# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92672869
_cell_length_b   12.49378357
_cell_length_c   48.06528091
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.07137783
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5309.41005494
_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  0.024764  0.757124  0.278624  1
  Ni  Ni2  1  0.358097  0.423791  0.278624  1
  Ni  Ni3  1  0.295913  0.755180  0.290067  1
  Ni  Ni4  1  0.691431  0.090457  0.278624  1
  Ni  Ni5  1  0.629246  0.421846  0.290067  1
  Ni  Ni6  1  0.568582  0.745075  0.301930  1
  Ni  Ni7  1  0.962580  0.088513  0.290067  1
  Ni  Ni8  1  0.901915  0.411742  0.301930  1
  Ni  Ni9  1  0.235249  0.078408  0.301930  1
  Ni  Ni10  1  0.034535  0.577192  0.299509  1
  Ni  Ni11  1  0.367868  0.243859  0.299509  1
  Ni  Ni12  1  0.301267  0.575407  0.311584  1
  Ni  Ni13  1  0.701202  0.910525  0.299509  1
  Ni  Ni14  1  0.634600  0.242074  0.311584  1
  Ni  Ni15  1  0.760175  0.589429  0.287676  1
  Ni  Ni16  1  0.967934  0.908740  0.311584  1
  Ni  Ni17  1  0.093508  0.256096  0.287676  1
  Ni  Ni18  1  0.426842  0.922762  0.287676  1
  Ni  Ni19  1  0.841609  0.737274  0.315170  1
  Ni  Ni20  1  0.174942  0.403940  0.315170  1
  Ni  Ni21  1  0.111214  0.731190  0.327494  1
  Ni  Ni22  1  0.508275  0.070607  0.315170  1
  Ni  Ni23  1  0.444547  0.397857  0.327494  1
  Ni  Ni24  1  0.381547  0.726557  0.339356  1
  Ni  Ni25  1  0.777880  0.064524  0.327494  1
  Ni  Ni26  1  0.714880  0.393223  0.339356  1
  Ni  Ni27  1  0.048213  0.059890  0.339356  1
  Ni  Ni28  1  0.839505  0.558602  0.336560  1
  Ni  Ni29  1  0.172838  0.225268  0.336560  1
  Ni  Ni30  1  0.109867  0.552013  0.349140  1
  Ni  Ni31  1  0.506172  0.891935  0.336560  1
  Ni  Ni32  1  0.443200  0.218680  0.349140  1
  Ni  Ni33  1  0.567610  0.567253  0.323892  1
  Ni  Ni34  1  0.776533  0.885347  0.349140  1
  Ni  Ni35  1  0.900943  0.233919  0.323892  1
  Ni  Ni36  1  0.234277  0.900586  0.323892  1
  Ni  Ni37  1  0.653020  0.717234  0.351281  1
  Ni  Ni38  1  0.986354  0.383901  0.351281  1
  Ni  Ni39  1  0.923731  0.710292  0.364094  1
  Ni  Ni40  1  0.319687  0.050567  0.351281  1
  Ni  Ni41  1  0.257064  0.376958  0.364094  1
  Ni  Ni42  1  0.194329  0.703968  0.376368  1
  Ni  Ni43  1  0.590398  0.043625  0.364094  1
  Ni  Ni44  1  0.527663  0.370635  0.376368  1
  Ni  Ni45  1  0.860996  0.037302  0.376368  1
  Ni  Ni46  1  0.649586  0.538955  0.373823  1
  Ni  Ni47  1  0.982920  0.205622  0.373823  1
  Ni  Ni48  1  0.920462  0.531124  0.386210  1
  Ni  Ni49  1  0.316253  0.872289  0.373823  1
  Ni  Ni50  1  0.253796  0.197791  0.386210  1
  Ni  Ni51  1  0.379437  0.546060  0.361427  1
  Ni  Ni52  1  0.587129  0.864458  0.386210  1
  Ni  Ni53  1  0.712770  0.212727  0.361427  1
  Ni  Ni54  1  0.046104  0.879393  0.361427  1
  Ni  Ni55  1  0.464830  0.697082  0.388527  1
  Ni  Ni56  1  0.798163  0.363749  0.388527  1
  Ni  Ni57  1  0.735293  0.689821  0.400867  1
  Ni  Ni58  1  0.131497  0.030415  0.388527  1
  Ni  Ni59  1  0.068626  0.356487  0.400867  1
  Ni  Ni60  1  0.005906  0.682802  0.413303  1
  Ni  Ni61  1  0.401959  0.023154  0.400867  1
  Ni  Ni62  1  0.339239  0.349469  0.413303  1
  Ni  Ni63  1  0.672572  0.016136  0.413303  1
  Ni  Ni64  1  0.461313  0.517680  0.410984  1
  Ni  Ni65  1  0.794646  0.184347  0.410984  1
  Ni  Ni66  1  0.731879  0.510582  0.423322  1
  Ni  Ni67  1  0.127979  0.851014  0.410984  1
  Ni  Ni68  1  0.065213  0.177249  0.423322  1
  Ni  Ni69  1  0.190963  0.524495  0.398659  1
  Ni  Ni70  1  0.398546  0.843916  0.423322  1
  Ni  Ni71  1  0.524296  0.191161  0.398659  1
  Ni  Ni72  1  0.857630  0.857828  0.398659  1
  Ni  Ni73  1  0.276510  0.676010  0.425617  1
  Ni  Ni74  1  0.609843  0.342677  0.425617  1
  Ni  Ni75  1  0.547011  0.669001  0.437916  1
  Ni  Ni76  1  0.943177  0.009344  0.425617  1
  Ni  Ni77  1  0.880344  0.335668  0.437916  1
  Ni  Ni78  1  0.817528  0.661970  0.450272  1
  Ni  Ni79  1  0.213678  0.002334  0.437916  1
  Ni  Ni80  1  0.150862  0.328637  0.450272  1
  Ni  Ni81  1  0.484195  0.995304  0.450272  1
  Ni  Ni82  1  0.273017  0.496586  0.448074  1
  Ni  Ni83  1  0.606351  0.163252  0.448074  1
  Ni  Ni84  1  0.543560  0.489632  0.460411  1
  Ni  Ni85  1  0.939684  0.829919  0.448074  1
  Ni  Ni86  1  0.876893  0.156298  0.460411  1
  Ni  Ni87  1  1.002448  0.503497  0.435699  1
  Ni  Ni88  1  0.210226  0.822965  0.460411  1
  Ni  Ni89  1  0.335782  0.170164  0.435699  1
  Ni  Ni90  1  0.669115  0.836831  0.435699  1
  Ni  Ni91  1  0.088132  0.655001  0.462636  1
  Ni  Ni92  1  0.421465  0.321667  0.462636  1
  Ni  Ni93  1  0.358705  0.648050  0.474977  1
  Ni  Ni94  1  0.754798  0.988334  0.462636  1
  Ni  Ni95  1  0.692039  0.314717  0.474977  1
  Ni  Ni96  1  0.629239  0.641057  0.487314  1
  Ni  Ni97  1  0.025372  0.981384  0.474977  1
  Ni  Ni98  1  0.962572  0.307723  0.487314  1
  Ni  Ni99  1  0.295906  0.974390  0.487314  1
  Ni  Ni100  1  0.084671  0.475628  0.485112  1
  Ni  Ni101  1  0.418004  0.142294  0.485112  1
  Ni  Ni102  1  0.355257  0.468664  0.497468  1
  Ni  Ni103  1  0.751338  0.808961  0.485112  1
  Ni  Ni104  1  0.688591  0.135330  0.497468  1
  Ni  Ni105  1  0.814105  0.482614  0.472755  1
  Ni  Ni106  1  0.021924  0.801997  0.497468  1
  Ni  Ni107  1  0.147438  0.149281  0.472755  1
  Ni  Ni108  1  0.480772  0.815947  0.472755  1
  Ni  Ni109  1  0.899792  0.634070  0.499660  1
  Ni  Ni110  1  0.233126  0.300737  0.499660  1
  Ni  Ni111  1  0.170379  0.627106  0.512017  1
  Ni  Ni112  1  0.566459  0.967403  0.499660  1
  Ni  Ni113  1  0.503712  0.293773  0.512017  1
  Ni  Ni114  1  0.440945  0.620120  0.524374  1
  Ni  Ni115  1  0.837045  0.960440  0.512017  1
  Ni  Ni116  1  0.774278  0.286786  0.524374  1
  Ni  Ni117  1  0.107611  0.953453  0.524374  1
  Ni  Ni118  1  0.896344  0.454684  0.522152  1
  Ni  Ni119  1  0.229678  0.121350  0.522152  1
  Ni  Ni120  1  0.166918  0.447733  0.534492  1
  Ni  Ni121  1  0.563011  0.788017  0.522152  1
  Ni  Ni122  1  0.500251  0.114400  0.534492  1
  Ni  Ni123  1  0.625811  0.461677  0.509815  1
  Ni  Ni124  1  0.833585  0.781067  0.534492  1
  Ni  Ni125  1  0.959144  0.128344  0.509815  1
  Ni  Ni126  1  0.292477  0.795011  0.509815  1
  Ni  Ni127  1  0.711490  0.613102  0.536717  1
  Ni  Ni128  1  0.044823  0.279769  0.536717  1
  Ni  Ni129  1  0.982032  0.606148  0.549055  1
  Ni  Ni130  1  0.378157  0.946435  0.536717  1
  Ni  Ni131  1  0.315366  0.272815  0.549055  1
  Ni  Ni132  1  0.252601  0.599237  0.561429  1
  Ni  Ni133  1  0.648699  0.939482  0.549055  1
  Ni  Ni134  1  0.585935  0.265903  0.561429  1
  Ni  Ni135  1  0.919268  0.932570  0.561429  1
  Ni  Ni136  1  0.708039  0.433733  0.559212  1
  Ni  Ni137  1  0.041372  0.100399  0.559212  1
  Ni  Ni138  1  0.978540  0.426723  0.571511  1
  Ni  Ni139  1  0.374705  0.767066  0.559212  1
  Ni  Ni140  1  0.311873  0.093390  0.571511  1
  Ni  Ni141  1  0.437521  0.440764  0.546857  1
  Ni  Ni142  1  0.645206  0.760057  0.571511  1
  Ni  Ni143  1  0.770855  0.107430  0.546857  1
  Ni  Ni144  1  0.104188  0.774097  0.546857  1
  Ni  Ni145  1  0.523170  0.592152  0.573806  1
  Ni  Ni146  1  0.856504  0.258818  0.573806  1
  Ni  Ni147  1  0.793737  0.585054  0.586145  1
  Ni  Ni148  1  0.189837  0.925485  0.573806  1
  Ni  Ni149  1  0.127070  0.251720  0.586145  1
  Ni  Ni150  1  0.064087  0.578239  0.598470  1
  Ni  Ni151  1  0.460404  0.918387  0.586145  1
  Ni  Ni152  1  0.397420  0.244906  0.598470  1
  Ni  Ni153  1  0.730753  0.911573  0.598470  1
  Ni  Ni154  1  0.519757  0.412913  0.596261  1
  Ni  Ni155  1  0.853090  0.079580  0.596261  1
  Ni  Ni156  1  0.790220  0.405652  0.608601  1
  Ni  Ni157  1  0.186423  0.746247  0.596261  1
  Ni  Ni158  1  0.123553  0.072319  0.608601  1
  Ni  Ni159  1  0.249144  0.419932  0.583825  1
  Ni  Ni160  1  0.456886  0.738985  0.608601  1
  Ni  Ni161  1  0.582477  0.086598  0.583825  1
  Ni  Ni162  1  0.915811  0.753265  0.583825  1
  Ni  Ni163  1  0.334587  0.571609  0.610919  1
  Ni  Ni164  1  0.667921  0.238276  0.610919  1
  Ni  Ni165  1  0.605463  0.563779  0.623306  1
  Ni  Ni166  1  1.001254  0.904943  0.610919  1
  Ni  Ni167  1  0.938797  0.230445  0.623306  1
  Ni  Ni168  1  0.875613  0.556674  0.635701  1
  Ni  Ni169  1  0.272130  0.897112  0.623306  1
  Ni  Ni170  1  0.208946  0.223341  0.635701  1
  Ni  Ni171  1  0.542279  0.890007  0.635701  1
  Ni  Ni172  1  0.331319  0.392442  0.633035  1
  Ni  Ni173  1  0.664652  0.059109  0.633035  1
  Ni  Ni174  1  0.602029  0.385500  0.645847  1
  Ni  Ni175  1  0.997985  0.725775  0.633035  1
  Ni  Ni176  1  0.935363  0.052167  0.645847  1
  Ni  Ni177  1  0.060720  0.398766  0.620761  1
  Ni  Ni178  1  0.268696  0.718833  0.645847  1
  Ni  Ni179  1  0.394054  0.065432  0.620761  1
  Ni  Ni180  1  0.727387  0.732099  0.620761  1
  Ni  Ni181  1  0.145183  0.550721  0.647989  1
  Ni  Ni182  1  0.478516  0.217387  0.647989  1
  Ni  Ni183  1  0.415544  0.544132  0.660569  1
  Ni  Ni184  1  0.811850  0.884054  0.647989  1
  Ni  Ni185  1  0.748878  0.210799  0.660569  1
  Ni  Ni186  1  0.687439  0.535481  0.673237  1
  Ni  Ni187  1  0.082211  0.877466  0.660569  1
  Ni  Ni188  1  0.020773  0.202148  0.673237  1
  Ni  Ni189  1  0.354106  0.868815  0.673237  1
  Ni  Ni190  1  0.143836  0.371544  0.669634  1
  Ni  Ni191  1  0.477169  0.038210  0.669634  1
  Ni  Ni192  1  0.413441  0.365460  0.681959  1
  Ni  Ni193  1  0.810503  0.704877  0.669634  1
  Ni  Ni194  1  0.746774  0.032127  0.681959  1
  Ni  Ni195  1  0.873503  0.376177  0.657773  1
  Ni  Ni196  1  0.080108  0.698794  0.681959  1
  Ni  Ni197  1  0.206836  0.042844  0.657773  1
  Ni  Ni198  1  0.540170  0.709511  0.657773  1
  Ni  Ni199  1  0.953783  0.527327  0.685544  1
  Ni  Ni200  1  0.287116  0.193994  0.685544  1
  Ni  Ni201  1  0.220515  0.525542  0.697619  1
  Ni  Ni202  1  0.620449  0.860660  0.685544  1
  Ni  Ni203  1  0.553848  0.192209  0.697619  1
  Ni  Ni204  1  0.494875  0.513305  0.709453  1
  Ni  Ni205  1  0.887181  0.858875  0.697619  1
  Ni  Ni206  1  0.828208  0.179972  0.709453  1
  Ni  Ni207  1  0.161541  0.846638  0.709453  1
  Ni  Ni208  1  0.959137  0.347554  0.707062  1
  Ni  Ni209  1  0.292470  0.014221  0.707062  1
  Ni  Ni210  1  0.230286  0.345610  0.718504  1
  Ni  Ni211  1  0.625803  0.680888  0.707062  1
  Ni  Ni212  1  0.563619  0.012277  0.718504  1
  Ni  Ni213  1  0.686468  0.357659  0.695199  1
  Ni  Ni214  1  0.896952  0.678943  0.718504  1
  Ni  Ni215  1  0.019801  0.024325  0.695199  1
  Ni  Ni216  1  0.353134  0.690992  0.695199  1
