# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.08649581
_cell_length_b   11.08632805
_cell_length_c   47.90249762
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5858.11344689
_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  0.972012  0.302192  0.268292  1
  Ni  Ni2  1  0.303106  0.973898  0.268242  1
  Ni  Ni3  1  0.271497  0.271213  0.288575  1
  Ni  Ni4  1  0.638216  0.638102  0.267845  1
  Ni  Ni5  1  0.608626  0.940230  0.288882  1
  Ni  Ni6  1  0.576230  0.244554  0.311813  1
  Ni  Ni7  1  0.941638  0.606560  0.288975  1
  Ni  Ni8  1  0.908877  0.910904  0.311797  1
  Ni  Ni9  1  0.242549  0.576795  0.310757  1
  Ni  Ni10  1  0.107789  0.441463  0.288922  1
  Ni  Ni11  1  0.440636  0.108573  0.289164  1
  Ni  Ni12  1  0.408380  0.408426  0.310353  1
  Ni  Ni13  1  0.773324  0.775347  0.288868  1
  Ni  Ni14  1  0.744593  0.075885  0.311725  1
  Ni  Ni15  1  0.805328  0.470235  0.267844  1
  Ni  Ni16  1  0.077695  0.743725  0.311778  1
  Ni  Ni17  1  0.046003  0.046722  0.333658  1
  Ni  Ni18  1  0.470354  0.806171  0.267900  1
  Ni  Ni19  1  0.911036  0.410692  0.312008  1
  Ni  Ni20  1  0.242772  0.077902  0.311775  1
  Ni  Ni21  1  0.212755  0.379464  0.333432  1
  Ni  Ni22  1  0.576448  0.743333  0.311787  1
  Ni  Ni23  1  0.638507  0.138728  0.268530  1
  Ni  Ni24  1  0.605404  0.437793  0.288409  1
  Ni  Ni25  1  0.972125  0.804378  0.268650  1
  Ni  Ni26  1  0.938207  0.104158  0.288477  1
  Ni  Ni27  1  0.270651  0.773026  0.288478  1
  Ni  Ni28  1  0.076841  0.241647  0.311364  1
  Ni  Ni29  1  0.410597  0.910714  0.311773  1
  Ni  Ni30  1  0.379603  0.213521  0.333614  1
  Ni  Ni31  1  0.743775  0.577068  0.311617  1
  Ni  Ni32  1  0.712747  0.879624  0.333636  1
  Ni  Ni33  1  0.773854  0.273877  0.289410  1
  Ni  Ni34  1  0.046745  0.546808  0.333630  1
  Ni  Ni35  1  0.106709  0.943346  0.289211  1
  Ni  Ni36  1  0.438792  0.606105  0.288618  1
  Ni  Ni37  1  0.880012  0.213321  0.333544  1
  Ni  Ni38  1  0.213650  0.880221  0.333499  1
  Ni  Ni39  1  0.182694  0.183130  0.355995  1
  Ni  Ni40  1  0.546135  0.546092  0.333102  1
  Ni  Ni41  1  0.515910  0.849602  0.355898  1
  Ni  Ni42  1  0.485578  0.152768  0.377993  1
  Ni  Ni43  1  0.849682  0.516461  0.355942  1
  Ni  Ni44  1  0.818906  0.818852  0.377996  1
  Ni  Ni45  1  0.152435  0.485594  0.377972  1
  Ni  Ni46  1  0.016529  0.349268  0.355814  1
  Ni  Ni47  1  0.349438  0.016615  0.355875  1
  Ni  Ni48  1  0.318736  0.319288  0.377996  1
  Ni  Ni49  1  0.682612  0.682535  0.355828  1
  Ni  Ni50  1  0.652077  0.985893  0.378035  1
  Ni  Ni51  1  0.713358  0.380693  0.333486  1
  Ni  Ni52  1  0.985843  0.652500  0.378010  1
  Ni  Ni53  1  0.955130  0.955069  0.400327  1
  Ni  Ni54  1  0.379516  0.713552  0.333212  1
  Ni  Ni55  1  0.818969  0.319177  0.377994  1
  Ni  Ni56  1  0.152266  0.985720  0.378021  1
  Ni  Ni57  1  0.121675  0.288618  0.400355  1
  Ni  Ni58  1  0.485163  0.651985  0.377748  1
  Ni  Ni59  1  0.546603  0.046676  0.333554  1
  Ni  Ni60  1  0.515422  0.350396  0.355692  1
  Ni  Ni61  1  0.879765  0.713123  0.333480  1
  Ni  Ni62  1  0.849378  0.016424  0.356121  1
  Ni  Ni63  1  0.183491  0.682632  0.355799  1
  Ni  Ni64  1  0.985520  0.152496  0.378100  1
  Ni  Ni65  1  0.318953  0.819037  0.377948  1
  Ni  Ni66  1  0.288412  0.121976  0.400332  1
  Ni  Ni67  1  0.651985  0.485743  0.377906  1
  Ni  Ni68  1  0.621543  0.788368  0.400232  1
  Ni  Ni69  1  0.682735  0.183335  0.355785  1
  Ni  Ni70  1  0.955202  0.455190  0.400292  1
  Ni  Ni71  1  0.016286  0.849522  0.355810  1
  Ni  Ni72  1  0.349186  0.515908  0.355318  1
  Ni  Ni73  1  0.788158  0.122126  0.400338  1
  Ni  Ni74  1  0.121887  0.788429  0.400261  1
  Ni  Ni75  1  0.091156  0.091290  0.422531  1
  Ni  Ni76  1  0.454687  0.455286  0.400163  1
  Ni  Ni77  1  0.424428  0.757803  0.422407  1
  Ni  Ni78  1  0.393900  0.060770  0.444780  1
  Ni  Ni79  1  0.757717  0.424695  0.422466  1
  Ni  Ni80  1  0.727150  0.727371  0.444730  1
  Ni  Ni81  1  0.060534  0.394131  0.444798  1
  Ni  Ni82  1  0.924394  0.258066  0.422539  1
  Ni  Ni83  1  0.257842  0.924592  0.422493  1
  Ni  Ni84  1  0.227229  0.227431  0.444799  1
  Ni  Ni85  1  0.590924  0.591243  0.422401  1
  Ni  Ni86  1  0.560527  0.894029  0.444730  1
  Ni  Ni87  1  0.621497  0.288796  0.400224  1
  Ni  Ni88  1  0.893895  0.560745  0.444761  1
  Ni  Ni89  1  0.863285  0.863481  0.466977  1
  Ni  Ni90  1  0.288478  0.621558  0.400170  1
  Ni  Ni91  1  0.727089  0.227553  0.444758  1
  Ni  Ni92  1  0.060628  0.893993  0.444755  1
  Ni  Ni93  1  0.029953  0.196849  0.466999  1
  Ni  Ni94  1  0.393845  0.560701  0.444725  1
  Ni  Ni95  1  0.454974  0.955337  0.400294  1
  Ni  Ni96  1  0.424390  0.258100  0.422510  1
  Ni  Ni97  1  0.788374  0.621812  0.400288  1
  Ni  Ni98  1  0.757722  0.924601  0.422475  1
  Ni  Ni99  1  0.091230  0.591251  0.422498  1
  Ni  Ni100  1  0.893846  0.060747  0.444756  1
  Ni  Ni101  1  0.227313  0.727298  0.444723  1
  Ni  Ni102  1  0.196683  0.030124  0.466991  1
  Ni  Ni103  1  0.560437  0.394170  0.444721  1
  Ni  Ni104  1  0.529943  0.696793  0.466950  1
  Ni  Ni105  1  0.591005  0.091452  0.422512  1
  Ni  Ni106  1  0.863234  0.363582  0.466995  1
  Ni  Ni107  1  0.924505  0.757894  0.422502  1
  Ni  Ni108  1  0.257740  0.424629  0.422532  1
  Ni  Ni109  1  0.696617  0.030172  0.466980  1
  Ni  Ni110  1  0.030003  0.696829  0.466996  1
  Ni  Ni111  1  0.999395  0.999567  0.489220  1
  Ni  Ni112  1  0.363308  0.363539  0.467019  1
  Ni  Ni113  1  0.332758  0.666257  0.489236  1
  Ni  Ni114  1  0.302209  0.968995  0.511463  1
  Ni  Ni115  1  0.666027  0.332998  0.489238  1
  Ni  Ni116  1  0.635483  0.635731  0.511477  1
  Ni  Ni117  1  0.968792  0.302398  0.511466  1
  Ni  Ni118  1  0.832696  0.166285  0.489227  1
  Ni  Ni119  1  0.166110  0.832895  0.489226  1
  Ni  Ni120  1  0.135497  0.135673  0.511455  1
  Ni  Ni121  1  0.499387  0.499630  0.489239  1
  Ni  Ni122  1  0.468869  0.802345  0.511472  1
  Ni  Ni123  1  0.529958  0.196898  0.467008  1
  Ni  Ni124  1  0.802131  0.469094  0.511477  1
  Ni  Ni125  1  0.771608  0.771865  0.533767  1
  Ni  Ni126  1  0.196647  0.530200  0.467016  1
  Ni  Ni127  1  0.635555  0.135679  0.511493  1
  Ni  Ni128  1  0.968805  0.802405  0.511493  1
  Ni  Ni129  1  0.938256  0.105088  0.533699  1
  Ni  Ni130  1  0.302162  0.469080  0.511505  1
  Ni  Ni131  1  0.363362  0.863420  0.466964  1
  Ni  Ni132  1  0.332781  0.166262  0.489257  1
  Ni  Ni133  1  0.696562  0.530210  0.466960  1
  Ni  Ni134  1  0.666072  0.832922  0.489236  1
  Ni  Ni135  1  0.999370  0.499682  0.489260  1
  Ni  Ni136  1  0.802180  0.969013  0.511485  1
  Ni  Ni137  1  0.135473  0.635776  0.511501  1
  Ni  Ni138  1  0.104896  0.938467  0.533705  1
  Ni  Ni139  1  0.468877  0.302368  0.511501  1
  Ni  Ni140  1  0.438254  0.605157  0.533739  1
  Ni  Ni141  1  0.499460  0.999571  0.489244  1
  Ni  Ni142  1  0.771622  0.271781  0.533721  1
  Ni  Ni143  1  0.832705  0.666313  0.489245  1
  Ni  Ni144  1  0.166064  0.332977  0.489260  1
  Ni  Ni145  1  0.605016  0.938460  0.533754  1
  Ni  Ni146  1  0.938243  0.605237  0.533756  1
  Ni  Ni147  1  0.907696  0.907950  0.556031  1
  Ni  Ni148  1  0.271618  0.271788  0.533716  1
  Ni  Ni149  1  0.240945  0.574690  0.555989  1
  Ni  Ni150  1  0.210390  0.877424  0.578193  1
  Ni  Ni151  1  0.574483  0.241168  0.555994  1
  Ni  Ni152  1  0.543800  0.543927  0.578210  1
  Ni  Ni153  1  0.877240  0.210548  0.578196  1
  Ni  Ni154  1  0.741172  0.074500  0.556010  1
  Ni  Ni155  1  0.074300  0.741377  0.556010  1
  Ni  Ni156  1  0.043715  0.043968  0.578200  1
  Ni  Ni157  1  0.407726  0.407860  0.555974  1
  Ni  Ni158  1  0.377030  0.710769  0.578218  1
  Ni  Ni159  1  0.438344  0.105108  0.533736  1
  Ni  Ni160  1  0.710545  0.377272  0.578213  1
  Ni  Ni161  1  0.679927  0.680041  0.600430  1
  Ni  Ni162  1  0.104888  0.438549  0.533730  1
  Ni  Ni163  1  0.543956  0.044027  0.578249  1
  Ni  Ni164  1  0.877197  0.710805  0.578286  1
  Ni  Ni165  1  0.846709  0.013467  0.600628  1
  Ni  Ni166  1  0.210406  0.377313  0.578160  1
  Ni  Ni167  1  0.271585  0.771832  0.533722  1
  Ni  Ni168  1  0.240992  0.074561  0.555926  1
  Ni  Ni169  1  0.604950  0.438465  0.533731  1
  Ni  Ni170  1  0.574366  0.741273  0.555983  1
  Ni  Ni171  1  0.907709  0.407914  0.555953  1
  Ni  Ni172  1  0.710534  0.877436  0.578310  1
  Ni  Ni173  1  0.043784  0.544128  0.578247  1
  Ni  Ni174  1  0.013242  0.846937  0.600598  1
  Ni  Ni175  1  0.377145  0.210620  0.578202  1
  Ni  Ni176  1  0.346434  0.513414  0.600412  1
  Ni  Ni177  1  0.407730  0.907921  0.555950  1
  Ni  Ni178  1  0.680273  0.179943  0.600514  1
  Ni  Ni179  1  0.741047  0.574601  0.555966  1
  Ni  Ni180  1  0.074328  0.241191  0.555910  1
  Ni  Ni181  1  0.513157  0.846948  0.600449  1
  Ni  Ni182  1  0.846622  0.513491  0.600419  1
  Ni  Ni183  1  0.816151  0.816341  0.622821  1
  Ni  Ni184  1  0.179631  0.180066  0.600380  1
  Ni  Ni185  1  0.149350  0.482810  0.622652  1
  Ni  Ni186  1  0.118824  0.786257  0.645298  1
  Ni  Ni187  1  0.482946  0.149547  0.622706  1
  Ni  Ni188  1  0.451955  0.452170  0.644831  1
  Ni  Ni189  1  0.785736  0.119194  0.645295  1
  Ni  Ni190  1  0.649509  0.983182  0.622852  1
  Ni  Ni191  1  0.982899  0.649888  0.622810  1
  Ni  Ni192  1  0.952337  0.952209  0.645282  1
  Ni  Ni193  1  0.315779  0.316100  0.622615  1
  Ni  Ni194  1  0.284974  0.619392  0.644830  1
  Ni  Ni195  1  0.346543  0.013465  0.600380  1
  Ni  Ni196  1  0.619700  0.285067  0.644958  1
  Ni  Ni197  1  0.588068  0.588601  0.667059  1
  Ni  Ni198  1  0.013302  0.346592  0.600392  1
  Ni  Ni199  1  0.452012  0.952968  0.644918  1
  Ni  Ni200  1  0.785746  0.618944  0.644877  1
  Ni  Ni201  1  0.754885  0.921679  0.667307  1
  Ni  Ni202  1  0.118529  0.285617  0.644951  1
  Ni  Ni203  1  0.179719  0.680471  0.600521  1
  Ni  Ni204  1  0.149148  0.982742  0.622686  1
  Ni  Ni205  1  0.513368  0.346603  0.600471  1
  Ni  Ni206  1  0.482449  0.649440  0.622634  1
  Ni  Ni207  1  0.816221  0.316045  0.622664  1
  Ni  Ni208  1  0.618639  0.785612  0.644721  1
  Ni  Ni209  1  0.952279  0.452293  0.644712  1
  Ni  Ni210  1  0.921855  0.755693  0.667344  1
  Ni  Ni211  1  0.285209  0.118809  0.644655  1
  Ni  Ni212  1  0.254792  0.421609  0.667059  1
  Ni  Ni213  1  0.315850  0.816534  0.622711  1
  Ni  Ni214  1  0.589029  0.089165  0.667403  1
  Ni  Ni215  1  0.649385  0.482722  0.622703  1
  Ni  Ni216  1  0.982581  0.149357  0.622747  1
  Ni  Ni217  1  0.421748  0.755399  0.666998  1
  Ni  Ni218  1  0.755593  0.422080  0.667052  1
  Ni  Ni219  1  0.724039  0.724614  0.688797  1
  Ni  Ni220  1  0.088411  0.088209  0.667063  1
  Ni  Ni221  1  0.057617  0.393277  0.689152  1
  Ni  Ni222  1  0.028844  0.693538  0.711715  1
  Ni  Ni223  1  0.391243  0.059919  0.689191  1
  Ni  Ni224  1  0.361395  0.358955  0.711355  1
  Ni  Ni225  1  0.695960  0.029446  0.711879  1
  Ni  Ni226  1  0.557966  0.891883  0.688731  1
  Ni  Ni227  1  0.892820  0.558087  0.689049  1
  Ni  Ni228  1  0.862383  0.862218  0.711869  1
  Ni  Ni229  1  0.225223  0.223878  0.688844  1
  Ni  Ni230  1  0.195822  0.528939  0.711884  1
  Ni  Ni231  1  0.255294  0.922447  0.667167  1
  Ni  Ni232  1  0.528088  0.197163  0.711945  1
  Ni  Ni233  1  0.496243  0.497628  0.731940  1
  Ni  Ni234  1  0.921763  0.255694  0.667119  1
  Ni  Ni235  1  0.360263  0.860148  0.711632  1
  Ni  Ni236  1  0.694292  0.526587  0.711397  1
  Ni  Ni237  1  0.663090  0.830074  0.732678  1
  Ni  Ni238  1  0.026425  0.193670  0.711319  1
  Ni  Ni239  1  0.088936  0.588705  0.667111  1
  Ni  Ni240  1  0.059903  0.892531  0.690319  1
  Ni  Ni241  1  0.421821  0.255052  0.666933  1
  Ni  Ni242  1  0.389972  0.558357  0.688901  1
  Ni  Ni243  1  0.726085  0.227121  0.690333  1
  Ni  Ni244  1  0.526404  0.695320  0.711559  1
  Ni  Ni245  1  0.863495  0.364179  0.712041  1
  Ni  Ni246  1  0.830250  0.661836  0.732357  1
  Ni  Ni247  1  0.197037  0.030825  0.711954  1
  Ni  Ni248  1  0.164211  0.329695  0.731890  1
  Ni  Ni249  1  0.225731  0.725210  0.689783  1
  Ni  Ni250  1  0.495759  0.998556  0.732282  1
  Ni  Ni251  1  0.558764  0.390922  0.688775  1
  Ni  Ni252  1  0.891756  0.058498  0.689741  1
