# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.85742639
_cell_length_b   12.70133558
_cell_length_c   47.92321610
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.26774466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5342.39583619
_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  0.033756  0.768301  0.280251  1
  Ni  Ni2  1  0.367089  0.434967  0.280251  1
  Ni  Ni3  1  0.302017  0.763627  0.290876  1
  Ni  Ni4  1  0.700422  0.101634  0.280251  1
  Ni  Ni5  1  0.635351  0.430294  0.290876  1
  Ni  Ni6  1  0.572321  0.754920  0.301265  1
  Ni  Ni7  1  0.968684  0.096961  0.290876  1
  Ni  Ni8  1  0.905654  0.421587  0.301265  1
  Ni  Ni9  1  0.238988  0.088253  0.301265  1
  Ni  Ni10  1  0.028360  0.588090  0.298926  1
  Ni  Ni11  1  0.361693  0.254757  0.298926  1
  Ni  Ni12  1  0.298711  0.586099  0.310367  1
  Ni  Ni13  1  0.695026  0.921424  0.298926  1
  Ni  Ni14  1  0.632044  0.252766  0.310367  1
  Ni  Ni15  1  0.753684  0.596995  0.288947  1
  Ni  Ni16  1  0.965378  0.919432  0.310367  1
  Ni  Ni17  1  0.087017  0.263661  0.288947  1
  Ni  Ni18  1  0.420351  0.930328  0.288947  1
  Ni  Ni19  1  0.841626  0.748054  0.314034  1
  Ni  Ni20  1  0.174960  0.414721  0.314034  1
  Ni  Ni21  1  0.112841  0.741518  0.327357  1
  Ni  Ni22  1  0.508293  0.081387  0.314034  1
  Ni  Ni23  1  0.446174  0.408185  0.327357  1
  Ni  Ni24  1  0.383547  0.736684  0.338869  1
  Ni  Ni25  1  0.779508  0.074852  0.327357  1
  Ni  Ni26  1  0.716881  0.403351  0.338869  1
  Ni  Ni27  1  0.050214  0.070018  0.338869  1
  Ni  Ni28  1  0.839022  0.569467  0.336466  1
  Ni  Ni29  1  0.172355  0.236133  0.336466  1
  Ni  Ni30  1  0.109270  0.563543  0.348237  1
  Ni  Ni31  1  0.505689  0.902800  0.336466  1
  Ni  Ni32  1  0.442603  0.230210  0.348237  1
  Ni  Ni33  1  0.564640  0.577042  0.323565  1
  Ni  Ni34  1  0.775937  0.896876  0.348237  1
  Ni  Ni35  1  0.897974  0.243709  0.323565  1
  Ni  Ni36  1  0.231307  0.910376  0.323565  1
  Ni  Ni37  1  0.652942  0.728744  0.350713  1
  Ni  Ni38  1  0.986275  0.395410  0.350713  1
  Ni  Ni39  1  0.922567  0.722225  0.363299  1
  Ni  Ni40  1  0.319609  0.062077  0.350713  1
  Ni  Ni41  1  0.255900  0.388891  0.363299  1
  Ni  Ni42  1  0.193582  0.716079  0.375943  1
  Ni  Ni43  1  0.589234  0.055558  0.363299  1
  Ni  Ni44  1  0.526916  0.382746  0.375943  1
  Ni  Ni45  1  0.860249  0.049412  0.375943  1
  Ni  Ni46  1  0.648612  0.550897  0.373104  1
  Ni  Ni47  1  0.981946  0.217564  0.373104  1
  Ni  Ni48  1  0.920286  0.543683  0.385638  1
  Ni  Ni49  1  0.315279  0.884231  0.373104  1
  Ni  Ni50  1  0.253619  0.210350  0.385638  1
  Ni  Ni51  1  0.377599  0.557770  0.360713  1
  Ni  Ni52  1  0.586953  0.877017  0.385638  1
  Ni  Ni53  1  0.710932  0.224437  0.360713  1
  Ni  Ni54  1  0.044266  0.891103  0.360713  1
  Ni  Ni55  1  0.464085  0.709537  0.388072  1
  Ni  Ni56  1  0.797418  0.376203  0.388072  1
  Ni  Ni57  1  0.734325  0.702620  0.400366  1
  Ni  Ni58  1  0.130752  0.042870  0.388072  1
  Ni  Ni59  1  0.067659  0.369287  0.400366  1
  Ni  Ni60  1  0.004643  0.696182  0.412818  1
  Ni  Ni61  1  0.400992  0.035953  0.400366  1
  Ni  Ni62  1  0.337976  0.362848  0.412818  1
  Ni  Ni63  1  0.671309  0.029515  0.412818  1
  Ni  Ni64  1  0.460633  0.531042  0.410384  1
  Ni  Ni65  1  0.793967  0.197708  0.410384  1
  Ni  Ni66  1  0.731215  0.524307  0.422748  1
  Ni  Ni67  1  0.127300  0.864375  0.410384  1
  Ni  Ni68  1  0.064548  0.190973  0.422748  1
  Ni  Ni69  1  0.190327  0.537308  0.398008  1
  Ni  Ni70  1  0.397881  0.857640  0.422748  1
  Ni  Ni71  1  0.523660  0.203974  0.398008  1
  Ni  Ni72  1  0.856993  0.870641  0.398008  1
  Ni  Ni73  1  0.275270  0.689703  0.425246  1
  Ni  Ni74  1  0.608603  0.356369  0.425246  1
  Ni  Ni75  1  0.545759  0.683146  0.437558  1
  Ni  Ni76  1  0.941936  0.023036  0.425246  1
  Ni  Ni77  1  0.879093  0.349813  0.437558  1
  Ni  Ni78  1  0.816180  0.676510  0.449920  1
  Ni  Ni79  1  0.212426  0.016479  0.437558  1
  Ni  Ni80  1  0.149513  0.343177  0.449920  1
  Ni  Ni81  1  0.482847  0.009843  0.449920  1
  Ni  Ni82  1  0.272335  0.511116  0.447582  1
  Ni  Ni83  1  0.605668  0.177782  0.447582  1
  Ni  Ni84  1  0.542813  0.504610  0.459954  1
  Ni  Ni85  1  0.939002  0.844449  0.447582  1
  Ni  Ni86  1  0.876146  0.171276  0.459954  1
  Ni  Ni87  1  1.001846  0.517625  0.435193  1
  Ni  Ni88  1  0.209480  0.837943  0.459954  1
  Ni  Ni89  1  0.335179  0.184292  0.435193  1
  Ni  Ni90  1  0.668513  0.850958  0.435193  1
  Ni  Ni91  1  0.086679  0.669970  0.462323  1
  Ni  Ni92  1  0.420012  0.336637  0.462323  1
  Ni  Ni93  1  0.357236  0.663422  0.474716  1
  Ni  Ni94  1  0.753345  0.003304  0.462323  1
  Ni  Ni95  1  0.690570  0.330089  0.474716  1
  Ni  Ni96  1  0.627725  0.656856  0.487079  1
  Ni  Ni97  1  0.023903  0.996756  0.474716  1
  Ni  Ni98  1  0.961058  0.323523  0.487079  1
  Ni  Ni99  1  0.294392  0.990189  0.487079  1
  Ni  Ni100  1  0.083856  0.491421  0.484731  1
  Ni  Ni101  1  0.417190  0.158088  0.484731  1
  Ni  Ni102  1  0.354381  0.484873  0.497121  1
  Ni  Ni103  1  0.750523  0.824754  0.484731  1
  Ni  Ni104  1  0.687715  0.151540  0.497121  1
  Ni  Ni105  1  0.813297  0.498008  0.472330  1
  Ni  Ni106  1  0.021048  0.818207  0.497121  1
  Ni  Ni107  1  0.146631  0.164675  0.472330  1
  Ni  Ni108  1  0.479964  0.831342  0.472330  1
  Ni  Ni109  1  0.898206  0.650287  0.499454  1
  Ni  Ni110  1  0.231540  0.316953  0.499454  1
  Ni  Ni111  1  0.168731  0.643739  0.511844  1
  Ni  Ni112  1  0.564873  0.983620  0.499454  1
  Ni  Ni113  1  0.502065  0.310406  0.511844  1
  Ni  Ni114  1  0.439291  0.637152  0.524245  1
  Ni  Ni115  1  0.835398  0.977072  0.511844  1
  Ni  Ni116  1  0.772624  0.303819  0.524245  1
  Ni  Ni117  1  0.105957  0.970485  0.524245  1
  Ni  Ni118  1  0.895351  0.471738  0.521859  1
  Ni  Ni119  1  0.228685  0.138405  0.521859  1
  Ni  Ni120  1  0.165909  0.465190  0.534252  1
  Ni  Ni121  1  0.562018  0.805071  0.521859  1
  Ni  Ni122  1  0.499243  0.131856  0.534252  1
  Ni  Ni123  1  0.624863  0.478304  0.509496  1
  Ni  Ni124  1  0.832576  0.798523  0.534252  1
  Ni  Ni125  1  0.958196  0.144971  0.509496  1
  Ni  Ni126  1  0.291530  0.811638  0.509496  1
  Ni  Ni127  1  0.709775  0.630550  0.536621  1
  Ni  Ni128  1  0.043108  0.297217  0.536621  1
  Ni  Ni129  1  0.980253  0.624044  0.548993  1
  Ni  Ni130  1  0.376442  0.963884  0.536621  1
  Ni  Ni131  1  0.313586  0.290711  0.548993  1
  Ni  Ni132  1  0.250742  0.617535  0.561381  1
  Ni  Ni133  1  0.646919  0.957378  0.548993  1
  Ni  Ni134  1  0.584075  0.284202  0.561381  1
  Ni  Ni135  1  0.917408  0.950868  0.561381  1
  Ni  Ni136  1  0.706828  0.452014  0.559017  1
  Ni  Ni137  1  0.040162  0.118681  0.559017  1
  Ni  Ni138  1  0.977318  0.445458  0.571329  1
  Ni  Ni139  1  0.373495  0.785347  0.559017  1
  Ni  Ni140  1  0.310651  0.112124  0.571329  1
  Ni  Ni141  1  0.436408  0.458650  0.546654  1
  Ni  Ni142  1  0.643985  0.778791  0.571329  1
  Ni  Ni143  1  0.769741  0.125317  0.546654  1
  Ni  Ni144  1  0.103074  0.791983  0.546654  1
  Ni  Ni145  1  0.521373  0.610853  0.573827  1
  Ni  Ni146  1  0.854706  0.277520  0.573827  1
  Ni  Ni147  1  0.791955  0.604118  0.586191  1
  Ni  Ni148  1  0.188040  0.944187  0.573827  1
  Ni  Ni149  1  0.125288  0.270785  0.586191  1
  Ni  Ni150  1  0.062261  0.597852  0.598567  1
  Ni  Ni151  1  0.458621  0.937452  0.586191  1
  Ni  Ni152  1  0.395594  0.264519  0.598567  1
  Ni  Ni153  1  0.728928  0.931186  0.598567  1
  Ni  Ni154  1  0.518263  0.432540  0.596208  1
  Ni  Ni155  1  0.851596  0.099207  0.596208  1
  Ni  Ni156  1  0.788503  0.425623  0.608503  1
  Ni  Ni157  1  0.184929  0.765873  0.596208  1
  Ni  Ni158  1  0.121836  0.092290  0.608503  1
  Ni  Ni159  1  0.247945  0.438978  0.583756  1
  Ni  Ni160  1  0.455170  0.758957  0.608503  1
  Ni  Ni161  1  0.581279  0.105645  0.583756  1
  Ni  Ni162  1  0.914612  0.772312  0.583756  1
  Ni  Ni163  1  0.332302  0.591477  0.610937  1
  Ni  Ni164  1  0.665635  0.258143  0.610937  1
  Ni  Ni165  1  0.603975  0.584263  0.623470  1
  Ni  Ni166  1  0.998968  0.924810  0.610937  1
  Ni  Ni167  1  0.937309  0.250930  0.623470  1
  Ni  Ni168  1  0.874989  0.577390  0.635862  1
  Ni  Ni169  1  0.270642  0.917596  0.623470  1
  Ni  Ni170  1  0.208322  0.244057  0.635862  1
  Ni  Ni171  1  0.541655  0.910723  0.635862  1
  Ni  Ni172  1  0.330021  0.412935  0.633276  1
  Ni  Ni173  1  0.663354  0.079602  0.633276  1
  Ni  Ni174  1  0.599646  0.406416  0.645862  1
  Ni  Ni175  1  0.996688  0.746269  0.633276  1
  Ni  Ni176  1  0.932979  0.073083  0.645862  1
  Ni  Ni177  1  0.059005  0.419081  0.620632  1
  Ni  Ni178  1  0.266313  0.739750  0.645862  1
  Ni  Ni179  1  0.392339  0.085748  0.620632  1
  Ni  Ni180  1  0.725672  0.752415  0.620632  1
  Ni  Ni181  1  0.143318  0.571617  0.648337  1
  Ni  Ni182  1  0.476651  0.238284  0.648337  1
  Ni  Ni183  1  0.413566  0.565694  0.660109  1
  Ni  Ni184  1  0.809984  0.904951  0.648337  1
  Ni  Ni185  1  0.746899  0.232360  0.660109  1
  Ni  Ni186  1  0.687947  0.558118  0.673009  1
  Ni  Ni187  1  0.080232  0.899027  0.660109  1
  Ni  Ni188  1  0.021281  0.224784  0.673009  1
  Ni  Ni189  1  0.354614  0.891451  0.673009  1
  Ni  Ni190  1  0.139747  0.393642  0.669217  1
  Ni  Ni191  1  0.473080  0.060308  0.669217  1
  Ni  Ni192  1  0.410961  0.387106  0.682541  1
  Ni  Ni193  1  0.806413  0.726975  0.669217  1
  Ni  Ni194  1  0.744295  0.053773  0.682541  1
  Ni  Ni195  1  0.869041  0.398476  0.657706  1
  Ni  Ni196  1  0.077628  0.720440  0.682541  1
  Ni  Ni197  1  0.202374  0.065143  0.657706  1
  Ni  Ni198  1  0.535707  0.731809  0.657706  1
  Ni  Ni199  1  0.953877  0.549061  0.686208  1
  Ni  Ni200  1  0.287210  0.215728  0.686208  1
  Ni  Ni201  1  0.224228  0.547070  0.697648  1
  Ni  Ni202  1  0.620544  0.882394  0.686208  1
  Ni  Ni203  1  0.557562  0.213736  0.697648  1
  Ni  Ni204  1  0.498904  0.538165  0.707627  1
  Ni  Ni205  1  0.890895  0.880403  0.697648  1
  Ni  Ni206  1  0.832237  0.204832  0.707627  1
  Ni  Ni207  1  0.165570  0.871499  0.707627  1
  Ni  Ni208  1  0.950571  0.371533  0.705699  1
  Ni  Ni209  1  0.283904  0.038199  0.705699  1
  Ni  Ni210  1  0.218832  0.366860  0.716324  1
  Ni  Ni211  1  0.617237  0.704866  0.705699  1
  Ni  Ni212  1  0.552165  0.033526  0.716324  1
  Ni  Ni213  1  0.680267  0.380240  0.695309  1
  Ni  Ni214  1  0.885499  0.700193  0.716324  1
  Ni  Ni215  1  0.013600  0.046907  0.695309  1
  Ni  Ni216  1  0.346934  0.713574  0.695309  1
