# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.71200650
_cell_length_b   13.38649585
_cell_length_c   46.18515849
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.81979297
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   6327.27233099
_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  0.808825  0.672541  0.293627  1
  Ni  Ni2  1  0.142158  0.339208  0.293627  1
  Ni  Ni3  1  0.202653  0.682669  0.284143  1
  Ni  Ni4  1  0.420124  0.662045  0.301752  1
  Ni  Ni5  1  0.753458  0.328712  0.301752  1
  Ni  Ni6  1  0.086791  0.995379  0.301752  1
  Ni  Ni7  1  0.475492  0.005875  0.293627  1
  Ni  Ni8  1  0.535987  0.349336  0.284143  1
  Ni  Ni9  1  0.869320  0.016003  0.284143  1
  Ni  Ni10  1  0.828001  0.488844  0.307909  1
  Ni  Ni11  1  0.161335  0.155511  0.307909  1
  Ni  Ni12  1  0.217553  0.499738  0.298791  1
  Ni  Ni13  1  0.605762  0.508585  0.290075  1
  Ni  Ni14  1  0.939095  0.175251  0.290075  1
  Ni  Ni15  1  0.272429  0.841918  0.290075  1
  Ni  Ni16  1  0.494668  0.822177  0.307909  1
  Ni  Ni17  1  0.550887  0.166404  0.298791  1
  Ni  Ni18  1  0.884220  0.833071  0.298791  1
  Ni  Ni19  1  0.635941  0.644666  0.322698  1
  Ni  Ni20  1  0.969274  0.311333  0.322698  1
  Ni  Ni21  1  0.026264  0.652166  0.311759  1
  Ni  Ni22  1  0.244278  0.636811  0.333855  1
  Ni  Ni23  1  0.577611  0.303478  0.333855  1
  Ni  Ni24  1  0.910944  0.970144  0.333855  1
  Ni  Ni25  1  0.302608  0.978000  0.322698  1
  Ni  Ni26  1  0.359597  0.318833  0.311759  1
  Ni  Ni27  1  0.692930  0.985499  0.311759  1
  Ni  Ni28  1  0.651072  0.463194  0.340046  1
  Ni  Ni29  1  0.984405  0.129860  0.340046  1
  Ni  Ni30  1  0.041270  0.474039  0.328993  1
  Ni  Ni31  1  0.430323  0.482509  0.319114  1
  Ni  Ni32  1  0.763657  0.149176  0.319114  1
  Ni  Ni33  1  0.096990  0.815842  0.319114  1
  Ni  Ni34  1  0.317738  0.796527  0.340046  1
  Ni  Ni35  1  0.374603  0.140706  0.328993  1
  Ni  Ni36  1  0.707937  0.807373  0.328993  1
  Ni  Ni37  1  0.461116  0.618813  0.353788  1
  Ni  Ni38  1  0.794450  0.285480  0.353788  1
  Ni  Ni39  1  0.852092  0.627150  0.343981  1
  Ni  Ni40  1  0.068893  0.610557  0.364140  1
  Ni  Ni41  1  0.402227  0.277224  0.364140  1
  Ni  Ni42  1  0.735560  0.943891  0.364140  1
  Ni  Ni43  1  0.127783  0.952147  0.353788  1
  Ni  Ni44  1  0.185426  0.293817  0.343981  1
  Ni  Ni45  1  0.518759  0.960484  0.343981  1
  Ni  Ni46  1  0.474980  0.438455  0.371056  1
  Ni  Ni47  1  0.808314  0.105122  0.371056  1
  Ni  Ni48  1  0.866768  0.446816  0.360457  1
  Ni  Ni49  1  0.257971  0.454625  0.350193  1
  Ni  Ni50  1  0.591304  0.121292  0.350193  1
  Ni  Ni51  1  0.924638  0.787959  0.350193  1
  Ni  Ni52  1  0.141647  0.771789  0.371056  1
  Ni  Ni53  1  0.200102  0.113483  0.360457  1
  Ni  Ni54  1  0.533435  0.780150  0.360457  1
  Ni  Ni55  1  0.285688  0.592711  0.385320  1
  Ni  Ni56  1  0.619022  0.259377  0.385320  1
  Ni  Ni57  1  0.677002  0.601553  0.374677  1
  Ni  Ni58  1  0.893943  0.584206  0.395723  1
  Ni  Ni59  1  0.227276  0.250873  0.395723  1
  Ni  Ni60  1  0.560610  0.917540  0.395723  1
  Ni  Ni61  1  0.952355  0.926044  0.385320  1
  Ni  Ni62  1  0.010336  0.268220  0.374677  1
  Ni  Ni63  1  0.343669  0.934886  0.374677  1
  Ni  Ni64  1  0.300643  0.411757  0.402422  1
  Ni  Ni65  1  0.633976  0.078424  0.402422  1
  Ni  Ni66  1  0.692506  0.420345  0.392026  1
  Ni  Ni67  1  0.083309  0.429637  0.381332  1
  Ni  Ni68  1  0.416642  0.096303  0.381332  1
  Ni  Ni69  1  0.749976  0.762970  0.381332  1
  Ni  Ni70  1  0.967309  0.745090  0.402422  1
  Ni  Ni71  1  0.025840  0.087011  0.392026  1
  Ni  Ni72  1  0.359173  0.753678  0.392026  1
  Ni  Ni73  1  0.110778  0.566789  0.416481  1
  Ni  Ni74  1  0.444111  0.233456  0.416481  1
  Ni  Ni75  1  0.502557  0.575454  0.406091  1
  Ni  Ni76  1  0.719282  0.558095  0.426972  1
  Ni  Ni77  1  0.052615  0.224761  0.426972  1
  Ni  Ni78  1  0.385948  0.891428  0.426972  1
  Ni  Ni79  1  0.777444  0.900123  0.416481  1
  Ni  Ni80  1  0.835890  0.242121  0.406091  1
  Ni  Ni81  1  0.169224  0.908787  0.406091  1
  Ni  Ni82  1  0.126056  0.385884  0.433752  1
  Ni  Ni83  1  0.459390  0.052551  0.433752  1
  Ni  Ni84  1  0.517636  0.394494  0.423345  1
  Ni  Ni85  1  0.909329  0.403164  0.412832  1
  Ni  Ni86  1  0.242662  0.069830  0.412832  1
  Ni  Ni87  1  0.575995  0.736497  0.412832  1
  Ni  Ni88  1  0.792723  0.719217  0.433752  1
  Ni  Ni89  1  0.850969  0.061161  0.423345  1
  Ni  Ni90  1  0.184303  0.727827  0.423345  1
  Ni  Ni91  1  0.936144  0.540764  0.447898  1
  Ni  Ni92  1  0.269477  0.207431  0.447898  1
  Ni  Ni93  1  0.327738  0.549405  0.437462  1
  Ni  Ni94  1  0.544674  0.532037  0.458343  1
  Ni  Ni95  1  0.878007  0.198704  0.458343  1
  Ni  Ni96  1  0.211341  0.865370  0.458343  1
  Ni  Ni97  1  0.602811  0.874097  0.447898  1
  Ni  Ni98  1  0.661071  0.216071  0.437462  1
  Ni  Ni99  1  0.994405  0.882738  0.437462  1
  Ni  Ni100  1  0.951586  0.359725  0.465147  1
  Ni  Ni101  1  0.284919  0.026392  0.465147  1
  Ni  Ni102  1  0.343076  0.368385  0.454702  1
  Ni  Ni103  1  0.734688  0.377069  0.444267  1
  Ni  Ni104  1  0.068021  0.043736  0.444267  1
  Ni  Ni105  1  0.401354  0.710402  0.444267  1
  Ni  Ni106  1  0.618253  0.693059  0.465147  1
  Ni  Ni107  1  0.676409  0.035052  0.454702  1
  Ni  Ni108  1  0.009743  0.701718  0.454702  1
  Ni  Ni109  1  0.761553  0.514690  0.479244  1
  Ni  Ni110  1  0.094887  0.181357  0.479244  1
  Ni  Ni111  1  0.153076  0.523385  0.468769  1
  Ni  Ni112  1  0.370029  0.506006  0.489700  1
  Ni  Ni113  1  0.703363  0.172672  0.489700  1
  Ni  Ni114  1  0.036696  0.839339  0.489700  1
  Ni  Ni115  1  0.428220  0.848024  0.479244  1
  Ni  Ni116  1  0.486409  0.190052  0.468769  1
  Ni  Ni117  1  0.819743  0.856718  0.468769  1
  Ni  Ni118  1  0.776992  0.333653  0.496528  1
  Ni  Ni119  1  0.110326  1.000319  0.496528  1
  Ni  Ni120  1  0.168469  0.342384  0.486057  1
  Ni  Ni121  1  0.560033  0.351036  0.475627  1
  Ni  Ni122  1  0.893366  0.017703  0.475627  1
  Ni  Ni123  1  0.226699  0.684369  0.475627  1
  Ni  Ni124  1  0.443659  0.666986  0.496528  1
  Ni  Ni125  1  0.501803  0.009051  0.486057  1
  Ni  Ni126  1  0.835136  0.675717  0.486057  1
  Ni  Ni127  1  0.586988  0.488607  0.510615  1
  Ni  Ni128  1  0.920322  0.155273  0.510615  1
  Ni  Ni129  1  0.978466  0.497338  0.500143  1
  Ni  Ni130  1  0.195425  0.479955  0.521045  1
  Ni  Ni131  1  0.528759  0.146621  0.521045  1
  Ni  Ni132  1  0.862092  0.813288  0.521045  1
  Ni  Ni133  1  0.253655  0.821940  0.510615  1
  Ni  Ni134  1  0.311799  0.164005  0.500143  1
  Ni  Ni135  1  0.645132  0.830671  0.500143  1
  Ni  Ni136  1  0.602382  0.307606  0.527902  1
  Ni  Ni137  1  0.935715  0.974272  0.527902  1
  Ni  Ni138  1  0.993904  0.316300  0.517427  1
  Ni  Ni139  1  0.385429  0.324985  0.506972  1
  Ni  Ni140  1  0.718762  0.991652  0.506972  1
  Ni  Ni141  1  0.052095  0.658318  0.506972  1
  Ni  Ni142  1  0.269048  0.640939  0.527902  1
  Ni  Ni143  1  0.327238  0.982967  0.517427  1
  Ni  Ni144  1  0.660571  0.649634  0.517427  1
  Ni  Ni145  1  0.412382  0.462606  0.541970  1
  Ni  Ni146  1  0.745715  0.129272  0.541970  1
  Ni  Ni147  1  0.803872  0.471265  0.531524  1
  Ni  Ni148  1  0.020770  0.453922  0.552404  1
  Ni  Ni149  1  0.354103  0.120588  0.552404  1
  Ni  Ni150  1  0.687437  0.787255  0.552404  1
  Ni  Ni151  1  0.079049  0.795939  0.541970  1
  Ni  Ni152  1  0.137205  0.137932  0.531524  1
  Ni  Ni153  1  0.470538  0.804599  0.531524  1
  Ni  Ni154  1  0.427720  0.281586  0.559210  1
  Ni  Ni155  1  0.761053  0.948253  0.559210  1
  Ni  Ni156  1  0.819314  0.290227  0.548773  1
  Ni  Ni157  1  0.210784  0.298954  0.538328  1
  Ni  Ni158  1  0.544117  0.965620  0.538328  1
  Ni  Ni159  1  0.877451  0.632287  0.538328  1
  Ni  Ni160  1  0.094386  0.614919  0.559210  1
  Ni  Ni161  1  0.152647  0.956893  0.548773  1
  Ni  Ni162  1  0.485980  0.623560  0.548773  1
  Ni  Ni163  1  0.237822  0.436497  0.573327  1
  Ni  Ni164  1  0.571155  0.103163  0.573327  1
  Ni  Ni165  1  0.629401  0.445106  0.562920  1
  Ni  Ni166  1  0.846129  0.427827  0.583839  1
  Ni  Ni167  1  0.179463  0.094494  0.583839  1
  Ni  Ni168  1  0.512796  0.761160  0.583839  1
  Ni  Ni169  1  0.904488  0.769830  0.573327  1
  Ni  Ni170  1  0.962735  0.111773  0.562920  1
  Ni  Ni171  1  0.296068  0.778440  0.562920  1
  Ni  Ni172  1  0.252901  0.255537  0.590581  1
  Ni  Ni173  1  0.586234  0.922203  0.590581  1
  Ni  Ni174  1  0.644680  0.264201  0.580191  1
  Ni  Ni175  1  0.036176  0.272896  0.569699  1
  Ni  Ni176  1  0.369510  0.939563  0.569699  1
  Ni  Ni177  1  0.702843  0.606229  0.569699  1
  Ni  Ni178  1  0.919567  0.588870  0.590581  1
  Ni  Ni179  1  0.978013  0.930868  0.580191  1
  Ni  Ni180  1  0.311347  0.597535  0.580191  1
  Ni  Ni181  1  0.062952  0.410646  0.604645  1
  Ni  Ni182  1  0.396285  0.077313  0.604645  1
  Ni  Ni183  1  0.454815  0.419234  0.594249  1
  Ni  Ni184  1  0.672149  0.401354  0.615340  1
  Ni  Ni185  1  0.005482  0.068021  0.615340  1
  Ni  Ni186  1  0.338815  0.734687  0.615340  1
  Ni  Ni187  1  0.729618  0.743979  0.604645  1
  Ni  Ni188  1  0.788148  0.085900  0.594249  1
  Ni  Ni189  1  0.121482  0.752567  0.594249  1
  Ni  Ni190  1  0.078456  0.229437  0.621995  1
  Ni  Ni191  1  0.411789  0.896104  0.621995  1
  Ni  Ni192  1  0.469769  0.238280  0.611351  1
  Ni  Ni193  1  0.861515  0.246784  0.600949  1
  Ni  Ni194  1  0.194848  0.913451  0.600949  1
  Ni  Ni195  1  0.528182  0.580118  0.600949  1
  Ni  Ni196  1  0.745122  0.562771  0.621995  1
  Ni  Ni197  1  0.803103  0.904947  0.611351  1
  Ni  Ni198  1  0.136436  0.571613  0.611351  1
  Ni  Ni199  1  0.888689  0.384174  0.636215  1
  Ni  Ni200  1  0.222023  0.050841  0.636215  1
  Ni  Ni201  1  0.280477  0.392535  0.625616  1
  Ni  Ni202  1  0.497487  0.376365  0.646479  1
  Ni  Ni203  1  0.830820  0.043032  0.646479  1
  Ni  Ni204  1  0.164154  0.709699  0.646479  1
  Ni  Ni205  1  0.555356  0.717508  0.636215  1
  Ni  Ni206  1  0.613811  0.059202  0.625616  1
  Ni  Ni207  1  0.947144  0.725869  0.625616  1
  Ni  Ni208  1  0.903365  0.203840  0.652691  1
  Ni  Ni209  1  0.236699  0.870507  0.652691  1
  Ni  Ni210  1  0.294342  0.212177  0.642884  1
  Ni  Ni211  1  0.686565  0.220433  0.632531  1
  Ni  Ni212  1  0.019898  0.887100  0.632531  1
  Ni  Ni213  1  0.353231  0.553767  0.632531  1
  Ni  Ni214  1  0.570032  0.537174  0.652691  1
  Ni  Ni215  1  0.627675  0.878844  0.642884  1
  Ni  Ni216  1  0.961008  0.545511  0.642884  1
  Ni  Ni217  1  0.714188  0.356951  0.667678  1
  Ni  Ni218  1  0.047521  0.023618  0.667678  1
  Ni  Ni219  1  0.104386  0.367797  0.656625  1
  Ni  Ni220  1  0.325134  0.348482  0.677558  1
  Ni  Ni221  1  0.658468  0.015148  0.677558  1
  Ni  Ni222  1  0.991801  0.681815  0.677558  1
  Ni  Ni223  1  0.380855  0.690285  0.667678  1
  Ni  Ni224  1  0.437719  0.034464  0.656625  1
  Ni  Ni225  1  0.771053  0.701130  0.656625  1
  Ni  Ni226  1  0.729194  0.178825  0.684913  1
  Ni  Ni227  1  0.062527  0.845491  0.684913  1
  Ni  Ni228  1  0.119517  0.186324  0.673974  1
  Ni  Ni229  1  0.511180  0.194180  0.662817  1
  Ni  Ni230  1  0.844514  0.860846  0.662817  1
  Ni  Ni231  1  0.177847  0.527513  0.662817  1
  Ni  Ni232  1  0.395861  0.512158  0.684913  1
  Ni  Ni233  1  0.452850  0.852991  0.673974  1
  Ni  Ni234  1  0.786184  0.519658  0.673974  1
  Ni  Ni235  1  0.537905  0.331253  0.697880  1
  Ni  Ni236  1  0.871238  0.997920  0.697880  1
  Ni  Ni237  1  0.927456  0.342147  0.688763  1
  Ni  Ni238  1  0.149696  0.322406  0.706596  1
  Ni  Ni239  1  0.483029  0.989073  0.706596  1
  Ni  Ni240  1  0.816363  0.655739  0.706596  1
  Ni  Ni241  1  0.204571  0.664586  0.697880  1
  Ni  Ni242  1  0.260790  0.008813  0.688763  1
  Ni  Ni243  1  0.594123  0.675480  0.688763  1
  Ni  Ni244  1  0.552804  0.148321  0.712528  1
  Ni  Ni245  1  0.886138  0.814988  0.712528  1
  Ni  Ni246  1  0.946633  0.158449  0.703044  1
  Ni  Ni247  1  0.335333  0.168945  0.694920  1
  Ni  Ni248  1  0.668667  0.835612  0.694920  1
  Ni  Ni249  1  1.002000  0.502279  0.694920  1
  Ni  Ni250  1  0.219471  0.481655  0.712528  1
  Ni  Ni251  1  0.279966  0.825116  0.703044  1
  Ni  Ni252  1  0.613299  0.491783  0.703044  1
