# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.75763742
_cell_length_b   13.21156111
_cell_length_c   46.19838606
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.53095974
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   6263.1277124
_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  0.809561  0.662947  0.292086  1
  Ni  Ni2  1  0.142895  0.329614  0.292086  1
  Ni  Ni3  1  0.200795  0.673409  0.282219  1
  Ni  Ni4  1  0.420682  0.652713  0.301639  1
  Ni  Ni5  1  0.754016  0.319379  0.301639  1
  Ni  Ni6  1  0.087349  0.986046  0.301639  1
  Ni  Ni7  1  0.476228  0.996281  0.292086  1
  Ni  Ni8  1  0.534128  0.340076  0.282219  1
  Ni  Ni9  1  0.867461  0.006742  0.282219  1
  Ni  Ni10  1  0.829226  0.479222  0.307997  1
  Ni  Ni11  1  0.162559  0.145889  0.307997  1
  Ni  Ni12  1  0.218725  0.489454  0.298013  1
  Ni  Ni13  1  0.607861  0.499738  0.288632  1
  Ni  Ni14  1  0.941195  0.166405  0.288632  1
  Ni  Ni15  1  0.274528  0.833071  0.288632  1
  Ni  Ni16  1  0.495893  0.812555  0.307997  1
  Ni  Ni17  1  0.552058  0.156121  0.298013  1
  Ni  Ni18  1  0.885391  0.822787  0.298013  1
  Ni  Ni19  1  0.638051  0.634534  0.322894  1
  Ni  Ni20  1  0.971384  0.301201  0.322894  1
  Ni  Ni21  1  0.028114  0.642713  0.312147  1
  Ni  Ni22  1  0.246547  0.625731  0.333511  1
  Ni  Ni23  1  0.579880  0.292398  0.333511  1
  Ni  Ni24  1  0.913213  0.959064  0.333511  1
  Ni  Ni25  1  0.304717  0.967867  0.322894  1
  Ni  Ni26  1  0.361448  0.309380  0.312147  1
  Ni  Ni27  1  0.694781  0.976047  0.312147  1
  Ni  Ni28  1  0.652713  0.452655  0.340168  1
  Ni  Ni29  1  0.986046  0.119322  0.340168  1
  Ni  Ni30  1  0.043515  0.462457  0.329518  1
  Ni  Ni31  1  0.433303  0.471627  0.319471  1
  Ni  Ni32  1  0.766637  0.138294  0.319471  1
  Ni  Ni33  1  0.099970  0.804961  0.319471  1
  Ni  Ni34  1  0.319380  0.785989  0.340168  1
  Ni  Ni35  1  0.376848  0.129123  0.329518  1
  Ni  Ni36  1  0.710182  0.795790  0.329518  1
  Ni  Ni37  1  0.463491  0.607531  0.354002  1
  Ni  Ni38  1  0.796824  0.274198  0.354002  1
  Ni  Ni39  1  0.854905  0.615943  0.343819  1
  Ni  Ni40  1  0.071696  0.598781  0.364407  1
  Ni  Ni41  1  0.405029  0.265448  0.364407  1
  Ni  Ni42  1  0.738363  0.932114  0.364407  1
  Ni  Ni43  1  0.130158  0.940865  0.354002  1
  Ni  Ni44  1  0.188238  0.282610  0.343819  1
  Ni  Ni45  1  0.521571  0.949277  0.343819  1
  Ni  Ni46  1  0.477795  0.426092  0.371307  1
  Ni  Ni47  1  0.811129  0.092758  0.371307  1
  Ni  Ni48  1  0.868950  0.435103  0.360827  1
  Ni  Ni49  1  0.260215  0.443735  0.350491  1
  Ni  Ni50  1  0.593548  0.110401  0.350491  1
  Ni  Ni51  1  0.926881  0.777068  0.350491  1
  Ni  Ni52  1  0.144462  0.759425  0.371307  1
  Ni  Ni53  1  0.202283  0.101770  0.360827  1
  Ni  Ni54  1  0.535617  0.768437  0.360827  1
  Ni  Ni55  1  0.288740  0.580387  0.385308  1
  Ni  Ni56  1  0.622073  0.247053  0.385308  1
  Ni  Ni57  1  0.679991  0.589562  0.374857  1
  Ni  Ni58  1  0.897155  0.571446  0.395726  1
  Ni  Ni59  1  0.230488  0.238113  0.395726  1
  Ni  Ni60  1  0.563821  0.904779  0.395726  1
  Ni  Ni61  1  0.955407  0.913720  0.385308  1
  Ni  Ni62  1  0.013325  0.256228  0.374857  1
  Ni  Ni63  1  0.346658  0.922895  0.374857  1
  Ni  Ni64  1  0.303636  0.398777  0.402561  1
  Ni  Ni65  1  0.636969  0.065444  0.402561  1
  Ni  Ni66  1  0.695182  0.407738  0.392157  1
  Ni  Ni67  1  0.086209  0.417031  0.381622  1
  Ni  Ni68  1  0.419542  0.083697  0.381622  1
  Ni  Ni69  1  0.752875  0.750364  0.381622  1
  Ni  Ni70  1  0.970302  0.732111  0.402561  1
  Ni  Ni71  1  0.028515  0.074405  0.392157  1
  Ni  Ni72  1  0.361848  0.741071  0.392157  1
  Ni  Ni73  1  0.114278  0.553313  0.416523  1
  Ni  Ni74  1  0.447612  0.219980  0.416523  1
  Ni  Ni75  1  0.505809  0.562332  0.406135  1
  Ni  Ni76  1  0.722880  0.544275  0.426971  1
  Ni  Ni77  1  0.056213  0.210941  0.426971  1
  Ni  Ni78  1  0.389546  0.877608  0.426971  1
  Ni  Ni79  1  0.780945  0.886646  0.416523  1
  Ni  Ni80  1  0.839142  0.228998  0.406135  1
  Ni  Ni81  1  0.172476  0.895665  0.406135  1
  Ni  Ni82  1  0.129462  0.371722  0.433808  1
  Ni  Ni83  1  0.462795  0.038389  0.433808  1
  Ni  Ni84  1  0.520906  0.380694  0.423411  1
  Ni  Ni85  1  0.912350  0.389766  0.412968  1
  Ni  Ni86  1  0.245683  0.056433  0.412968  1
  Ni  Ni87  1  0.579017  0.723099  0.412968  1
  Ni  Ni88  1  0.796129  0.705055  0.433808  1
  Ni  Ni89  1  0.854240  0.047360  0.423411  1
  Ni  Ni90  1  0.187573  0.714027  0.423411  1
  Ni  Ni91  1  0.940015  0.526236  0.447816  1
  Ni  Ni92  1  0.273348  0.192902  0.447816  1
  Ni  Ni93  1  0.331458  0.535236  0.437395  1
  Ni  Ni94  1  0.548643  0.517155  0.458246  1
  Ni  Ni95  1  0.881976  0.183822  0.458246  1
  Ni  Ni96  1  0.215309  0.850488  0.458246  1
  Ni  Ni97  1  0.606682  0.859569  0.447816  1
  Ni  Ni98  1  0.664791  0.201903  0.437395  1
  Ni  Ni99  1  0.998124  0.868570  0.437395  1
  Ni  Ni100  1  0.955319  0.344563  0.465098  1
  Ni  Ni101  1  0.288653  0.011230  0.465098  1
  Ni  Ni102  1  0.346705  0.353588  0.454675  1
  Ni  Ni103  1  0.738142  0.362615  0.444261  1
  Ni  Ni104  1  0.071475  0.029282  0.444261  1
  Ni  Ni105  1  0.404808  0.695949  0.444261  1
  Ni  Ni106  1  0.621986  0.677896  0.465098  1
  Ni  Ni107  1  0.680038  0.020254  0.454675  1
  Ni  Ni108  1  0.013372  0.686921  0.454675  1
  Ni  Ni109  1  0.765809  0.499096  0.479090  1
  Ni  Ni110  1  0.099142  0.165763  0.479090  1
  Ni  Ni111  1  0.157205  0.508143  0.468652  1
  Ni  Ni112  1  0.374401  0.490060  0.489512  1
  Ni  Ni113  1  0.707734  0.156727  0.489512  1
  Ni  Ni114  1  0.041067  0.823394  0.489512  1
  Ni  Ni115  1  0.432476  0.832430  0.479090  1
  Ni  Ni116  1  0.490538  0.174810  0.468652  1
  Ni  Ni117  1  0.823872  0.841477  0.468652  1
  Ni  Ni118  1  0.781110  0.317435  0.496379  1
  Ni  Ni119  1  0.114443  0.984102  0.496379  1
  Ni  Ni120  1  0.172491  0.326503  0.485944  1
  Ni  Ni121  1  0.563913  0.335511  0.475533  1
  Ni  Ni122  1  0.897246  1.002178  0.475533  1
  Ni  Ni123  1  0.230580  0.668844  0.475533  1
  Ni  Ni124  1  0.447776  0.650769  0.496379  1
  Ni  Ni125  1  0.505824  0.993170  0.485944  1
  Ni  Ni126  1  0.839157  0.659837  0.485944  1
  Ni  Ni127  1  0.591604  0.471971  0.510367  1
  Ni  Ni128  1  0.924938  0.138638  0.510367  1
  Ni  Ni129  1  0.982985  0.481039  0.499931  1
  Ni  Ni130  1  0.200182  0.462963  0.520777  1
  Ni  Ni131  1  0.533515  0.129630  0.520777  1
  Ni  Ni132  1  0.866848  0.796296  0.520777  1
  Ni  Ni133  1  0.258271  0.805304  0.510367  1
  Ni  Ni134  1  0.316318  0.147705  0.499931  1
  Ni  Ni135  1  0.649652  0.814372  0.499931  1
  Ni  Ni136  1  0.606890  0.290331  0.527658  1
  Ni  Ni137  1  0.940223  0.956998  0.527658  1
  Ni  Ni138  1  0.998286  0.299378  0.517220  1
  Ni  Ni139  1  0.389694  0.308414  0.506799  1
  Ni  Ni140  1  0.723027  0.975080  0.506799  1
  Ni  Ni141  1  0.056361  0.641747  0.506799  1
  Ni  Ni142  1  0.273556  0.623664  0.527658  1
  Ni  Ni143  1  0.331619  0.966045  0.517220  1
  Ni  Ni144  1  0.664952  0.632711  0.517220  1
  Ni  Ni145  1  0.417390  0.444887  0.541635  1
  Ni  Ni146  1  0.750723  0.111553  0.541635  1
  Ni  Ni147  1  0.808776  0.453911  0.531213  1
  Ni  Ni148  1  0.025953  0.435859  0.552049  1
  Ni  Ni149  1  0.359287  0.102526  0.552049  1
  Ni  Ni150  1  0.692620  0.769192  0.552049  1
  Ni  Ni151  1  0.084056  0.778220  0.541635  1
  Ni  Ni152  1  0.142109  0.120578  0.531213  1
  Ni  Ni153  1  0.475442  0.787244  0.531213  1
  Ni  Ni154  1  0.432637  0.263238  0.558915  1
  Ni  Ni155  1  0.765971  0.929904  0.558915  1
  Ni  Ni156  1  0.824080  0.272239  0.548494  1
  Ni  Ni157  1  0.215452  0.281319  0.538064  1
  Ni  Ni158  1  0.548785  0.947986  0.538064  1
  Ni  Ni159  1  0.882119  0.614653  0.538064  1
  Ni  Ni160  1  0.099304  0.596571  0.558915  1
  Ni  Ni161  1  0.157413  0.938905  0.548494  1
  Ni  Ni162  1  0.490746  0.605572  0.548494  1
  Ni  Ni163  1  0.243188  0.417781  0.572899  1
  Ni  Ni164  1  0.576522  0.084447  0.572899  1
  Ni  Ni165  1  0.634633  0.426752  0.562503  1
  Ni  Ni166  1  0.851745  0.408708  0.583342  1
  Ni  Ni167  1  0.185078  0.075375  0.583342  1
  Ni  Ni168  1  0.518411  0.742041  0.583342  1
  Ni  Ni169  1  0.909855  0.751114  0.572899  1
  Ni  Ni170  1  0.967966  0.093419  0.562503  1
  Ni  Ni171  1  0.301299  0.760085  0.562503  1
  Ni  Ni172  1  0.258286  0.236143  0.590175  1
  Ni  Ni173  1  0.591619  0.902809  0.590175  1
  Ni  Ni174  1  0.649817  0.245161  0.579788  1
  Ni  Ni175  1  0.041215  0.254199  0.569339  1
  Ni  Ni176  1  0.374548  0.920866  0.569339  1
  Ni  Ni177  1  0.707882  0.587533  0.569339  1
  Ni  Ni178  1  0.924953  0.569476  0.590175  1
  Ni  Ni179  1  0.983150  0.911828  0.579788  1
  Ni  Ni180  1  0.316483  0.578495  0.579788  1
  Ni  Ni181  1  0.068913  0.390736  0.604153  1
  Ni  Ni182  1  0.402246  0.057403  0.604153  1
  Ni  Ni183  1  0.460459  0.399697  0.593750  1
  Ni  Ni184  1  0.677886  0.381443  0.614689  1
  Ni  Ni185  1  0.011220  0.048110  0.614689  1
  Ni  Ni186  1  0.344553  0.714777  0.614689  1
  Ni  Ni187  1  0.735580  0.724069  0.604153  1
  Ni  Ni188  1  0.793793  0.066363  0.593750  1
  Ni  Ni189  1  0.127126  0.733030  0.593750  1
  Ni  Ni190  1  0.084104  0.208913  0.621454  1
  Ni  Ni191  1  0.417437  0.875579  0.621454  1
  Ni  Ni192  1  0.475355  0.218088  0.611002  1
  Ni  Ni193  1  0.866940  0.227028  0.600584  1
  Ni  Ni194  1  0.200273  0.893695  0.600584  1
  Ni  Ni195  1  0.533607  0.560361  0.600584  1
  Ni  Ni196  1  0.750770  0.542246  0.621454  1
  Ni  Ni197  1  0.808688  0.884754  0.611002  1
  Ni  Ni198  1  0.142021  0.551421  0.611002  1
  Ni  Ni199  1  0.895145  0.363371  0.635484  1
  Ni  Ni200  1  0.228478  0.030038  0.635484  1
  Ni  Ni201  1  0.286299  0.372382  0.625004  1
  Ni  Ni202  1  0.503880  0.354740  0.645819  1
  Ni  Ni203  1  0.837213  0.021406  0.645819  1
  Ni  Ni204  1  0.170547  0.688073  0.645819  1
  Ni  Ni205  1  0.561811  0.696704  0.635484  1
  Ni  Ni206  1  0.619633  0.039049  0.625004  1
  Ni  Ni207  1  0.952966  0.705716  0.625004  1
  Ni  Ni208  1  0.909190  0.182531  0.652491  1
  Ni  Ni209  1  0.242524  0.849197  0.652491  1
  Ni  Ni210  1  0.300604  0.190943  0.642309  1
  Ni  Ni211  1  0.692399  0.199693  0.631904  1
  Ni  Ni212  1  0.025732  0.866360  0.631904  1
  Ni  Ni213  1  0.359066  0.533027  0.631904  1
  Ni  Ni214  1  0.575857  0.515864  0.652491  1
  Ni  Ni215  1  0.633937  0.857609  0.642309  1
  Ni  Ni216  1  0.967271  0.524276  0.642309  1
  Ni  Ni217  1  0.720580  0.336018  0.666793  1
  Ni  Ni218  1  0.053913  0.002684  0.666793  1
  Ni  Ni219  1  0.111382  0.345819  0.656142  1
  Ni  Ni220  1  0.330791  0.326847  0.676839  1
  Ni  Ni221  1  0.664125  0.993513  0.676839  1
  Ni  Ni222  1  0.997458  0.660180  0.676839  1
  Ni  Ni223  1  0.387246  0.669351  0.666793  1
  Ni  Ni224  1  0.444715  0.012486  0.656142  1
  Ni  Ni225  1  0.778049  0.679152  0.656142  1
  Ni  Ni226  1  0.735981  0.155761  0.684163  1
  Ni  Ni227  1  0.069314  0.822427  0.684163  1
  Ni  Ni228  1  0.126044  0.163940  0.673416  1
  Ni  Ni229  1  0.517548  0.172743  0.662799  1
  Ni  Ni230  1  0.850881  0.839410  0.662799  1
  Ni  Ni231  1  0.184215  0.506077  0.662799  1
  Ni  Ni232  1  0.402647  0.489094  0.684163  1
  Ni  Ni233  1  0.459377  0.830607  0.673416  1
  Ni  Ni234  1  0.792711  0.497273  0.673416  1
  Ni  Ni235  1  0.545370  0.309020  0.698297  1
  Ni  Ni236  1  0.878704  0.975687  0.698297  1
  Ni  Ni237  1  0.934869  0.319252  0.688313  1
  Ni  Ni238  1  0.156233  0.298736  0.707678  1
  Ni  Ni239  1  0.489567  0.965403  0.707678  1
  Ni  Ni240  1  0.822900  0.632069  0.707678  1
  Ni  Ni241  1  0.212037  0.642353  0.698297  1
  Ni  Ni242  1  0.268202  0.985919  0.688313  1
  Ni  Ni243  1  0.601536  0.652585  0.688313  1
  Ni  Ni244  1  0.563300  0.125065  0.714092  1
  Ni  Ni245  1  0.896634  0.791732  0.714092  1
  Ni  Ni246  1  0.954534  0.135527  0.704224  1
  Ni  Ni247  1  0.343413  0.145761  0.694671  1
  Ni  Ni248  1  0.676746  0.812428  0.694671  1
  Ni  Ni249  1  0.010079  0.479095  0.694671  1
  Ni  Ni250  1  0.229967  0.458398  0.714092  1
  Ni  Ni251  1  0.287867  0.802193  0.704224  1
  Ni  Ni252  1  0.621200  0.468860  0.704224  1
