# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.07236480
_cell_length_b   12.99489236
_cell_length_c   47.56476344
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.12669422
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8059.06682086
_cell_formula_units_Z   324
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  0.271641  0.764731  0.330052  1
  Ni  Ni2  1  0.252372  0.478457  0.298312  1
  Ni  Ni3  1  0.429732  0.452870  0.313278  1
  Ni  Ni4  1  0.604974  0.431398  0.330052  1
  Ni  Ni5  1  0.263065  0.119537  0.313278  1
  Ni  Ni6  1  0.438308  0.098065  0.330052  1
  Ni  Ni7  1  0.419039  0.811790  0.298312  1
  Ni  Ni8  1  0.596399  0.786204  0.313278  1
  Ni  Ni9  1  0.771641  0.764731  0.330052  1
  Ni  Ni10  1  0.752372  0.478457  0.298312  1
  Ni  Ni11  1  0.929732  0.452870  0.313278  1
  Ni  Ni12  1  0.104974  0.431398  0.330052  1
  Ni  Ni13  1  0.585705  0.145123  0.298312  1
  Ni  Ni14  1  0.763065  0.119537  0.313278  1
  Ni  Ni15  1  0.938308  0.098065  0.330052  1
  Ni  Ni16  1  0.919039  0.811790  0.298312  1
  Ni  Ni17  1  0.096399  0.786204  0.313278  1
  Ni  Ni18  1  0.085705  0.145123  0.298312  1
  Ni  Ni19  1  0.297656  0.662539  0.288293  1
  Ni  Ni20  1  0.308630  0.301050  0.303225  1
  Ni  Ni21  1  0.485410  0.278449  0.319295  1
  Ni  Ni22  1  0.630989  0.329206  0.288293  1
  Ni  Ni23  1  0.318743  0.945116  0.319295  1
  Ni  Ni24  1  0.464322  0.995873  0.288293  1
  Ni  Ni25  1  0.475297  0.634383  0.303225  1
  Ni  Ni26  1  0.652077  0.611783  0.319295  1
  Ni  Ni27  1  0.797656  0.662539  0.288293  1
  Ni  Ni28  1  0.808630  0.301050  0.303225  1
  Ni  Ni29  1  0.985410  0.278449  0.319295  1
  Ni  Ni30  1  0.130989  0.329206  0.288293  1
  Ni  Ni31  1  0.641963  0.967716  0.303225  1
  Ni  Ni32  1  0.818743  0.945116  0.319295  1
  Ni  Ni33  1  0.964322  0.995873  0.288293  1
  Ni  Ni34  1  0.975297  0.634383  0.303225  1
  Ni  Ni35  1  0.152077  0.611783  0.319295  1
  Ni  Ni36  1  0.141963  0.967716  0.303225  1
  Ni  Ni37  1  0.302316  0.694139  0.377150  1
  Ni  Ni38  1  0.282117  0.407588  0.345191  1
  Ni  Ni39  1  0.458279  0.384000  0.361198  1
  Ni  Ni40  1  0.635649  0.360806  0.377150  1
  Ni  Ni41  1  0.291612  0.050667  0.361198  1
  Ni  Ni42  1  0.468983  0.027472  0.377150  1
  Ni  Ni43  1  0.448784  0.740922  0.345191  1
  Ni  Ni44  1  0.624946  0.717334  0.361198  1
  Ni  Ni45  1  0.802316  0.694139  0.377150  1
  Ni  Ni46  1  0.782117  0.407588  0.345191  1
  Ni  Ni47  1  0.958279  0.384000  0.361198  1
  Ni  Ni48  1  0.135649  0.360806  0.377150  1
  Ni  Ni49  1  0.615450  0.074255  0.345191  1
  Ni  Ni50  1  0.791612  0.050667  0.361198  1
  Ni  Ni51  1  0.968983  0.027472  0.377150  1
  Ni  Ni52  1  0.948784  0.740922  0.345191  1
  Ni  Ni53  1  0.124946  0.717334  0.361198  1
  Ni  Ni54  1  0.115450  0.074255  0.345191  1
  Ni  Ni55  1  0.330476  0.590003  0.335183  1
  Ni  Ni56  1  0.339846  0.233061  0.350883  1
  Ni  Ni57  1  0.517613  0.209778  0.366582  1
  Ni  Ni58  1  0.663809  0.256670  0.335183  1
  Ni  Ni59  1  0.350946  0.876445  0.366582  1
  Ni  Ni60  1  0.497143  0.923336  0.335183  1
  Ni  Ni61  1  0.506513  0.566394  0.350883  1
  Ni  Ni62  1  0.684279  0.543112  0.366582  1
  Ni  Ni63  1  0.830476  0.590003  0.335183  1
  Ni  Ni64  1  0.839846  0.233061  0.350883  1
  Ni  Ni65  1  0.017613  0.209778  0.366582  1
  Ni  Ni66  1  0.163809  0.256670  0.335183  1
  Ni  Ni67  1  0.673180  0.899728  0.350883  1
  Ni  Ni68  1  0.850946  0.876445  0.366582  1
  Ni  Ni69  1  0.997143  0.923336  0.335183  1
  Ni  Ni70  1  0.006513  0.566394  0.350883  1
  Ni  Ni71  1  0.184279  0.543112  0.366582  1
  Ni  Ni72  1  0.173180  0.899728  0.350883  1
  Ni  Ni73  1  0.332988  0.623536  0.424792  1
  Ni  Ni74  1  0.312384  0.337174  0.393002  1
  Ni  Ni75  1  0.489360  0.313679  0.408873  1
  Ni  Ni76  1  0.666321  0.290203  0.424792  1
  Ni  Ni77  1  0.322693  0.980346  0.408873  1
  Ni  Ni78  1  0.499655  0.956870  0.424792  1
  Ni  Ni79  1  0.479051  0.670507  0.393002  1
  Ni  Ni80  1  0.656026  0.647012  0.408873  1
  Ni  Ni81  1  0.832988  0.623536  0.424792  1
  Ni  Ni82  1  0.812384  0.337174  0.393002  1
  Ni  Ni83  1  0.989360  0.313679  0.408873  1
  Ni  Ni84  1  0.166321  0.290203  0.424792  1
  Ni  Ni85  1  0.645718  0.003840  0.393002  1
  Ni  Ni86  1  0.822693  0.980346  0.408873  1
  Ni  Ni87  1  0.999655  0.956870  0.424792  1
  Ni  Ni88  1  0.979051  0.670507  0.393002  1
  Ni  Ni89  1  0.156026  0.647012  0.408873  1
  Ni  Ni90  1  0.145718  0.003840  0.393002  1
  Ni  Ni91  1  0.360686  0.519165  0.382486  1
  Ni  Ni92  1  0.370992  0.162488  0.398297  1
  Ni  Ni93  1  0.547810  0.139119  0.414292  1
  Ni  Ni94  1  0.694020  0.185831  0.382486  1
  Ni  Ni95  1  0.381144  0.805786  0.414292  1
  Ni  Ni96  1  0.527353  0.852498  0.382486  1
  Ni  Ni97  1  0.537659  0.495822  0.398297  1
  Ni  Ni98  1  0.714477  0.472453  0.414292  1
  Ni  Ni99  1  0.860686  0.519165  0.382486  1
  Ni  Ni100  1  0.870992  0.162488  0.398297  1
  Ni  Ni101  1  0.047810  0.139119  0.414292  1
  Ni  Ni102  1  0.194020  0.185831  0.382486  1
  Ni  Ni103  1  0.704326  0.829155  0.398297  1
  Ni  Ni104  1  0.881144  0.805786  0.414292  1
  Ni  Ni105  1  0.027353  0.852498  0.382486  1
  Ni  Ni106  1  0.037659  0.495822  0.398297  1
  Ni  Ni107  1  0.214477  0.472453  0.414292  1
  Ni  Ni108  1  0.204326  0.829155  0.398297  1
  Ni  Ni109  1  0.363778  0.553115  0.472481  1
  Ni  Ni110  1  0.343277  0.266691  0.440668  1
  Ni  Ni111  1  0.520179  0.243271  0.456588  1
  Ni  Ni112  1  0.697111  0.219781  0.472481  1
  Ni  Ni113  1  0.353512  0.909938  0.456588  1
  Ni  Ni114  1  0.530445  0.886448  0.472481  1
  Ni  Ni115  1  0.509943  0.600024  0.440668  1
  Ni  Ni116  1  0.686846  0.576604  0.456588  1
  Ni  Ni117  1  0.863778  0.553115  0.472481  1
  Ni  Ni118  1  0.843277  0.266691  0.440668  1
  Ni  Ni119  1  0.020179  0.243271  0.456588  1
  Ni  Ni120  1  0.197111  0.219781  0.472481  1
  Ni  Ni121  1  0.676610  0.933358  0.440668  1
  Ni  Ni122  1  0.853512  0.909938  0.456588  1
  Ni  Ni123  1  0.030445  0.886448  0.472481  1
  Ni  Ni124  1  0.009943  0.600024  0.440668  1
  Ni  Ni125  1  0.186846  0.576604  0.456588  1
  Ni  Ni126  1  0.176610  0.933358  0.440668  1
  Ni  Ni127  1  0.391410  0.448915  0.430164  1
  Ni  Ni128  1  0.401620  0.092118  0.446053  1
  Ni  Ni129  1  0.578550  0.068638  0.461967  1
  Ni  Ni130  1  0.724744  0.115581  0.430164  1
  Ni  Ni131  1  0.411884  0.735305  0.461967  1
  Ni  Ni132  1  0.558077  0.782248  0.430164  1
  Ni  Ni133  1  0.568287  0.425451  0.446053  1
  Ni  Ni134  1  0.745217  0.401971  0.461967  1
  Ni  Ni135  1  0.891410  0.448915  0.430164  1
  Ni  Ni136  1  0.901620  0.092118  0.446053  1
  Ni  Ni137  1  0.078550  0.068638  0.461967  1
  Ni  Ni138  1  0.224744  0.115581  0.430164  1
  Ni  Ni139  1  0.734953  0.758784  0.446053  1
  Ni  Ni140  1  0.911884  0.735305  0.461967  1
  Ni  Ni141  1  0.058077  0.782248  0.430164  1
  Ni  Ni142  1  0.068287  0.425451  0.446053  1
  Ni  Ni143  1  0.245217  0.401971  0.461967  1
  Ni  Ni144  1  0.234953  0.758784  0.446053  1
  Ni  Ni145  1  0.394536  0.482708  0.520182  1
  Ni  Ni146  1  0.374023  0.196311  0.488376  1
  Ni  Ni147  1  0.550944  0.172840  0.504283  1
  Ni  Ni148  1  0.727869  0.149375  0.520182  1
  Ni  Ni149  1  0.384277  0.839507  0.504283  1
  Ni  Ni150  1  0.561202  0.816041  0.520182  1
  Ni  Ni151  1  0.540690  0.529644  0.488376  1
  Ni  Ni152  1  0.717611  0.506173  0.504283  1
  Ni  Ni153  1  0.894536  0.482708  0.520182  1
  Ni  Ni154  1  0.874023  0.196311  0.488376  1
  Ni  Ni155  1  0.050944  0.172840  0.504283  1
  Ni  Ni156  1  0.227869  0.149375  0.520182  1
  Ni  Ni157  1  0.707356  0.862977  0.488376  1
  Ni  Ni158  1  0.884277  0.839507  0.504283  1
  Ni  Ni159  1  0.061202  0.816041  0.520182  1
  Ni  Ni160  1  0.040690  0.529644  0.488376  1
  Ni  Ni161  1  0.217611  0.506173  0.504283  1
  Ni  Ni162  1  0.207356  0.862977  0.488376  1
  Ni  Ni163  1  0.422122  0.378501  0.477863  1
  Ni  Ni164  1  0.432380  0.021703  0.493762  1
  Ni  Ni165  1  0.609301  0.998232  0.509669  1
  Ni  Ni166  1  0.755455  0.045168  0.477863  1
  Ni  Ni167  1  0.442635  0.664899  0.509669  1
  Ni  Ni168  1  0.588789  0.711835  0.477863  1
  Ni  Ni169  1  0.599047  0.355036  0.493762  1
  Ni  Ni170  1  0.775968  0.331565  0.509669  1
  Ni  Ni171  1  0.922122  0.378501  0.477863  1
  Ni  Ni172  1  0.932380  0.021703  0.493762  1
  Ni  Ni173  1  0.109301  0.998232  0.509669  1
  Ni  Ni174  1  0.255455  0.045168  0.477863  1
  Ni  Ni175  1  0.765714  0.688370  0.493762  1
  Ni  Ni176  1  0.942635  0.664899  0.509669  1
  Ni  Ni177  1  0.088789  0.711835  0.477863  1
  Ni  Ni178  1  0.099047  0.355036  0.493762  1
  Ni  Ni179  1  0.275968  0.331565  0.509669  1
  Ni  Ni180  1  0.265714  0.688370  0.493762  1
  Ni  Ni181  1  0.425247  0.412295  0.567882  1
  Ni  Ni182  1  0.404774  0.125905  0.536078  1
  Ni  Ni183  1  0.581704  0.102425  0.551992  1
  Ni  Ni184  1  0.758581  0.078961  0.567882  1
  Ni  Ni185  1  0.415038  0.769092  0.551992  1
  Ni  Ni186  1  0.591914  0.745628  0.567882  1
  Ni  Ni187  1  0.571441  0.459238  0.536078  1
  Ni  Ni188  1  0.748371  0.435758  0.551992  1
  Ni  Ni189  1  0.925247  0.412295  0.567882  1
  Ni  Ni190  1  0.904774  0.125905  0.536078  1
  Ni  Ni191  1  0.081704  0.102425  0.551992  1
  Ni  Ni192  1  0.258581  0.078961  0.567882  1
  Ni  Ni193  1  0.738107  0.792572  0.536078  1
  Ni  Ni194  1  0.915038  0.769092  0.551992  1
  Ni  Ni195  1  0.091914  0.745628  0.567882  1
  Ni  Ni196  1  0.071441  0.459238  0.536078  1
  Ni  Ni197  1  0.248371  0.435758  0.551992  1
  Ni  Ni198  1  0.238107  0.792572  0.536078  1
  Ni  Ni199  1  0.452880  0.308095  0.525565  1
  Ni  Ni200  1  0.463145  0.951272  0.541457  1
  Ni  Ni201  1  0.640048  0.927852  0.557378  1
  Ni  Ni202  1  0.786213  0.974761  0.525565  1
  Ni  Ni203  1  0.473381  0.594519  0.557378  1
  Ni  Ni204  1  0.619546  0.641428  0.525565  1
  Ni  Ni205  1  0.629812  0.284605  0.541457  1
  Ni  Ni206  1  0.806714  0.261185  0.557378  1
  Ni  Ni207  1  0.952880  0.308095  0.525565  1
  Ni  Ni208  1  0.963145  0.951272  0.541457  1
  Ni  Ni209  1  0.140048  0.927852  0.557378  1
  Ni  Ni210  1  0.286213  0.974761  0.525565  1
  Ni  Ni211  1  0.796479  0.617938  0.541457  1
  Ni  Ni212  1  0.973381  0.594519  0.557378  1
  Ni  Ni213  1  0.119546  0.641428  0.525565  1
  Ni  Ni214  1  0.129812  0.284605  0.541457  1
  Ni  Ni215  1  0.306714  0.261185  0.557378  1
  Ni  Ni216  1  0.296479  0.617938  0.541457  1
  Ni  Ni217  1  0.455971  0.342045  0.615559  1
  Ni  Ni218  1  0.435514  0.055423  0.583753  1
  Ni  Ni219  1  0.612332  0.032055  0.599748  1
  Ni  Ni220  1  0.789305  0.008711  0.615559  1
  Ni  Ni221  1  0.445665  0.698721  0.599748  1
  Ni  Ni222  1  0.622638  0.675378  0.615559  1
  Ni  Ni223  1  0.602181  0.388757  0.583753  1
  Ni  Ni224  1  0.778999  0.365388  0.599748  1
  Ni  Ni225  1  0.955971  0.342045  0.615559  1
  Ni  Ni226  1  0.935514  0.055423  0.583753  1
  Ni  Ni227  1  0.112332  0.032055  0.599748  1
  Ni  Ni228  1  0.289305  0.008711  0.615559  1
  Ni  Ni229  1  0.768847  0.722090  0.583753  1
  Ni  Ni230  1  0.945665  0.698721  0.599748  1
  Ni  Ni231  1  0.122638  0.675378  0.615559  1
  Ni  Ni232  1  0.102181  0.388757  0.583753  1
  Ni  Ni233  1  0.278999  0.365388  0.599748  1
  Ni  Ni234  1  0.268847  0.722090  0.583753  1
  Ni  Ni235  1  0.483670  0.237673  0.573253  1
  Ni  Ni236  1  0.493965  0.880864  0.589172  1
  Ni  Ni237  1  0.670940  0.857369  0.605043  1
  Ni  Ni238  1  0.817003  0.904340  0.573253  1
  Ni  Ni239  1  0.504273  0.524036  0.605043  1
  Ni  Ni240  1  0.650336  0.571006  0.573253  1
  Ni  Ni241  1  0.660631  0.214197  0.589172  1
  Ni  Ni242  1  0.837607  0.190703  0.605043  1
  Ni  Ni243  1  0.983670  0.237673  0.573253  1
  Ni  Ni244  1  0.993965  0.880864  0.589172  1
  Ni  Ni245  1  0.170940  0.857369  0.605043  1
  Ni  Ni246  1  0.317003  0.904340  0.573253  1
  Ni  Ni247  1  0.827298  0.547530  0.589172  1
  Ni  Ni248  1  0.004273  0.524036  0.605043  1
  Ni  Ni249  1  0.150336  0.571006  0.573253  1
  Ni  Ni250  1  0.160631  0.214197  0.589172  1
  Ni  Ni251  1  0.337607  0.190703  0.605043  1
  Ni  Ni252  1  0.327298  0.547530  0.589172  1
  Ni  Ni253  1  0.486182  0.271207  0.662863  1
  Ni  Ni254  1  0.465712  0.984764  0.631463  1
  Ni  Ni255  1  0.643478  0.961482  0.647162  1
  Ni  Ni256  1  0.819515  0.937873  0.662863  1
  Ni  Ni257  1  0.476811  0.628149  0.647162  1
  Ni  Ni258  1  0.652848  0.604540  0.662863  1
  Ni  Ni259  1  0.632378  0.318098  0.631463  1
  Ni  Ni260  1  0.810145  0.294815  0.647162  1
  Ni  Ni261  1  0.986182  0.271207  0.662863  1
  Ni  Ni262  1  0.965712  0.984764  0.631463  1
  Ni  Ni263  1  0.143478  0.961482  0.647162  1
  Ni  Ni264  1  0.319515  0.937873  0.662863  1
  Ni  Ni265  1  0.799045  0.651431  0.631463  1
  Ni  Ni266  1  0.976811  0.628149  0.647162  1
  Ni  Ni267  1  0.152848  0.604540  0.662863  1
  Ni  Ni268  1  0.132378  0.318098  0.631463  1
  Ni  Ni269  1  0.310145  0.294815  0.647162  1
  Ni  Ni270  1  0.299045  0.651431  0.631463  1
  Ni  Ni271  1  0.514342  0.167071  0.620896  1
  Ni  Ni272  1  0.525045  0.810542  0.636848  1
  Ni  Ni273  1  0.701207  0.786954  0.652854  1
  Ni  Ni274  1  0.847675  0.833737  0.620896  1
  Ni  Ni275  1  0.534541  0.453621  0.652854  1
  Ni  Ni276  1  0.681008  0.500404  0.620896  1
  Ni  Ni277  1  0.691712  0.143876  0.636848  1
  Ni  Ni278  1  0.867874  0.120288  0.652854  1
  Ni  Ni279  1  0.014342  0.167071  0.620896  1
  Ni  Ni280  1  0.025045  0.810542  0.636848  1
  Ni  Ni281  1  0.201207  0.786954  0.652854  1
  Ni  Ni282  1  0.347675  0.833737  0.620896  1
  Ni  Ni283  1  0.858379  0.477209  0.636848  1
  Ni  Ni284  1  0.034541  0.453621  0.652854  1
  Ni  Ni285  1  0.181008  0.500404  0.620896  1
  Ni  Ni286  1  0.191712  0.143876  0.636848  1
  Ni  Ni287  1  0.367874  0.120288  0.652854  1
  Ni  Ni288  1  0.358379  0.477209  0.636848  1
  Ni  Ni289  1  0.519002  0.198670  0.709752  1
  Ni  Ni290  1  0.497914  0.916093  0.678750  1
  Ni  Ni291  1  0.674694  0.893493  0.694820  1
  Ni  Ni292  1  0.852335  0.865337  0.709752  1
  Ni  Ni293  1  0.508028  0.560160  0.694820  1
  Ni  Ni294  1  0.685669  0.532004  0.709752  1
  Ni  Ni295  1  0.664581  0.249427  0.678750  1
  Ni  Ni296  1  0.841361  0.226826  0.694820  1
  Ni  Ni297  1  0.019002  0.198670  0.709752  1
  Ni  Ni298  1  0.997914  0.916093  0.678750  1
  Ni  Ni299  1  0.174694  0.893493  0.694820  1
  Ni  Ni300  1  0.352335  0.865337  0.709752  1
  Ni  Ni301  1  0.831248  0.582760  0.678750  1
  Ni  Ni302  1  0.008028  0.560160  0.694820  1
  Ni  Ni303  1  0.185669  0.532004  0.709752  1
  Ni  Ni304  1  0.164581  0.249427  0.678750  1
  Ni  Ni305  1  0.341361  0.226826  0.694820  1
  Ni  Ni306  1  0.331248  0.582760  0.678750  1
  Ni  Ni307  1  0.545017  0.096478  0.667993  1
  Ni  Ni308  1  0.553592  0.741672  0.684767  1
  Ni  Ni309  1  0.730952  0.716086  0.699733  1
  Ni  Ni310  1  0.878350  0.763145  0.667993  1
  Ni  Ni311  1  0.564286  0.382753  0.699733  1
  Ni  Ni312  1  0.711683  0.429811  0.667993  1
  Ni  Ni313  1  0.720259  0.075006  0.684767  1
  Ni  Ni314  1  0.897619  0.049419  0.699733  1
  Ni  Ni315  1  0.045017  0.096478  0.667993  1
  Ni  Ni316  1  0.053592  0.741672  0.684767  1
  Ni  Ni317  1  0.230952  0.716086  0.699733  1
  Ni  Ni318  1  0.378350  0.763145  0.667993  1
  Ni  Ni319  1  0.886926  0.408339  0.684767  1
  Ni  Ni320  1  0.064286  0.382753  0.699733  1
  Ni  Ni321  1  0.211683  0.429811  0.667993  1
  Ni  Ni322  1  0.220259  0.075006  0.684767  1
  Ni  Ni323  1  0.397619  0.049419  0.699733  1
  Ni  Ni324  1  0.386926  0.408339  0.684767  1
