# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.92726508
_cell_length_b   12.64872117
_cell_length_c   47.34601247
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   66.90653073
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5468.70268205
_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  0.704489  0.093714  0.300756  1
  Ni  Ni2  1  0.204489  0.093714  0.300756  1
  Ni  Ni3  1  0.637434  0.727836  0.315942  1
  Ni  Ni4  1  0.272394  0.457932  0.286623  1
  Ni  Ni5  1  0.137434  0.727836  0.315942  1
  Ni  Ni6  1  0.772394  0.457932  0.286623  1
  Ni  Ni7  1  0.488511  0.277524  0.293391  1
  Ni  Ni8  1  0.988511  0.277524  0.293391  1
  Ni  Ni9  1  0.420784  0.911439  0.308467  1
  Ni  Ni10  1  0.354468  0.546886  0.324544  1
  Ni  Ni11  1  0.920784  0.911439  0.308467  1
  Ni  Ni12  1  0.854468  0.546886  0.324544  1
  Ni  Ni13  1  0.236687  0.277509  0.293392  1
  Ni  Ni14  1  0.736687  0.277509  0.293392  1
  Ni  Ni15  1  0.170470  0.911438  0.308467  1
  Ni  Ni16  1  0.101367  0.546886  0.324542  1
  Ni  Ni17  1  0.670470  0.911438  0.308467  1
  Ni  Ni18  1  0.601367  0.546886  0.324542  1
  Ni  Ni19  1  0.453878  0.094942  0.300678  1
  Ni  Ni20  1  0.953878  0.094942  0.300678  1
  Ni  Ni21  1  0.387112  0.728481  0.316045  1
  Ni  Ni22  1  0.318832  0.365068  0.333362  1
  Ni  Ni23  1  0.887112  0.728481  0.316045  1
  Ni  Ni24  1  0.818832  0.365068  0.333362  1
  Ni  Ni25  1  1.000300  0.002143  0.348370  1
  Ni  Ni26  1  0.500300  0.002143  0.348370  1
  Ni  Ni27  1  0.931733  0.639298  0.364391  1
  Ni  Ni28  1  0.568277  0.366184  0.332685  1
  Ni  Ni29  1  0.431733  0.639298  0.364391  1
  Ni  Ni30  1  0.068277  0.366184  0.332685  1
  Ni  Ni31  1  0.784523  0.183643  0.340727  1
  Ni  Ni32  1  0.284523  0.183643  0.340727  1
  Ni  Ni33  1  0.716190  0.820130  0.356081  1
  Ni  Ni34  1  0.647654  0.457352  0.372449  1
  Ni  Ni35  1  0.216190  0.820130  0.356081  1
  Ni  Ni36  1  0.147654  0.457352  0.372449  1
  Ni  Ni37  1  0.534570  0.183646  0.340726  1
  Ni  Ni38  1  0.034570  0.183646  0.340726  1
  Ni  Ni39  1  0.466433  0.820130  0.356081  1
  Ni  Ni40  1  0.397766  0.457351  0.372450  1
  Ni  Ni41  1  0.966433  0.820130  0.356081  1
  Ni  Ni42  1  0.897766  0.457351  0.372450  1
  Ni  Ni43  1  0.750400  0.001942  0.348409  1
  Ni  Ni44  1  0.250400  0.001942  0.348409  1
  Ni  Ni45  1  0.682059  0.638643  0.364097  1
  Ni  Ni46  1  0.613792  0.275197  0.380231  1
  Ni  Ni47  1  0.182059  0.638643  0.364097  1
  Ni  Ni48  1  0.113792  0.275197  0.380231  1
  Ni  Ni49  1  0.296001  0.910794  0.395917  1
  Ni  Ni50  1  0.796001  0.910794  0.395917  1
  Ni  Ni51  1  0.227501  0.547809  0.411993  1
  Ni  Ni52  1  0.863993  0.274793  0.380446  1
  Ni  Ni53  1  0.727501  0.547809  0.411993  1
  Ni  Ni54  1  0.363993  0.274793  0.380446  1
  Ni  Ni55  1  0.080027  0.092829  0.388155  1
  Ni  Ni56  1  0.580027  0.092829  0.388155  1
  Ni  Ni57  1  0.011845  0.729381  0.403920  1
  Ni  Ni58  1  0.943548  0.365794  0.419987  1
  Ni  Ni59  1  0.511845  0.729381  0.403920  1
  Ni  Ni60  1  0.443548  0.365794  0.419987  1
  Ni  Ni61  1  0.829931  0.092828  0.388155  1
  Ni  Ni62  1  0.329931  0.092828  0.388155  1
  Ni  Ni63  1  0.761578  0.729380  0.403920  1
  Ni  Ni64  1  0.693478  0.365794  0.419987  1
  Ni  Ni65  1  0.261578  0.729380  0.403920  1
  Ni  Ni66  1  0.193478  0.365794  0.419987  1
  Ni  Ni67  1  0.045925  0.910947  0.395916  1
  Ni  Ni68  1  0.545925  0.910947  0.395916  1
  Ni  Ni69  1  0.977520  0.547773  0.412048  1
  Ni  Ni70  1  0.909569  0.183691  0.427900  1
  Ni  Ni71  1  0.477520  0.547773  0.412048  1
  Ni  Ni72  1  0.409569  0.183691  0.427900  1
  Ni  Ni73  1  0.591381  0.820082  0.443652  1
  Ni  Ni74  1  0.091381  0.820082  0.443652  1
  Ni  Ni75  1  0.523192  0.456477  0.459648  1
  Ni  Ni76  1  0.159506  0.183817  0.427840  1
  Ni  Ni77  1  0.023192  0.456477  0.459648  1
  Ni  Ni78  1  0.659506  0.183817  0.427840  1
  Ni  Ni79  1  0.375507  0.001775  0.435714  1
  Ni  Ni80  1  0.875507  0.001775  0.435714  1
  Ni  Ni81  1  0.307224  0.638363  0.451661  1
  Ni  Ni82  1  0.239152  0.274544  0.467572  1
  Ni  Ni83  1  0.807224  0.638363  0.451661  1
  Ni  Ni84  1  0.739152  0.274544  0.467572  1
  Ni  Ni85  1  0.125554  0.001776  0.435714  1
  Ni  Ni86  1  0.625554  0.001776  0.435714  1
  Ni  Ni87  1  0.057266  0.638363  0.451661  1
  Ni  Ni88  1  0.989174  0.274544  0.467572  1
  Ni  Ni89  1  0.557266  0.638363  0.451661  1
  Ni  Ni90  1  0.489174  0.274544  0.467572  1
  Ni  Ni91  1  0.341405  0.820034  0.443644  1
  Ni  Ni92  1  0.841405  0.820034  0.443644  1
  Ni  Ni93  1  0.273188  0.456485  0.459631  1
  Ni  Ni94  1  0.205110  0.092658  0.475463  1
  Ni  Ni95  1  0.773188  0.456485  0.459631  1
  Ni  Ni96  1  0.705110  0.092658  0.475463  1
  Ni  Ni97  1  0.886935  0.729023  0.491329  1
  Ni  Ni98  1  0.386935  0.729023  0.491329  1
  Ni  Ni99  1  0.818822  0.365266  0.507257  1
  Ni  Ni100  1  0.455124  0.092629  0.475476  1
  Ni  Ni101  1  0.318822  0.365266  0.507257  1
  Ni  Ni102  1  0.955124  0.092629  0.475476  1
  Ni  Ni103  1  0.671036  0.910834  0.483383  1
  Ni  Ni104  1  0.171036  0.910834  0.483383  1
  Ni  Ni105  1  0.602888  0.547147  0.499296  1
  Ni  Ni106  1  0.534740  0.183461  0.515210  1
  Ni  Ni107  1  0.102888  0.547147  0.499296  1
  Ni  Ni108  1  0.034740  0.183461  0.515210  1
  Ni  Ni109  1  0.421015  0.910834  0.483383  1
  Ni  Ni110  1  0.921015  0.910834  0.483383  1
  Ni  Ni111  1  0.352867  0.547147  0.499296  1
  Ni  Ni112  1  0.284718  0.183460  0.515210  1
  Ni  Ni113  1  0.852867  0.547147  0.499296  1
  Ni  Ni114  1  0.784718  0.183460  0.515210  1
  Ni  Ni115  1  0.636932  0.729028  0.491336  1
  Ni  Ni116  1  0.136932  0.729028  0.491336  1
  Ni  Ni117  1  0.568820  0.365271  0.507264  1
  Ni  Ni118  1  0.500630  1.001665  0.523117  1
  Ni  Ni119  1  0.068820  0.365271  0.507264  1
  Ni  Ni120  1  0.000630  1.001665  0.523117  1
  Ni  Ni121  1  0.182567  0.637809  0.538962  1
  Ni  Ni122  1  0.682567  0.637809  0.538962  1
  Ni  Ni123  1  0.114350  0.274260  0.554948  1
  Ni  Ni124  1  0.750645  1.001637  0.523129  1
  Ni  Ni125  1  0.614350  0.274260  0.554948  1
  Ni  Ni126  1  0.250645  1.001637  0.523129  1
  Ni  Ni127  1  0.966580  0.819751  0.531021  1
  Ni  Ni128  1  0.466580  0.819751  0.531021  1
  Ni  Ni129  1  0.898489  0.455932  0.546932  1
  Ni  Ni130  1  0.830200  0.092519  0.562879  1
  Ni  Ni131  1  0.398489  0.455932  0.546932  1
  Ni  Ni132  1  0.330200  0.092519  0.562879  1
  Ni  Ni133  1  0.716603  0.819751  0.531021  1
  Ni  Ni134  1  0.216603  0.819751  0.531021  1
  Ni  Ni135  1  0.648531  0.455932  0.546932  1
  Ni  Ni136  1  0.580247  0.092519  0.562879  1
  Ni  Ni137  1  0.148531  0.455932  0.546932  1
  Ni  Ni138  1  0.080247  0.092519  0.562879  1
  Ni  Ni139  1  0.932563  0.637817  0.538944  1
  Ni  Ni140  1  0.432563  0.637817  0.538944  1
  Ni  Ni141  1  0.864373  0.274213  0.554941  1
  Ni  Ni142  1  0.796249  0.910477  0.570753  1
  Ni  Ni143  1  0.364373  0.274213  0.554941  1
  Ni  Ni144  1  0.296249  0.910477  0.570753  1
  Ni  Ni145  1  0.478235  0.546522  0.586545  1
  Ni  Ni146  1  0.978235  0.546522  0.586545  1
  Ni  Ni147  1  0.409830  0.183348  0.602676  1
  Ni  Ni148  1  0.046186  0.910604  0.570692  1
  Ni  Ni149  1  0.909830  0.183348  0.602676  1
  Ni  Ni150  1  0.546186  0.910604  0.570692  1
  Ni  Ni151  1  0.262277  0.728500  0.578606  1
  Ni  Ni152  1  0.762277  0.728500  0.578606  1
  Ni  Ni153  1  0.194177  0.364914  0.594673  1
  Ni  Ni154  1  0.125823  1.001467  0.610438  1
  Ni  Ni155  1  0.694177  0.364914  0.594673  1
  Ni  Ni156  1  0.625823  1.001467  0.610438  1
  Ni  Ni157  1  0.012206  0.728500  0.578606  1
  Ni  Ni158  1  0.512206  0.728500  0.578606  1
  Ni  Ni159  1  0.943909  0.364914  0.594673  1
  Ni  Ni160  1  0.875727  1.001466  0.610438  1
  Ni  Ni161  1  0.443909  0.364914  0.594673  1
  Ni  Ni162  1  0.375727  1.001466  0.610438  1
  Ni  Ni163  1  0.228253  0.546485  0.586600  1
  Ni  Ni164  1  0.728253  0.546485  0.586600  1
  Ni  Ni165  1  0.159753  0.183501  0.602676  1
  Ni  Ni166  1  0.091762  0.819501  0.618147  1
  Ni  Ni167  1  0.659753  0.183501  0.602676  1
  Ni  Ni168  1  0.591762  0.819501  0.618147  1
  Ni  Ni169  1  0.773695  0.455651  0.634496  1
  Ni  Ni170  1  0.273695  0.455651  0.634496  1
  Ni  Ni171  1  0.705354  0.092353  0.650184  1
  Ni  Ni172  1  0.341963  0.819098  0.618361  1
  Ni  Ni173  1  0.205354  0.092353  0.650184  1
  Ni  Ni174  1  0.841963  0.819098  0.618361  1
  Ni  Ni175  1  0.557988  0.636943  0.626143  1
  Ni  Ni176  1  0.057988  0.636943  0.626143  1
  Ni  Ni177  1  0.489322  0.274164  0.642512  1
  Ni  Ni178  1  0.421185  0.910649  0.657867  1
  Ni  Ni179  1  0.989322  0.274164  0.642512  1
  Ni  Ni180  1  0.921185  0.910649  0.657867  1
  Ni  Ni181  1  0.308100  0.636942  0.626144  1
  Ni  Ni182  1  0.808100  0.636942  0.626144  1
  Ni  Ni183  1  0.239564  0.274165  0.642512  1
  Ni  Ni184  1  0.171231  0.910651  0.657866  1
  Ni  Ni185  1  0.739564  0.274165  0.642512  1
  Ni  Ni186  1  0.671231  0.910651  0.657866  1
  Ni  Ni187  1  0.524022  0.454996  0.634202  1
  Ni  Ni188  1  0.024022  0.454996  0.634202  1
  Ni  Ni189  1  0.455455  0.092151  0.650223  1
  Ni  Ni190  1  0.387478  0.728111  0.665907  1
  Ni  Ni191  1  0.955455  0.092151  0.650223  1
  Ni  Ni192  1  0.887478  0.728111  0.665907  1
  Ni  Ni193  1  0.068643  0.365814  0.682547  1
  Ni  Ni194  1  0.568643  0.365814  0.682547  1
  Ni  Ni195  1  0.001877  0.999352  0.697915  1
  Ni  Ni196  1  0.636922  0.729227  0.665231  1
  Ni  Ni197  1  0.501877  0.999352  0.697915  1
  Ni  Ni198  1  0.136922  0.729227  0.665231  1
  Ni  Ni199  1  0.854388  0.547409  0.674051  1
  Ni  Ni200  1  0.354388  0.547409  0.674051  1
  Ni  Ni201  1  0.785284  0.182857  0.690126  1
  Ni  Ni202  1  0.719067  0.816785  0.705201  1
  Ni  Ni203  1  0.285284  0.182857  0.690126  1
  Ni  Ni204  1  0.219067  0.816785  0.705201  1
  Ni  Ni205  1  0.601286  0.547408  0.674049  1
  Ni  Ni206  1  0.101286  0.547408  0.674049  1
  Ni  Ni207  1  0.534970  0.182856  0.690126  1
  Ni  Ni208  1  0.467244  0.816771  0.705202  1
  Ni  Ni209  1  0.034970  0.182856  0.690126  1
  Ni  Ni210  1  0.967244  0.816771  0.705202  1
  Ni  Ni211  1  0.818321  0.366458  0.682651  1
  Ni  Ni212  1  0.318321  0.366458  0.682651  1
  Ni  Ni213  1  0.751265  1.000580  0.697837  1
  Ni  Ni214  1  0.683361  0.636362  0.711970  1
  Ni  Ni215  1  0.251265  1.000580  0.697837  1
  Ni  Ni216  1  0.183361  0.636362  0.711970  1
