# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.75743501
_cell_length_b   13.21133592
_cell_length_c   46.19706246
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.53095982
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   6262.72368208
_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  0.809559  0.662955  0.292091  1
  Ni  Ni2  1  0.142893  0.329622  0.292091  1
  Ni  Ni3  1  0.200795  0.673417  0.282223  1
  Ni  Ni4  1  0.420686  0.652718  0.301645  1
  Ni  Ni5  1  0.754019  0.319385  0.301645  1
  Ni  Ni6  1  0.087353  0.986052  0.301645  1
  Ni  Ni7  1  0.476226  0.996289  0.292091  1
  Ni  Ni8  1  0.534128  0.340084  0.282223  1
  Ni  Ni9  1  0.867462  0.006751  0.282223  1
  Ni  Ni10  1  0.829237  0.479227  0.308002  1
  Ni  Ni11  1  0.162570  0.145894  0.308002  1
  Ni  Ni12  1  0.218733  0.489459  0.298018  1
  Ni  Ni13  1  0.607870  0.499746  0.288637  1
  Ni  Ni14  1  0.941203  0.166412  0.288637  1
  Ni  Ni15  1  0.274537  0.833079  0.288637  1
  Ni  Ni16  1  0.495903  0.812561  0.308002  1
  Ni  Ni17  1  0.552066  0.156126  0.298018  1
  Ni  Ni18  1  0.885400  0.822793  0.298018  1
  Ni  Ni19  1  0.638055  0.634539  0.322901  1
  Ni  Ni20  1  0.971388  0.301206  0.322901  1
  Ni  Ni21  1  0.028117  0.642718  0.312153  1
  Ni  Ni22  1  0.246550  0.625737  0.333518  1
  Ni  Ni23  1  0.579884  0.292403  0.333518  1
  Ni  Ni24  1  0.913217  0.959070  0.333518  1
  Ni  Ni25  1  0.304722  0.967872  0.322901  1
  Ni  Ni26  1  0.361450  0.309385  0.312153  1
  Ni  Ni27  1  0.694783  0.976051  0.312153  1
  Ni  Ni28  1  0.652722  0.452661  0.340175  1
  Ni  Ni29  1  0.986055  0.119328  0.340175  1
  Ni  Ni30  1  0.043524  0.462462  0.329525  1
  Ni  Ni31  1  0.433312  0.471633  0.319478  1
  Ni  Ni32  1  0.766645  0.138300  0.319478  1
  Ni  Ni33  1  0.099978  0.804966  0.319478  1
  Ni  Ni34  1  0.319388  0.785995  0.340175  1
  Ni  Ni35  1  0.376858  0.129129  0.329525  1
  Ni  Ni36  1  0.710191  0.795795  0.329525  1
  Ni  Ni37  1  0.463495  0.607538  0.354010  1
  Ni  Ni38  1  0.796828  0.274204  0.354010  1
  Ni  Ni39  1  0.854909  0.615949  0.343827  1
  Ni  Ni40  1  0.071701  0.598787  0.364415  1
  Ni  Ni41  1  0.405034  0.265454  0.364415  1
  Ni  Ni42  1  0.738367  0.932121  0.364415  1
  Ni  Ni43  1  0.130162  0.940871  0.354010  1
  Ni  Ni44  1  0.188242  0.282616  0.343827  1
  Ni  Ni45  1  0.521576  0.949282  0.343827  1
  Ni  Ni46  1  0.477804  0.426098  0.371315  1
  Ni  Ni47  1  0.811137  0.092765  0.371315  1
  Ni  Ni48  1  0.868958  0.435110  0.360835  1
  Ni  Ni49  1  0.260223  0.443741  0.350499  1
  Ni  Ni50  1  0.593557  0.110407  0.350499  1
  Ni  Ni51  1  0.926890  0.777074  0.350499  1
  Ni  Ni52  1  0.144471  0.759432  0.371315  1
  Ni  Ni53  1  0.202291  0.101776  0.360835  1
  Ni  Ni54  1  0.535625  0.768443  0.360835  1
  Ni  Ni55  1  0.288745  0.580393  0.385317  1
  Ni  Ni56  1  0.622078  0.247060  0.385317  1
  Ni  Ni57  1  0.679996  0.589568  0.374866  1
  Ni  Ni58  1  0.897160  0.571453  0.395736  1
  Ni  Ni59  1  0.230493  0.238120  0.395736  1
  Ni  Ni60  1  0.563826  0.904786  0.395736  1
  Ni  Ni61  1  0.955411  0.913727  0.385317  1
  Ni  Ni62  1  0.013329  0.256235  0.374866  1
  Ni  Ni63  1  0.346663  0.922901  0.374866  1
  Ni  Ni64  1  0.303644  0.398785  0.402571  1
  Ni  Ni65  1  0.636977  0.065451  0.402571  1
  Ni  Ni66  1  0.695190  0.407745  0.392167  1
  Ni  Ni67  1  0.086217  0.417037  0.381631  1
  Ni  Ni68  1  0.419550  0.083704  0.381631  1
  Ni  Ni69  1  0.752884  0.750371  0.381631  1
  Ni  Ni70  1  0.970310  0.732118  0.402571  1
  Ni  Ni71  1  0.028523  0.074412  0.392167  1
  Ni  Ni72  1  0.361856  0.741078  0.392167  1
  Ni  Ni73  1  0.114283  0.553320  0.416533  1
  Ni  Ni74  1  0.447616  0.219987  0.416533  1
  Ni  Ni75  1  0.505813  0.562339  0.406145  1
  Ni  Ni76  1  0.722884  0.544282  0.426982  1
  Ni  Ni77  1  0.056218  0.210949  0.426982  1
  Ni  Ni78  1  0.389551  0.877615  0.426982  1
  Ni  Ni79  1  0.780950  0.886653  0.416533  1
  Ni  Ni80  1  0.839147  0.229005  0.406145  1
  Ni  Ni81  1  0.172480  0.895672  0.406145  1
  Ni  Ni82  1  0.129470  0.371730  0.433819  1
  Ni  Ni83  1  0.462804  0.038396  0.433819  1
  Ni  Ni84  1  0.520915  0.380701  0.423422  1
  Ni  Ni85  1  0.912358  0.389773  0.412978  1
  Ni  Ni86  1  0.245691  0.056440  0.412978  1
  Ni  Ni87  1  0.579025  0.723107  0.412978  1
  Ni  Ni88  1  0.796137  0.705063  0.433819  1
  Ni  Ni89  1  0.854248  0.047368  0.423422  1
  Ni  Ni90  1  0.187581  0.714034  0.423422  1
  Ni  Ni91  1  0.940020  0.526243  0.447828  1
  Ni  Ni92  1  0.273353  0.192910  0.447828  1
  Ni  Ni93  1  0.331462  0.535244  0.437407  1
  Ni  Ni94  1  0.548647  0.517163  0.458259  1
  Ni  Ni95  1  0.881981  0.183829  0.458259  1
  Ni  Ni96  1  0.215314  0.850496  0.458259  1
  Ni  Ni97  1  0.606686  0.859577  0.447828  1
  Ni  Ni98  1  0.664796  0.201911  0.437407  1
  Ni  Ni99  1  0.998129  0.868577  0.437407  1
  Ni  Ni100  1  0.955327  0.344571  0.465110  1
  Ni  Ni101  1  0.288661  0.011238  0.465110  1
  Ni  Ni102  1  0.346713  0.353596  0.454688  1
  Ni  Ni103  1  0.738150  0.362623  0.444273  1
  Ni  Ni104  1  0.071483  0.029290  0.444273  1
  Ni  Ni105  1  0.404816  0.695956  0.444273  1
  Ni  Ni106  1  0.621994  0.677904  0.465110  1
  Ni  Ni107  1  0.680047  0.020262  0.454688  1
  Ni  Ni108  1  0.013380  0.686929  0.454688  1
  Ni  Ni109  1  0.765814  0.499104  0.479104  1
  Ni  Ni110  1  0.099147  0.165771  0.479104  1
  Ni  Ni111  1  0.157210  0.508151  0.468665  1
  Ni  Ni112  1  0.374405  0.490069  0.489526  1
  Ni  Ni113  1  0.707739  0.156735  0.489526  1
  Ni  Ni114  1  0.041072  0.823402  0.489526  1
  Ni  Ni115  1  0.432480  0.832438  0.479104  1
  Ni  Ni116  1  0.490543  0.174818  0.468665  1
  Ni  Ni117  1  0.823876  0.841485  0.468665  1
  Ni  Ni118  1  0.781118  0.317444  0.496393  1
  Ni  Ni119  1  0.114451  0.984111  0.496393  1
  Ni  Ni120  1  0.172499  0.326512  0.485957  1
  Ni  Ni121  1  0.563921  0.335519  0.475547  1
  Ni  Ni122  1  0.897254  1.002186  0.475547  1
  Ni  Ni123  1  0.230588  0.668853  0.475547  1
  Ni  Ni124  1  0.447784  0.650777  0.496393  1
  Ni  Ni125  1  0.505832  0.993178  0.485957  1
  Ni  Ni126  1  0.839165  0.659845  0.485957  1
  Ni  Ni127  1  0.591609  0.471980  0.510382  1
  Ni  Ni128  1  0.924942  0.138646  0.510382  1
  Ni  Ni129  1  0.982990  0.481047  0.499945  1
  Ni  Ni130  1  0.200186  0.462972  0.520792  1
  Ni  Ni131  1  0.533520  0.129639  0.520792  1
  Ni  Ni132  1  0.866853  0.796305  0.520792  1
  Ni  Ni133  1  0.258275  0.805313  0.510382  1
  Ni  Ni134  1  0.316323  0.147714  0.499945  1
  Ni  Ni135  1  0.649656  0.814381  0.499945  1
  Ni  Ni136  1  0.606898  0.290340  0.527674  1
  Ni  Ni137  1  0.940231  0.957007  0.527674  1
  Ni  Ni138  1  0.998294  0.299387  0.517235  1
  Ni  Ni139  1  0.389702  0.308423  0.506813  1
  Ni  Ni140  1  0.723035  0.975089  0.506813  1
  Ni  Ni141  1  0.056369  0.641756  0.506813  1
  Ni  Ni142  1  0.273564  0.623673  0.527674  1
  Ni  Ni143  1  0.331627  0.966054  0.517235  1
  Ni  Ni144  1  0.664960  0.632720  0.517235  1
  Ni  Ni145  1  0.417394  0.444896  0.541651  1
  Ni  Ni146  1  0.750728  0.111562  0.541651  1
  Ni  Ni147  1  0.808780  0.453920  0.531228  1
  Ni  Ni148  1  0.025958  0.435868  0.552066  1
  Ni  Ni149  1  0.359291  0.102535  0.552066  1
  Ni  Ni150  1  0.692624  0.769202  0.552066  1
  Ni  Ni151  1  0.084061  0.778229  0.541651  1
  Ni  Ni152  1  0.142113  0.120587  0.531228  1
  Ni  Ni153  1  0.475447  0.787253  0.531228  1
  Ni  Ni154  1  0.432645  0.263247  0.558932  1
  Ni  Ni155  1  0.765979  0.929914  0.558932  1
  Ni  Ni156  1  0.824088  0.272248  0.548511  1
  Ni  Ni157  1  0.215460  0.281329  0.538080  1
  Ni  Ni158  1  0.548793  0.947995  0.538080  1
  Ni  Ni159  1  0.882127  0.614662  0.538080  1
  Ni  Ni160  1  0.099312  0.596581  0.558932  1
  Ni  Ni161  1  0.157421  0.938915  0.548511  1
  Ni  Ni162  1  0.490754  0.605581  0.548511  1
  Ni  Ni163  1  0.243193  0.417790  0.572917  1
  Ni  Ni164  1  0.576526  0.084457  0.572917  1
  Ni  Ni165  1  0.634637  0.426762  0.562520  1
  Ni  Ni166  1  0.851749  0.408718  0.583360  1
  Ni  Ni167  1  0.185083  0.075385  0.583360  1
  Ni  Ni168  1  0.518416  0.742051  0.583360  1
  Ni  Ni169  1  0.909859  0.751124  0.572917  1
  Ni  Ni170  1  0.967970  0.093428  0.562520  1
  Ni  Ni171  1  0.301304  0.760095  0.562520  1
  Ni  Ni172  1  0.258294  0.236153  0.590193  1
  Ni  Ni173  1  0.591627  0.902819  0.590193  1
  Ni  Ni174  1  0.649825  0.245171  0.579806  1
  Ni  Ni175  1  0.041223  0.254209  0.569357  1
  Ni  Ni176  1  0.374556  0.920876  0.569357  1
  Ni  Ni177  1  0.707890  0.587543  0.569357  1
  Ni  Ni178  1  0.924961  0.569486  0.590193  1
  Ni  Ni179  1  0.983158  0.911838  0.579806  1
  Ni  Ni180  1  0.316491  0.578505  0.579806  1
  Ni  Ni181  1  0.068918  0.390746  0.604172  1
  Ni  Ni182  1  0.402251  0.057413  0.604172  1
  Ni  Ni183  1  0.460464  0.399707  0.593768  1
  Ni  Ni184  1  0.677890  0.381454  0.614708  1
  Ni  Ni185  1  0.011224  0.048121  0.614708  1
  Ni  Ni186  1  0.344557  0.714787  0.614708  1
  Ni  Ni187  1  0.735584  0.724079  0.604172  1
  Ni  Ni188  1  0.793797  0.066373  0.593768  1
  Ni  Ni189  1  0.127130  0.733040  0.593768  1
  Ni  Ni190  1  0.084112  0.208923  0.621473  1
  Ni  Ni191  1  0.417445  0.875590  0.621473  1
  Ni  Ni192  1  0.475363  0.218098  0.611021  1
  Ni  Ni193  1  0.866948  0.227038  0.600603  1
  Ni  Ni194  1  0.200281  0.893705  0.600603  1
  Ni  Ni195  1  0.533615  0.560372  0.600603  1
  Ni  Ni196  1  0.750778  0.542257  0.621473  1
  Ni  Ni197  1  0.808696  0.884765  0.611021  1
  Ni  Ni198  1  0.142029  0.551431  0.611021  1
  Ni  Ni199  1  0.895149  0.363382  0.635504  1
  Ni  Ni200  1  0.228483  0.030048  0.635504  1
  Ni  Ni201  1  0.286303  0.372393  0.625024  1
  Ni  Ni202  1  0.503884  0.354750  0.645840  1
  Ni  Ni203  1  0.837217  0.021417  0.645840  1
  Ni  Ni204  1  0.170551  0.688084  0.645840  1
  Ni  Ni205  1  0.561816  0.696715  0.635504  1
  Ni  Ni206  1  0.619637  0.039060  0.625024  1
  Ni  Ni207  1  0.952970  0.705726  0.625024  1
  Ni  Ni208  1  0.909198  0.182542  0.652512  1
  Ni  Ni209  1  0.242532  0.849209  0.652512  1
  Ni  Ni210  1  0.300612  0.190954  0.642329  1
  Ni  Ni211  1  0.692407  0.199704  0.631924  1
  Ni  Ni212  1  0.025740  0.866371  0.631924  1
  Ni  Ni213  1  0.359074  0.533037  0.631924  1
  Ni  Ni214  1  0.575865  0.515875  0.652512  1
  Ni  Ni215  1  0.633946  0.857620  0.642329  1
  Ni  Ni216  1  0.967279  0.524287  0.642329  1
  Ni  Ni217  1  0.720583  0.336029  0.666814  1
  Ni  Ni218  1  0.053916  0.002696  0.666814  1
  Ni  Ni219  1  0.111386  0.345830  0.656164  1
  Ni  Ni220  1  0.330796  0.326858  0.676861  1
  Ni  Ni221  1  0.664129  0.993525  0.676861  1
  Ni  Ni222  1  0.997462  0.660191  0.676861  1
  Ni  Ni223  1  0.387250  0.669363  0.666814  1
  Ni  Ni224  1  0.444719  0.012497  0.656164  1
  Ni  Ni225  1  0.778052  0.679163  0.656164  1
  Ni  Ni226  1  0.735991  0.155773  0.684186  1
  Ni  Ni227  1  0.069324  0.822440  0.684186  1
  Ni  Ni228  1  0.126052  0.163952  0.673438  1
  Ni  Ni229  1  0.517557  0.172755  0.662821  1
  Ni  Ni230  1  0.850890  0.839421  0.662821  1
  Ni  Ni231  1  0.184224  0.506088  0.662821  1
  Ni  Ni232  1  0.402657  0.489107  0.684186  1
  Ni  Ni233  1  0.459386  0.830619  0.673438  1
  Ni  Ni234  1  0.792719  0.497286  0.673438  1
  Ni  Ni235  1  0.545374  0.309032  0.698321  1
  Ni  Ni236  1  0.878708  0.975699  0.698321  1
  Ni  Ni237  1  0.934871  0.319264  0.688337  1
  Ni  Ni238  1  0.156238  0.298746  0.707702  1
  Ni  Ni239  1  0.489571  0.965412  0.707702  1
  Ni  Ni240  1  0.822904  0.632079  0.707702  1
  Ni  Ni241  1  0.212041  0.642365  0.698321  1
  Ni  Ni242  1  0.268204  0.985931  0.688337  1
  Ni  Ni243  1  0.601537  0.652597  0.688337  1
  Ni  Ni244  1  0.563313  0.125074  0.714116  1
  Ni  Ni245  1  0.896646  0.791740  0.714116  1
  Ni  Ni246  1  0.954548  0.135536  0.704248  1
  Ni  Ni247  1  0.343421  0.145773  0.694694  1
  Ni  Ni248  1  0.676755  0.812439  0.694694  1
  Ni  Ni249  1  0.010088  0.479106  0.694694  1
  Ni  Ni250  1  0.229979  0.458407  0.714116  1
  Ni  Ni251  1  0.287881  0.802203  0.704248  1
  Ni  Ni252  1  0.621215  0.468869  0.704248  1
