# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.10202876
_cell_length_b   11.10166532
_cell_length_c   47.76638939
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5857.74538656
_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  0.925164  0.258657  0.299740  1
  Ni  Ni2  1  0.258497  0.925324  0.299740  1
  Ni  Ni3  1  0.228759  0.228920  0.322325  1
  Ni  Ni4  1  0.591831  0.591990  0.299740  1
  Ni  Ni5  1  0.562092  0.895586  0.322325  1
  Ni  Ni6  1  0.623232  0.290064  0.278441  1
  Ni  Ni7  1  0.895425  0.562253  0.322325  1
  Ni  Ni8  1  0.956565  0.956731  0.278441  1
  Ni  Ni9  1  0.289899  0.623398  0.278441  1
  Ni  Ni10  1  0.062092  0.395586  0.322325  1
  Ni  Ni11  1  0.395425  0.062253  0.322325  1
  Ni  Ni12  1  0.456565  0.456731  0.278441  1
  Ni  Ni13  1  0.728759  0.728920  0.322325  1
  Ni  Ni14  1  0.789899  0.123398  0.278441  1
  Ni  Ni15  1  0.758497  0.425324  0.299740  1
  Ni  Ni16  1  0.123232  0.790064  0.278441  1
  Ni  Ni17  1  0.091831  0.091990  0.299740  1
  Ni  Ni18  1  0.425164  0.758657  0.299740  1
  Ni  Ni19  1  0.956565  0.456731  0.278441  1
  Ni  Ni20  1  0.289899  0.123398  0.278441  1
  Ni  Ni21  1  0.258497  0.425324  0.299740  1
  Ni  Ni22  1  0.623232  0.790064  0.278441  1
  Ni  Ni23  1  0.591831  0.091990  0.299740  1
  Ni  Ni24  1  0.562092  0.395586  0.322325  1
  Ni  Ni25  1  0.925164  0.758657  0.299740  1
  Ni  Ni26  1  0.895425  0.062253  0.322325  1
  Ni  Ni27  1  0.228759  0.728920  0.322325  1
  Ni  Ni28  1  0.123232  0.290064  0.278441  1
  Ni  Ni29  1  0.456565  0.956731  0.278441  1
  Ni  Ni30  1  0.425164  0.258657  0.299740  1
  Ni  Ni31  1  0.789899  0.623398  0.278441  1
  Ni  Ni32  1  0.758497  0.925324  0.299740  1
  Ni  Ni33  1  0.728759  0.228920  0.322325  1
  Ni  Ni34  1  0.091831  0.591990  0.299740  1
  Ni  Ni35  1  0.062092  0.895586  0.322325  1
  Ni  Ni36  1  0.395425  0.562253  0.322325  1
  Ni  Ni37  1  0.835445  0.168937  0.366353  1
  Ni  Ni38  1  0.168779  0.835604  0.366353  1
  Ni  Ni39  1  0.138280  0.138436  0.388498  1
  Ni  Ni40  1  0.502112  0.502270  0.366353  1
  Ni  Ni41  1  0.471613  0.805102  0.388498  1
  Ni  Ni42  1  0.532171  0.198996  0.343879  1
  Ni  Ni43  1  0.804946  0.471769  0.388498  1
  Ni  Ni44  1  0.865504  0.865662  0.343879  1
  Ni  Ni45  1  0.198837  0.532329  0.343879  1
  Ni  Ni46  1  0.971613  0.305102  0.388498  1
  Ni  Ni47  1  0.304946  0.971769  0.388498  1
  Ni  Ni48  1  0.365504  0.365662  0.343879  1
  Ni  Ni49  1  0.638280  0.638436  0.388498  1
  Ni  Ni50  1  0.698837  0.032329  0.343879  1
  Ni  Ni51  1  0.668779  0.335604  0.366353  1
  Ni  Ni52  1  0.032171  0.698996  0.343879  1
  Ni  Ni53  1  0.002112  0.002270  0.366353  1
  Ni  Ni54  1  0.335445  0.668937  0.366353  1
  Ni  Ni55  1  0.865504  0.365662  0.343879  1
  Ni  Ni56  1  0.198837  0.032329  0.343879  1
  Ni  Ni57  1  0.168779  0.335604  0.366353  1
  Ni  Ni58  1  0.532171  0.698996  0.343879  1
  Ni  Ni59  1  0.502112  0.002270  0.366353  1
  Ni  Ni60  1  0.471613  0.305102  0.388498  1
  Ni  Ni61  1  0.835445  0.668937  0.366353  1
  Ni  Ni62  1  0.804946  0.971769  0.388498  1
  Ni  Ni63  1  0.138280  0.638436  0.388498  1
  Ni  Ni64  1  0.032171  0.198996  0.343879  1
  Ni  Ni65  1  0.365504  0.865662  0.343879  1
  Ni  Ni66  1  0.335445  0.168937  0.366353  1
  Ni  Ni67  1  0.698837  0.532329  0.343879  1
  Ni  Ni68  1  0.668779  0.835604  0.366353  1
  Ni  Ni69  1  0.638280  0.138436  0.388498  1
  Ni  Ni70  1  0.002112  0.502270  0.366353  1
  Ni  Ni71  1  0.971613  0.805102  0.388498  1
  Ni  Ni72  1  0.304946  0.471769  0.388498  1
  Ni  Ni73  1  0.744041  0.077528  0.433089  1
  Ni  Ni74  1  0.077374  0.744194  0.433089  1
  Ni  Ni75  1  0.046932  0.047084  0.455385  1
  Ni  Ni76  1  0.410707  0.410861  0.433089  1
  Ni  Ni77  1  0.380265  0.713751  0.455385  1
  Ni  Ni78  1  0.441178  0.108000  0.410853  1
  Ni  Ni79  1  0.713599  0.380418  0.455385  1
  Ni  Ni80  1  0.774511  0.774666  0.410853  1
  Ni  Ni81  1  0.107845  0.441333  0.410853  1
  Ni  Ni82  1  0.880265  0.213751  0.455385  1
  Ni  Ni83  1  0.213599  0.880418  0.455385  1
  Ni  Ni84  1  0.274511  0.274666  0.410853  1
  Ni  Ni85  1  0.546932  0.547084  0.455385  1
  Ni  Ni86  1  0.607845  0.941333  0.410853  1
  Ni  Ni87  1  0.577374  0.244194  0.433089  1
  Ni  Ni88  1  0.941178  0.608000  0.410853  1
  Ni  Ni89  1  0.910707  0.910861  0.433089  1
  Ni  Ni90  1  0.244041  0.577528  0.433089  1
  Ni  Ni91  1  0.774511  0.274666  0.410853  1
  Ni  Ni92  1  0.107845  0.941333  0.410853  1
  Ni  Ni93  1  0.077374  0.244194  0.433089  1
  Ni  Ni94  1  0.441178  0.608000  0.410853  1
  Ni  Ni95  1  0.410707  0.910861  0.433089  1
  Ni  Ni96  1  0.380265  0.213751  0.455385  1
  Ni  Ni97  1  0.744041  0.577528  0.433089  1
  Ni  Ni98  1  0.713599  0.880418  0.455385  1
  Ni  Ni99  1  0.046932  0.547084  0.455385  1
  Ni  Ni100  1  0.941178  0.108000  0.410853  1
  Ni  Ni101  1  0.274511  0.774666  0.410853  1
  Ni  Ni102  1  0.244041  0.077528  0.433089  1
  Ni  Ni103  1  0.607845  0.441333  0.410853  1
  Ni  Ni104  1  0.577374  0.744194  0.433089  1
  Ni  Ni105  1  0.546932  0.047084  0.455385  1
  Ni  Ni106  1  0.910707  0.410861  0.433089  1
  Ni  Ni107  1  0.880265  0.713751  0.455385  1
  Ni  Ni108  1  0.213599  0.380418  0.455385  1
  Ni  Ni109  1  0.652697  0.986179  0.499927  1
  Ni  Ni110  1  0.986030  0.652846  0.499927  1
  Ni  Ni111  1  0.955581  0.955729  0.522204  1
  Ni  Ni112  1  0.319363  0.319513  0.499927  1
  Ni  Ni113  1  0.288915  0.622396  0.522204  1
  Ni  Ni114  1  0.349812  0.016629  0.477649  1
  Ni  Ni115  1  0.622248  0.289063  0.522204  1
  Ni  Ni116  1  0.683145  0.683296  0.477649  1
  Ni  Ni117  1  0.016478  0.349963  0.477649  1
  Ni  Ni118  1  0.788915  0.122396  0.522204  1
  Ni  Ni119  1  0.122248  0.789063  0.522204  1
  Ni  Ni120  1  0.183145  0.183296  0.477649  1
  Ni  Ni121  1  0.455581  0.455729  0.522204  1
  Ni  Ni122  1  0.516478  0.849963  0.477649  1
  Ni  Ni123  1  0.486030  0.152846  0.499927  1
  Ni  Ni124  1  0.849812  0.516629  0.477649  1
  Ni  Ni125  1  0.819363  0.819513  0.499927  1
  Ni  Ni126  1  0.152697  0.486179  0.499927  1
  Ni  Ni127  1  0.683145  0.183296  0.477649  1
  Ni  Ni128  1  0.016478  0.849963  0.477649  1
  Ni  Ni129  1  0.986030  0.152846  0.499927  1
  Ni  Ni130  1  0.349812  0.516629  0.477649  1
  Ni  Ni131  1  0.319363  0.819513  0.499927  1
  Ni  Ni132  1  0.288915  0.122396  0.522204  1
  Ni  Ni133  1  0.652697  0.486179  0.499927  1
  Ni  Ni134  1  0.622248  0.789063  0.522204  1
  Ni  Ni135  1  0.955581  0.455729  0.522204  1
  Ni  Ni136  1  0.849812  0.016629  0.477649  1
  Ni  Ni137  1  0.183145  0.683296  0.477649  1
  Ni  Ni138  1  0.152697  0.986179  0.499927  1
  Ni  Ni139  1  0.516478  0.349963  0.477649  1
  Ni  Ni140  1  0.486030  0.652846  0.499927  1
  Ni  Ni141  1  0.455581  0.955729  0.522204  1
  Ni  Ni142  1  0.819363  0.319513  0.499927  1
  Ni  Ni143  1  0.788915  0.622396  0.522204  1
  Ni  Ni144  1  0.122248  0.289063  0.522204  1
  Ni  Ni145  1  0.561352  0.894831  0.566764  1
  Ni  Ni146  1  0.894686  0.561498  0.566764  1
  Ni  Ni147  1  0.864215  0.864359  0.589000  1
  Ni  Ni148  1  0.228019  0.228164  0.566764  1
  Ni  Ni149  1  0.197549  0.531026  0.589000  1
  Ni  Ni150  1  0.258461  0.925274  0.544469  1
  Ni  Ni151  1  0.530882  0.197692  0.589000  1
  Ni  Ni152  1  0.591794  0.591941  0.544469  1
  Ni  Ni153  1  0.925128  0.258608  0.544469  1
  Ni  Ni154  1  0.697549  0.031026  0.589000  1
  Ni  Ni155  1  0.030882  0.697692  0.589000  1
  Ni  Ni156  1  0.091794  0.091941  0.544469  1
  Ni  Ni157  1  0.364215  0.364359  0.589000  1
  Ni  Ni158  1  0.425128  0.758608  0.544469  1
  Ni  Ni159  1  0.394686  0.061498  0.566764  1
  Ni  Ni160  1  0.758461  0.425274  0.544469  1
  Ni  Ni161  1  0.728019  0.728164  0.566764  1
  Ni  Ni162  1  0.061352  0.394831  0.566764  1
  Ni  Ni163  1  0.591794  0.091941  0.544469  1
  Ni  Ni164  1  0.925128  0.758608  0.544469  1
  Ni  Ni165  1  0.894686  0.061498  0.566764  1
  Ni  Ni166  1  0.258461  0.425274  0.544469  1
  Ni  Ni167  1  0.228019  0.728164  0.566764  1
  Ni  Ni168  1  0.197549  0.031026  0.589000  1
  Ni  Ni169  1  0.561352  0.394831  0.566764  1
  Ni  Ni170  1  0.530882  0.697692  0.589000  1
  Ni  Ni171  1  0.864215  0.364359  0.589000  1
  Ni  Ni172  1  0.758461  0.925274  0.544469  1
  Ni  Ni173  1  0.091794  0.591941  0.544469  1
  Ni  Ni174  1  0.061352  0.894831  0.566764  1
  Ni  Ni175  1  0.425128  0.258608  0.544469  1
  Ni  Ni176  1  0.394686  0.561498  0.566764  1
  Ni  Ni177  1  0.364215  0.864359  0.589000  1
  Ni  Ni178  1  0.728019  0.228164  0.566764  1
  Ni  Ni179  1  0.697549  0.531026  0.589000  1
  Ni  Ni180  1  0.030882  0.197692  0.589000  1
  Ni  Ni181  1  0.469948  0.803422  0.633501  1
  Ni  Ni182  1  0.803281  0.470088  0.633501  1
  Ni  Ni183  1  0.773223  0.773363  0.655975  1
  Ni  Ni184  1  0.136614  0.136755  0.633501  1
  Ni  Ni185  1  0.106556  0.440030  0.655975  1
  Ni  Ni186  1  0.167114  0.833923  0.611355  1
  Ni  Ni187  1  0.439889  0.106696  0.655975  1
  Ni  Ni188  1  0.500447  0.500590  0.611355  1
  Ni  Ni189  1  0.833780  0.167256  0.611355  1
  Ni  Ni190  1  0.606556  0.940030  0.655975  1
  Ni  Ni191  1  0.939889  0.606696  0.655975  1
  Ni  Ni192  1  1.000447  1.000590  0.611355  1
  Ni  Ni193  1  0.273223  0.273363  0.655975  1
  Ni  Ni194  1  0.333780  0.667256  0.611355  1
  Ni  Ni195  1  0.303281  0.970088  0.633501  1
  Ni  Ni196  1  0.667114  0.333923  0.611355  1
  Ni  Ni197  1  0.636614  0.636755  0.633501  1
  Ni  Ni198  1  0.969948  0.303422  0.633501  1
  Ni  Ni199  1  0.500447  1.000590  0.611355  1
  Ni  Ni200  1  0.833780  0.667256  0.611355  1
  Ni  Ni201  1  0.803281  0.970088  0.633501  1
  Ni  Ni202  1  0.167114  0.333923  0.611355  1
  Ni  Ni203  1  0.136614  0.636755  0.633501  1
  Ni  Ni204  1  0.106556  0.940030  0.655975  1
  Ni  Ni205  1  0.469948  0.303422  0.633501  1
  Ni  Ni206  1  0.439889  0.606696  0.655975  1
  Ni  Ni207  1  0.773223  0.273363  0.655975  1
  Ni  Ni208  1  0.667114  0.833923  0.611355  1
  Ni  Ni209  1  1.000447  0.500590  0.611355  1
  Ni  Ni210  1  0.969948  0.803422  0.633501  1
  Ni  Ni211  1  0.333780  0.167256  0.611355  1
  Ni  Ni212  1  0.303281  0.470088  0.633501  1
  Ni  Ni213  1  0.273223  0.773363  0.655975  1
  Ni  Ni214  1  0.636614  0.136755  0.633501  1
  Ni  Ni215  1  0.606556  0.440030  0.655975  1
  Ni  Ni216  1  0.939889  0.106696  0.655975  1
  Ni  Ni217  1  0.380229  0.713702  0.700113  1
  Ni  Ni218  1  0.713562  0.380368  0.700113  1
  Ni  Ni219  1  0.682161  0.682294  0.721412  1
  Ni  Ni220  1  0.046896  0.047035  0.700113  1
  Ni  Ni221  1  0.015494  0.348961  0.721412  1
  Ni  Ni222  1  0.076635  0.743439  0.677528  1
  Ni  Ni223  1  0.348828  0.015628  0.721412  1
  Ni  Ni224  1  0.409968  0.410106  0.677528  1
  Ni  Ni225  1  0.743301  0.076772  0.677528  1
  Ni  Ni226  1  0.515494  0.848961  0.721412  1
  Ni  Ni227  1  0.848828  0.515628  0.721412  1
  Ni  Ni228  1  0.909968  0.910106  0.677528  1
  Ni  Ni229  1  0.182161  0.182294  0.721412  1
  Ni  Ni230  1  0.243301  0.576772  0.677528  1
  Ni  Ni231  1  0.213562  0.880368  0.700113  1
  Ni  Ni232  1  0.576635  0.243439  0.677528  1
  Ni  Ni233  1  0.546896  0.547035  0.700113  1
  Ni  Ni234  1  0.880229  0.213702  0.700113  1
  Ni  Ni235  1  0.409968  0.910106  0.677528  1
  Ni  Ni236  1  0.743301  0.576772  0.677528  1
  Ni  Ni237  1  0.713562  0.880368  0.700113  1
  Ni  Ni238  1  0.076635  0.243439  0.677528  1
  Ni  Ni239  1  0.046896  0.547035  0.700113  1
  Ni  Ni240  1  0.015494  0.848961  0.721412  1
  Ni  Ni241  1  0.380229  0.213702  0.700113  1
  Ni  Ni242  1  0.348828  0.515628  0.721412  1
  Ni  Ni243  1  0.682161  0.182294  0.721412  1
  Ni  Ni244  1  0.576635  0.743439  0.677528  1
  Ni  Ni245  1  0.909968  0.410106  0.677528  1
  Ni  Ni246  1  0.880229  0.713702  0.700113  1
  Ni  Ni247  1  0.243301  0.076772  0.677528  1
  Ni  Ni248  1  0.213562  0.380368  0.700113  1
  Ni  Ni249  1  0.182161  0.682294  0.721412  1
  Ni  Ni250  1  0.546896  0.047035  0.700113  1
  Ni  Ni251  1  0.515494  0.348961  0.721412  1
  Ni  Ni252  1  0.848828  0.015628  0.721412  1
