  0.845333  0.966636  0.393722  1
  Ni  Ni53  1  0.776393  0.494579  0.381716  1
  Ni  Ni54  1  0.443060  0.494579  0.381716  1
  Ni  Ni55  1  0.325005  0.702779  0.399740  1
  Ni  Ni56  1  0.991671  0.702779  0.399740  1
  Ni  Ni57  1  0.922167  0.230676  0.387726  1
  Ni  Ni58  1  0.658338  0.702779  0.399740  1
  Ni  Ni59  1  0.588834  0.230676  0.387726  1
  Ni  Ni60  1  0.255500  0.230676  0.387726  1
  Ni  Ni61  1  0.317431  0.910653  0.418103  1
  Ni  Ni62  1  0.984098  0.910653  0.418103  1
  Ni  Ni63  1  0.914774  0.438404  0.405946  1
  Ni  Ni64  1  0.650765  0.910653  0.418103  1
  Ni  Ni65  1  0.581441  0.438404  0.405946  1
  Ni  Ni66  1  0.248108  0.438404  0.405946  1
  Ni  Ni67  1  0.130144  0.646640  0.424241  1
  Ni  Ni68  1  0.796811  0.646640  0.424241  1
  Ni  Ni69  1  0.727393  0.174561  0.412001  1
  Ni  Ni70  1  0.463477  0.646640  0.424241  1
  Ni  Ni71  1  0.394059  0.174561  0.412001  1
  Ni  Ni72  1  0.060726  0.174561  0.412001  1
  Ni  Ni73  1  0.122555  0.854226  0.442642  1
  Ni  Ni74  1  0.789222  0.854226  0.442642  1
  Ni  Ni75  1  0.719986  0.382221  0.430515  1
  Ni  Ni76  1  0.455888  0.854226  0.442642  1
  Ni  Ni77  1  0.386652  0.382221  0.430515  1
  Ni  Ni78  1  0.053319  0.382221  0.430515  1
  Ni  Ni79  1  0.935259  0.590231  0.448724  1
  Ni  Ni80  1  0.601926  0.590231  0.448724  1
  Ni  Ni81  1  0.532524  0.118185  0.436577  1
  Ni  Ni82  1  0.268592  0.590231  0.448724  1
  Ni  Ni83  1  0.199190  0.118185  0.436577  1
  Ni  Ni84  1  0.865857  0.118185  0.436577  1
  Ni  Ni85  1  0.927826  0.798067  0.467087  1
  Ni  Ni86  1  0.594492  0.798067  0.467087  1
  Ni  Ni87  1  0.525171  0.326025  0.454903  1
  Ni  Ni88  1  0.261159  0.798067  0.467087  1
  Ni  Ni89  1  0.191838  0.326025  0.454903  1
  Ni  Ni90  1  0.858505  0.326025  0.454903  1
  Ni  Ni91  1  0.740448  0.534036  0.473209  1
  Ni  Ni92  1  0.407115  0.534036  0.473209  1
  Ni  Ni93  1  0.337777  0.062044  0.460992  1
  Ni  Ni94  1  0.073781  0.534036  0.473209  1
  Ni  Ni95  1  0.004443  0.062044  0.460992  1
  Ni  Ni96  1  0.671110  0.062044  0.460992  1
  Ni  Ni97  1  0.732991  0.741749  0.491590  1
  Ni  Ni98  1  0.399657  0.741749  0.491590  1
  Ni  Ni99  1  0.330357  0.269767  0.479402  1
  Ni  Ni100  1  0.066324  0.741749  0.491590  1
  Ni  Ni101  1  0.997023  0.269767  0.479402  1
  Ni  Ni102  1  0.663690  0.269767  0.479402  1
  Ni  Ni103  1  0.545618  0.477734  0.497689  1
  Ni  Ni104  1  0.212284  0.477734  0.497689  1
  Ni  Ni105  1  0.142945  0.005729  0.485502  1
  Ni  Ni106  1  0.878951  0.477734  0.497689  1
  Ni  Ni107  1  0.809612  0.005729  0.485502  1
  Ni  Ni108  1  0.476279  0.005729  0.485502  1
  Ni  Ni109  1  0.538231  0.685562  0.516042  1
  Ni  Ni110  1  0.204898  0.685562  0.516042  1
  Ni  Ni111  1  0.135559  0.213556  0.503855  1
  Ni  Ni112  1  0.871565  0.685562  0.516042  1
  Ni  Ni113  1  0.802226  0.213556  0.503855  1
  Ni  Ni114  1  0.468892  0.213556  0.503855  1
  Ni  Ni115  1  0.350820  0.421524  0.522142  1
  Ni  Ni116  1  0.017487  0.421524  0.522142  1
  Ni  Ni117  1  0.948186  0.949542  0.509954  1
  Ni  Ni118  1  0.684154  0.421524  0.522142  1
  Ni  Ni119  1  0.614853  0.949542  0.509954  1
  Ni  Ni120  1  0.281519  0.949542  0.509954  1
  Ni  Ni121  1  0.343400  0.629246  0.540553  1
  Ni  Ni122  1  0.010067  0.629246  0.540553  1
  Ni  Ni123  1  0.940729  0.157254  0.528335  1
  Ni  Ni124  1  0.676733  0.629246  0.540553  1
  Ni  Ni125  1  0.607395  0.157254  0.528335  1
  Ni  Ni126  1  0.274062  0.157254  0.528335  1
  Ni  Ni127  1  0.156006  0.365266  0.546641  1
  Ni  Ni128  1  0.822672  0.365266  0.546641  1
  Ni  Ni129  1  0.753351  0.893223  0.534457  1
  Ni  Ni130  1  0.489339  0.365266  0.546641  1
  Ni  Ni131  1  0.420018  0.893223  0.534457  1
  Ni  Ni132  1  0.086685  0.893223  0.534457  1
  Ni  Ni133  1  0.148653  0.573105  0.564968  1
  Ni  Ni134  1  0.815320  0.573105  0.564968  1
  Ni  Ni135  1  0.745918  0.101059  0.552821  1
  Ni  Ni136  1  0.481986  0.573105  0.564968  1
  Ni  Ni137  1  0.412585  0.101059  0.552821  1
  Ni  Ni138  1  0.079251  0.101059  0.552821  1
  Ni  Ni139  1  0.961191  0.309069  0.571030  1
  Ni  Ni140  1  0.627858  0.309069  0.571030  1
  Ni  Ni141  1  0.558622  0.837065  0.558903  1
  Ni  Ni142  1  0.294524  0.309069  0.571030  1
  Ni  Ni143  1  0.225288  0.837065  0.558903  1
  Ni  Ni144  1  0.891955  0.837065  0.558903  1
  Ni  Ni145  1  0.953784  0.516729  0.589543  1
  Ni  Ni146  1  0.620451  0.516729  0.589543  1
  Ni  Ni147  1  0.551033  0.044650  0.577303  1
  Ni  Ni148  1  0.287117  0.516729  0.589543  1
  Ni  Ni149  1  0.217699  0.044650  0.577303  1
  Ni  Ni150  1  0.884366  0.044650  0.577303  1
  Ni  Ni151  1  0.766403  0.252887  0.595598  1
  Ni  Ni152  1  0.433069  0.252887  0.595598  1
  Ni  Ni153  1  0.363745  0.780638  0.583441  1
  Ni  Ni154  1  0.099736  0.252887  0.595598  1
  Ni  Ni155  1  0.030412  0.780638  0.583441  1
  Ni  Ni156  1  0.697079  0.780638  0.583441  1
  Ni  Ni157  1  0.759010  0.460614  0.613818  1
  Ni  Ni158  1  0.425676  0.460614  0.613818  1
  Ni  Ni159  1  0.356172  0.988512  0.601804  1
  Ni  Ni160  1  0.092343  0.460614  0.613818  1
  Ni  Ni161  1  0.022839  0.988512  0.601804  1
  Ni  Ni162  1  0.689506  0.988512  0.601804  1
  Ni  Ni163  1  0.571450  0.196712  0.619828  1
  Ni  Ni164  1  0.238117  0.196712  0.619828  1
  Ni  Ni165  1  0.169177  0.724654  0.607822  1
  Ni  Ni166  1  0.904784  0.196712  0.619828  1
  Ni  Ni167  1  0.835844  0.724654  0.607822  1
  Ni  Ni168  1  0.502511  0.724654  0.607822  1
  Ni  Ni169  1  0.564045  0.404362  0.638633  1
  Ni  Ni170  1  0.230711  0.404362  0.638633  1
  Ni  Ni171  1  0.161020  0.931656  0.626327  1
  Ni  Ni172  1  0.897378  0.404362  0.638633  1
  Ni  Ni173  1  0.827686  0.931656  0.626327  1
  Ni  Ni174  1  0.494353  0.931656  0.626327  1
  Ni  Ni175  1  0.376594  0.140474  0.644512  1
  Ni  Ni176  1  0.043261  0.140474  0.644512  1
  Ni  Ni177  1  0.974140  0.667843  0.632481  1
  Ni  Ni178  1  0.709927  0.140474  0.644512  1
  Ni  Ni179  1  0.640807  0.667843  0.632481  1
  Ni  Ni180  1  0.307474  0.667843  0.632481  1
  Ni  Ni181  1  0.369037  0.348338  0.662410  1
  Ni  Ni182  1  0.035703  0.348338  0.662410  1
  Ni  Ni183  1  0.966240  0.876089  0.650776  1
  Ni  Ni184  1  0.702370  0.348338  0.662410  1
  Ni  Ni185  1  0.632906  0.876089  0.650776  1
  Ni  Ni186  1  0.299573  0.876089  0.650776  1
  Ni  Ni187  1  0.182079  0.084757  0.668269  1
  Ni  Ni188  1  0.848746  0.084757  0.668269  1
  Ni  Ni189  1  0.780071  0.612105  0.656470  1
  Ni  Ni190  1  0.515413  0.084757  0.668269  1
  Ni  Ni191  1  0.446737  0.612105  0.656470  1
  Ni  Ni192  1  0.113404  0.612105  0.656470  1
  Ni  Ni193  1  0.172785  0.290542  0.687060  1
  Ni  Ni194  1  0.839451  0.290542  0.687060  1
  Ni  Ni195  1  0.770480  0.819258  0.675109  1
  Ni  Ni196  1  0.506118  0.290542  0.687060  1
  Ni  Ni197  1  0.437147  0.819258  0.675109  1
  Ni  Ni198  1  0.103813  0.819258  0.675109  1
  Ni  Ni199  1  0.986677  0.027743  0.692754  1
  Ni  Ni200  1  0.653344  0.027743  0.692754  1
  Ni  Ni201  1  0.585264  0.555462  0.681208  1
  Ni  Ni202  1  0.320011  0.027743  0.692754  1
  Ni  Ni203  1  0.251931  0.555462  0.681208  1
  Ni  Ni204  1  0.918597  0.555462  0.681208  1
  Ni  Ni205  1  0.976821  0.233023  0.709913  1
  Ni  Ni206  1  0.643487  0.233023  0.709913  1
  Ni  Ni207  1  0.574899  0.763127  0.698743  1
  Ni  Ni208  1  0.310154  0.233023  0.709913  1
  Ni  Ni209  1  0.241566  0.763127  0.698743  1
  Ni  Ni210  1  0.908233  0.763127  0.698743  1
  Ni  Ni211  1  0.791257  0.973428  0.715325  1
  Ni  Ni212  1  0.457924  0.973428  0.715325  1
  Ni  Ni213  1  0.389672  0.495936  0.703856  1
  Ni  Ni214  1  0.124591  0.973428  0.715325  1
  Ni  Ni215  1  0.056338  0.495936  0.703856  1
  Ni  Ni216  1  0.723005  0.495936  0.703856  1
