# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09583691
_cell_length_b   11.09663793
_cell_length_c   47.77535103
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5852.92506878
_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  0.875712  0.208507  0.336985  1
  Ni  Ni2  1  0.303645  0.973587  0.270563  1
  Ni  Ni3  1  0.275154  0.271849  0.292263  1
  Ni  Ni4  1  0.639311  0.637340  0.270581  1
  Ni  Ni5  1  0.605143  0.938819  0.291707  1
  Ni  Ni6  1  0.572798  0.241140  0.314171  1
  Ni  Ni7  1  0.938784  0.608147  0.292071  1
  Ni  Ni8  1  0.907097  0.907319  0.314645  1
  Ni  Ni9  1  0.238736  0.571438  0.313271  1
  Ni  Ni10  1  0.101481  0.434393  0.291458  1
  Ni  Ni11  1  0.438854  0.104654  0.291892  1
  Ni  Ni12  1  0.407101  0.407534  0.313907  1
  Ni  Ni13  1  0.771897  0.772431  0.291688  1
  Ni  Ni14  1  0.740185  0.073781  0.314695  1
  Ni  Ni15  1  0.807411  0.471845  0.271003  1
  Ni  Ni16  1  0.074629  0.740223  0.314265  1
  Ni  Ni17  1  0.138636  0.141019  0.271032  1
  Ni  Ni18  1  0.470918  0.805402  0.270562  1
  Ni  Ni19  1  0.907481  0.406735  0.314539  1
  Ni  Ni20  1  0.240812  0.074938  0.314708  1
  Ni  Ni21  1  0.208818  0.375796  0.336418  1
  Ni  Ni22  1  0.573859  0.740611  0.314401  1
  Ni  Ni23  1  0.639200  0.139216  0.271076  1
  Ni  Ni24  1  0.608120  0.435593  0.291323  1
  Ni  Ni25  1  0.972633  0.807402  0.271016  1
  Ni  Ni26  1  0.938454  0.104710  0.292067  1
  Ni  Ni27  1  0.268587  0.773933  0.291278  1
  Ni  Ni28  1  0.072840  0.240282  0.314444  1
  Ni  Ni29  1  0.406317  0.906955  0.314338  1
  Ni  Ni30  1  0.376009  0.209658  0.336805  1
  Ni  Ni31  1  0.740716  0.573636  0.314424  1
  Ni  Ni32  1  0.804835  0.972280  0.270701  1
  Ni  Ni33  1  0.776498  0.270489  0.292140  1
  Ni  Ni34  1  0.042811  0.541776  0.336427  1
  Ni  Ni35  1  0.104412  0.943270  0.292181  1
  Ni  Ni36  1  0.439625  0.606202  0.291693  1
  Ni  Ni37  1  0.784427  0.118247  0.403142  1
  Ni  Ni38  1  0.209399  0.876817  0.336059  1
  Ni  Ni39  1  0.178719  0.179335  0.358900  1
  Ni  Ni40  1  0.543214  0.542414  0.335704  1
  Ni  Ni41  1  0.512082  0.845584  0.358555  1
  Ni  Ni42  1  0.481851  0.148723  0.380941  1
  Ni  Ni43  1  0.845766  0.512445  0.358714  1
  Ni  Ni44  1  0.815276  0.815039  0.380768  1
  Ni  Ni45  1  0.148686  0.481866  0.380906  1
  Ni  Ni46  1  0.012129  0.345451  0.358935  1
  Ni  Ni47  1  0.345869  0.012344  0.358803  1
  Ni  Ni48  1  0.315137  0.315818  0.380972  1
  Ni  Ni49  1  0.679169  0.679137  0.358621  1
  Ni  Ni50  1  0.648194  0.981764  0.380733  1
  Ni  Ni51  1  0.709875  0.375935  0.336066  1
  Ni  Ni52  1  0.982155  0.648523  0.380808  1
  Ni  Ni53  1  0.042735  0.043478  0.336466  1
  Ni  Ni54  1  0.374972  0.708964  0.335544  1
  Ni  Ni55  1  0.814735  0.315560  0.380986  1
  Ni  Ni56  1  0.148768  0.981782  0.380871  1
  Ni  Ni57  1  0.118140  0.284961  0.403307  1
  Ni  Ni58  1  0.481463  0.648253  0.380393  1
  Ni  Ni59  1  0.542546  0.043018  0.336084  1
  Ni  Ni60  1  0.511888  0.346582  0.358472  1
  Ni  Ni61  1  0.876491  0.709829  0.336171  1
  Ni  Ni62  1  0.845644  0.011997  0.358918  1
  Ni  Ni63  1  0.179582  0.678104  0.358240  1
  Ni  Ni64  1  0.981950  0.148362  0.381144  1
  Ni  Ni65  1  0.315095  0.814731  0.380552  1
  Ni  Ni66  1  0.284843  0.118283  0.403204  1
  Ni  Ni67  1  0.648293  0.482069  0.380640  1
  Ni  Ni68  1  0.709414  0.876244  0.336081  1
  Ni  Ni69  1  0.678057  0.179554  0.358724  1
  Ni  Ni70  1  0.951402  0.451645  0.403221  1
  Ni  Ni71  1  0.013131  0.845469  0.358666  1
  Ni  Ni72  1  0.345279  0.512361  0.357993  1
  Ni  Ni73  1  0.693311  0.026669  0.469849  1
  Ni  Ni74  1  0.118485  0.784305  0.403043  1
  Ni  Ni75  1  0.087811  0.087538  0.425446  1
  Ni  Ni76  1  0.451058  0.451813  0.402985  1
  Ni  Ni77  1  0.420819  0.754000  0.425186  1
  Ni  Ni78  1  0.390522  0.057129  0.447638  1
  Ni  Ni79  1  0.753990  0.421258  0.425367  1
  Ni  Ni80  1  0.723701  0.723851  0.447595  1
  Ni  Ni81  1  0.057092  0.390646  0.447717  1
  Ni  Ni82  1  0.920817  0.254480  0.425447  1
  Ni  Ni83  1  0.254418  0.920716  0.425297  1
  Ni  Ni84  1  0.223884  0.223894  0.447712  1
  Ni  Ni85  1  0.587324  0.587690  0.425215  1
  Ni  Ni86  1  0.557083  0.890374  0.447589  1
  Ni  Ni87  1  0.617592  0.285251  0.403138  1
  Ni  Ni88  1  0.890395  0.557299  0.447667  1
  Ni  Ni89  1  0.951651  0.951093  0.403192  1
  Ni  Ni90  1  0.284800  0.617785  0.402930  1
  Ni  Ni91  1  0.723622  0.223998  0.447616  1
  Ni  Ni92  1  0.057323  0.890313  0.447613  1
  Ni  Ni93  1  0.026670  0.193386  0.469896  1
  Ni  Ni94  1  0.390384  0.557223  0.447602  1
  Ni  Ni95  1  0.451325  0.951207  0.403121  1
  Ni  Ni96  1  0.420863  0.254550  0.425433  1
  Ni  Ni97  1  0.784715  0.618115  0.403122  1
  Ni  Ni98  1  0.754170  0.920871  0.425287  1
  Ni  Ni99  1  0.087684  0.587622  0.425404  1
  Ni  Ni100  1  0.890442  0.057152  0.447603  1
  Ni  Ni101  1  0.223919  0.723669  0.447589  1
  Ni  Ni102  1  0.193468  0.026596  0.469881  1
  Ni  Ni103  1  0.556920  0.390771  0.447622  1
  Ni  Ni104  1  0.617865  0.784578  0.403039  1
  Ni  Ni105  1  0.587504  0.087632  0.425352  1
  Ni  Ni106  1  0.859863  0.360186  0.469894  1
  Ni  Ni107  1  0.921027  0.754180  0.425341  1
  Ni  Ni108  1  0.254247  0.421129  0.425476  1
  Ni  Ni109  1  0.602026  0.935383  0.536735  1
  Ni  Ni110  1  0.026667  0.693434  0.469902  1
  Ni  Ni111  1  0.996217  0.996228  0.492110  1
  Ni  Ni112  1  0.360022  0.360138  0.469948  1
  Ni  Ni113  1  0.329535  0.662960  0.492152  1
  Ni  Ni114  1  0.299125  0.965792  0.514397  1
  Ni  Ni115  1  0.662820  0.329663  0.492128  1
  Ni  Ni116  1  0.632387  0.632573  0.514414  1
  Ni  Ni117  1  0.965703  0.299139  0.514368  1
  Ni  Ni118  1  0.829492  0.162915  0.492103  1
  Ni  Ni119  1  0.162914  0.829573  0.492136  1
  Ni  Ni120  1  0.132444  0.132431  0.514376  1
  Ni  Ni121  1  0.496168  0.496355  0.492154  1
  Ni  Ni122  1  0.465752  0.799174  0.514411  1
  Ni  Ni123  1  0.526688  0.193409  0.469892  1
  Ni  Ni124  1  0.799023  0.465891  0.514396  1
  Ni  Ni125  1  0.859977  0.860056  0.469849  1
  Ni  Ni126  1  0.193319  0.526807  0.469947  1
  Ni  Ni127  1  0.632493  0.132399  0.514406  1
  Ni  Ni128  1  0.965671  0.799285  0.514420  1
  Ni  Ni129  1  0.935260  0.102010  0.536619  1
  Ni  Ni130  1  0.299092  0.465847  0.514435  1
  Ni  Ni131  1  0.360059  0.859919  0.469835  1
  Ni  Ni132  1  0.329655  0.162871  0.492158  1
  Ni  Ni133  1  0.693172  0.526886  0.469864  1
  Ni  Ni134  1  0.662847  0.829618  0.492150  1
  Ni  Ni135  1  0.996114  0.496395  0.492170  1
  Ni  Ni136  1  0.799061  0.965835  0.514406  1
  Ni  Ni137  1  0.132333  0.632608  0.514432  1
  Ni  Ni138  1  0.101891  0.935454  0.536654  1
  Ni  Ni139  1  0.465858  0.299097  0.514419  1
  Ni  Ni140  1  0.526586  0.693381  0.469830  1
  Ni  Ni141  1  0.496277  0.996189  0.492147  1
  Ni  Ni142  1  0.768671  0.268590  0.536618  1
  Ni  Ni143  1  0.829450  0.663077  0.492161  1
  Ni  Ni144  1  0.162886  0.329625  0.492167  1
  Ni  Ni145  1  0.510447  0.844267  0.603383  1
  Ni  Ni146  1  0.935187  0.602192  0.536677  1
  Ni  Ni147  1  0.904752  0.905146  0.558997  1
  Ni  Ni148  1  0.268705  0.268607  0.536623  1
  Ni  Ni149  1  0.238043  0.571638  0.558913  1
  Ni  Ni150  1  0.207514  0.874694  0.581177  1
  Ni  Ni151  1  0.571715  0.238079  0.558945  1
  Ni  Ni152  1  0.541125  0.541002  0.581112  1
  Ni  Ni153  1  0.874431  0.207610  0.581150  1
  Ni  Ni154  1  0.738264  0.071542  0.559002  1
  Ni  Ni155  1  0.071328  0.738490  0.558960  1
  Ni  Ni156  1  0.040905  0.041332  0.581176  1
  Ni  Ni157  1  0.404965  0.404771  0.558913  1
  Ni  Ni158  1  0.374179  0.707856  0.581118  1
  Ni  Ni159  1  0.435419  0.101963  0.536677  1
  Ni  Ni160  1  0.707921  0.374216  0.581100  1
  Ni  Ni161  1  0.768604  0.768857  0.536729  1
  Ni  Ni162  1  0.101881  0.435392  0.536617  1
  Ni  Ni163  1  0.541153  0.041211  0.581291  1
  Ni  Ni164  1  0.874370  0.708049  0.581268  1
  Ni  Ni165  1  0.843967  0.010858  0.603709  1
  Ni  Ni166  1  0.207650  0.374296  0.581020  1
  Ni  Ni167  1  0.268534  0.768796  0.536661  1
  Ni  Ni168  1  0.238116  0.071664  0.558918  1
  Ni  Ni169  1  0.602021  0.435327  0.536641  1
  Ni  Ni170  1  0.571539  0.738319  0.558954  1
  Ni  Ni171  1  0.904884  0.404795  0.558877  1
  Ni  Ni172  1  0.707854  0.874634  0.581364  1
  Ni  Ni173  1  0.040889  0.541143  0.581105  1
  Ni  Ni174  1  0.010360  0.844595  0.603563  1
  Ni  Ni175  1  0.374501  0.207678  0.581150  1
  Ni  Ni176  1  0.435270  0.602057  0.536661  1
  Ni  Ni177  1  0.404748  0.905071  0.558940  1
  Ni  Ni178  1  0.677525  0.177198  0.603606  1
  Ni  Ni179  1  0.738265  0.571591  0.558933  1
  Ni  Ni180  1  0.071474  0.238178  0.558857  1
  Ni  Ni181  1  0.418629  0.751648  0.670159  1
  Ni  Ni182  1  0.844231  0.510408  0.603404  1
  Ni  Ni183  1  0.813878  0.813837  0.626016  1
  Ni  Ni184  1  0.177030  0.177476  0.603455  1
  Ni  Ni185  1  0.146580  0.479815  0.625374  1
  Ni  Ni186  1  0.115612  0.784130  0.648052  1
  Ni  Ni187  1  0.480314  0.147033  0.625817  1
  Ni  Ni188  1  0.450449  0.449342  0.647795  1
  Ni  Ni189  1  0.782804  0.116396  0.648509  1
  Ni  Ni190  1  0.646880  0.980495  0.625968  1
  Ni  Ni191  1  0.980104  0.647190  0.625677  1
  Ni  Ni192  1  0.949688  0.950146  0.648537  1
  Ni  Ni193  1  0.313447  0.313464  0.625453  1
  Ni  Ni194  1  0.282847  0.616376  0.647748  1
  Ni  Ni195  1  0.343661  0.011032  0.603491  1
  Ni  Ni196  1  0.617056  0.282808  0.648295  1
  Ni  Ni197  1  0.677500  0.677315  0.603445  1
  Ni  Ni198  1  0.010613  0.343576  0.603401  1
  Ni  Ni199  1  0.449290  0.949999  0.647854  1
  Ni  Ni200  1  0.783945  0.616277  0.647857  1
  Ni  Ni201  1  0.752351  0.919104  0.670621  1
  Ni  Ni202  1  0.116398  0.282900  0.648148  1
  Ni  Ni203  1  0.176903  0.677569  0.603439  1
  Ni  Ni204  1  0.146503  0.980665  0.625695  1
  Ni  Ni205  1  0.511014  0.343627  0.603458  1
  Ni  Ni206  1  0.479901  0.646869  0.625477  1
  Ni  Ni207  1  0.813476  0.313119  0.625629  1
  Ni  Ni208  1  0.616044  0.783169  0.647685  1
  Ni  Ni209  1  0.950159  0.449077  0.647890  1
  Ni  Ni210  1  0.920171  0.752453  0.670777  1
  Ni  Ni211  1  0.282656  0.117529  0.648080  1
  Ni  Ni212  1  0.343922  0.510500  0.603345  1
  Ni  Ni213  1  0.313215  0.813561  0.625601  1
  Ni  Ni214  1  0.585440  0.086373  0.670637  1
  Ni  Ni215  1  0.647150  0.479870  0.625493  1
  Ni  Ni216  1  0.979892  0.146748  0.625801  1
  Ni  Ni217  1  0.321722  0.652469  0.734871  1
  Ni  Ni218  1  0.752717  0.419537  0.669915  1
  Ni  Ni219  1  0.721028  0.721103  0.691873  1
  Ni  Ni220  1  0.086568  0.086510  0.670225  1
  Ni  Ni221  1  0.054078  0.386303  0.692312  1
  Ni  Ni222  1  0.025896  0.688266  0.715023  1
  Ni  Ni223  1  0.387204  0.055417  0.692190  1
  Ni  Ni224  1  0.355471  0.360407  0.714362  1
  Ni  Ni225  1  0.687448  0.021779  0.714712  1
  Ni  Ni226  1  0.553894  0.887483  0.691941  1
  Ni  Ni227  1  0.889702  0.554255  0.692353  1
  Ni  Ni228  1  0.855561  0.854471  0.714731  1
  Ni  Ni229  1  0.221879  0.222938  0.692881  1
  Ni  Ni230  1  0.186490  0.519313  0.713743  1
  Ni  Ni231  1  0.252658  0.919559  0.669902  1
  Ni  Ni232  1  0.519929  0.189443  0.714539  1
  Ni  Ni233  1  0.586033  0.586066  0.669604  1
  Ni  Ni234  1  0.918572  0.252677  0.670104  1
  Ni  Ni235  1  0.356516  0.852272  0.714380  1
  Ni  Ni236  1  0.686202  0.524482  0.714171  1
  Ni  Ni237  1  0.655756  0.822063  0.735891  1
  Ni  Ni238  1  0.021581  0.188161  0.713995  1
  Ni  Ni239  1  0.086014  0.585536  0.669656  1
  Ni  Ni240  1  0.055381  0.889854  0.692979  1
  Ni  Ni241  1  0.419071  0.253961  0.670017  1
  Ni  Ni242  1  0.388825  0.553844  0.691950  1
  Ni  Ni243  1  0.721835  0.222051  0.693015  1
  Ni  Ni244  1  0.522384  0.689528  0.714534  1
  Ni  Ni245  1  0.854605  0.359665  0.714411  1
  Ni  Ni246  1  0.823032  0.655354  0.735438  1
  Ni  Ni247  1  0.193507  0.022273  0.714471  1
  Ni  Ni248  1  0.252427  0.418966  0.669586  1
  Ni  Ni249  1  0.220105  0.721447  0.692075  1
  Ni  Ni250  1  0.487862  0.988381  0.735487  1
  Ni  Ni251  1  0.555366  0.387689  0.692438  1
  Ni  Ni252  1  0.887705  0.054891  0.692787  1
