# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.87427839
_cell_length_b   11.05480662
_cell_length_c   46.49869549
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.52790927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5385.79568725
_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  0.292999  0.194506  0.295875  1
  Ni  Ni2  1  0.959666  0.194506  0.295875  1
  Ni  Ni3  1  0.889086  0.720560  0.284342  1
  Ni  Ni4  1  0.626333  0.194506  0.295875  1
  Ni  Ni5  1  0.555753  0.720560  0.284342  1
  Ni  Ni6  1  0.222419  0.720560  0.284342  1
  Ni  Ni7  1  0.109571  0.925779  0.300407  1
  Ni  Ni8  1  0.776238  0.925779  0.300407  1
  Ni  Ni9  1  0.705024  0.457904  0.289874  1
  Ni  Ni10  1  0.442905  0.925779  0.300407  1
  Ni  Ni11  1  0.371691  0.457904  0.289874  1
  Ni  Ni12  1  0.038357  0.457904  0.289874  1
  Ni  Ni13  1  0.096136  0.134223  0.318779  1
  Ni  Ni14  1  0.762802  0.134223  0.318779  1
  Ni  Ni15  1  0.690584  0.659650  0.307311  1
  Ni  Ni16  1  0.429469  0.134223  0.318779  1
  Ni  Ni17  1  0.357251  0.659650  0.307311  1
  Ni  Ni18  1  0.023917  0.659650  0.307311  1
  Ni  Ni19  1  0.912988  0.871856  0.324995  1
  Ni  Ni20  1  0.579655  0.871856  0.324995  1
  Ni  Ni21  1  0.508897  0.398605  0.313042  1
  Ni  Ni22  1  0.246321  0.871856  0.324995  1
  Ni  Ni23  1  0.175564  0.398605  0.313042  1
  Ni  Ni24  1  0.842231  0.398605  0.313042  1
  Ni  Ni25  1  0.900092  0.077060  0.343612  1
  Ni  Ni26  1  0.566759  0.077060  0.343612  1
  Ni  Ni27  1  0.497190  0.605022  0.331895  1
  Ni  Ni28  1  0.233426  0.077060  0.343612  1
  Ni  Ni29  1  0.163857  0.605022  0.331895  1
  Ni  Ni30  1  0.830523  0.605022  0.331895  1
  Ni  Ni31  1  0.714789  0.812186  0.349005  1
  Ni  Ni32  1  0.381456  0.812186  0.349005  1
  Ni  Ni33  1  0.312838  0.341398  0.337792  1
  Ni  Ni34  1  0.048122  0.812186  0.349005  1
  Ni  Ni35  1  0.979504  0.341398  0.337792  1
  Ni  Ni36  1  0.646171  0.341398  0.337792  1
  Ni  Ni37  1  0.706097  0.020452  0.367735  1
  Ni  Ni38  1  0.372764  0.020452  0.367735  1
  Ni  Ni39  1  0.302377  0.546985  0.355626  1
  Ni  Ni40  1  0.039430  0.020452  0.367735  1
  Ni  Ni41  1  0.969044  0.546985  0.355626  1
  Ni  Ni42  1  0.635711  0.546985  0.355626  1
  Ni  Ni43  1  0.519375  0.756523  0.373823  1
  Ni  Ni44  1  0.186042  0.756523  0.373823  1
  Ni  Ni45  1  0.116189  0.283159  0.361424  1
  Ni  Ni46  1  0.852709  0.756523  0.373823  1
  Ni  Ni47  1  0.782856  0.283159  0.361424  1
  Ni  Ni48  1  0.449522  0.283159  0.361424  1
  Ni  Ni49  1  0.510675  0.963137  0.392220  1
  Ni  Ni50  1  0.177342  0.963137  0.392220  1
  Ni  Ni51  1  0.108372  0.491343  0.380337  1
  Ni  Ni52  1  0.844008  0.963137  0.392220  1
  Ni  Ni53  1  0.775039  0.491343  0.380337  1
  Ni  Ni54  1  0.441705  0.491343  0.380337  1
  Ni  Ni55  1  0.323981  0.699383  0.398198  1
  Ni  Ni56  1  0.990648  0.699383  0.398198  1
  Ni  Ni57  1  0.921379  0.227492  0.386323  1
  Ni  Ni58  1  0.657314  0.699383  0.398198  1
  Ni  Ni59  1  0.588046  0.227492  0.386323  1
  Ni  Ni60  1  0.254713  0.227492  0.386323  1
  Ni  Ni61  1  0.316045  0.907098  0.416700  1
  Ni  Ni62  1  0.982712  0.907098  0.416700  1
  Ni  Ni63  1  0.913217  0.434654  0.404514  1
  Ni  Ni64  1  0.649379  0.907098  0.416700  1
  Ni  Ni65  1  0.579883  0.434654  0.404514  1
  Ni  Ni66  1  0.246550  0.434654  0.404514  1
  Ni  Ni67  1  0.129055  0.643133  0.422791  1
  Ni  Ni68  1  0.795721  0.643133  0.422791  1
  Ni  Ni69  1  0.726252  0.170983  0.410589  1
  Ni  Ni70  1  0.462388  0.643133  0.422791  1
  Ni  Ni71  1  0.392919  0.170983  0.410589  1
  Ni  Ni72  1  0.059585  0.170983  0.410589  1
  Ni  Ni73  1  0.121012  0.850428  0.441129  1
  Ni  Ni74  1  0.787679  0.850428  0.441129  1
  Ni  Ni75  1  0.718504  0.378636  0.429100  1
  Ni  Ni76  1  0.454345  0.850428  0.441129  1
  Ni  Ni77  1  0.385171  0.378636  0.429100  1
  Ni  Ni78  1  0.051837  0.378636  0.429100  1
  Ni  Ni79  1  0.934061  0.586457  0.447198  1
  Ni  Ni80  1  0.600727  0.586457  0.447198  1
  Ni  Ni81  1  0.531362  0.114428  0.435097  1
  Ni  Ni82  1  0.267394  0.586457  0.447198  1
  Ni  Ni83  1  0.198029  0.114428  0.435097  1
  Ni  Ni84  1  0.864695  0.114428  0.435097  1
  Ni  Ni85  1  0.926205  0.794106  0.465613  1
  Ni  Ni86  1  0.592872  0.794106  0.465613  1
  Ni  Ni87  1  0.523578  0.322085  0.453443  1
  Ni  Ni88  1  0.259538  0.794106  0.465613  1
  Ni  Ni89  1  0.190245  0.322085  0.453443  1
  Ni  Ni90  1  0.856912  0.322085  0.453443  1
  Ni  Ni91  1  0.739191  0.530114  0.471714  1
  Ni  Ni92  1  0.405858  0.530114  0.471714  1
  Ni  Ni93  1  0.336506  0.058093  0.459532  1
  Ni  Ni94  1  0.072524  0.530114  0.471714  1
  Ni  Ni95  1  0.003173  0.058093  0.459532  1
  Ni  Ni96  1  0.669840  0.058093  0.459532  1
  Ni  Ni97  1  0.731279  0.737590  0.490051  1
  Ni  Ni98  1  0.397945  0.737590  0.490051  1
  Ni  Ni99  1  0.328674  0.265657  0.477911  1
  Ni  Ni100  1  0.064612  0.737590  0.490051  1
  Ni  Ni101  1  0.995340  0.265657  0.477911  1
  Ni  Ni102  1  0.662007  0.265657  0.477911  1
  Ni  Ni103  1  0.544238  0.473560  0.496141  1
  Ni  Ni104  1  0.210905  0.473560  0.496141  1
  Ni  Ni105  1  0.141599  1.001566  0.483976  1
  Ni  Ni106  1  0.877572  0.473560  0.496141  1
  Ni  Ni107  1  0.808266  1.001566  0.483976  1
  Ni  Ni108  1  0.474932  1.001566  0.483976  1
  Ni  Ni109  1  0.536448  0.681229  0.514523  1
  Ni  Ni110  1  0.203115  0.681229  0.514523  1
  Ni  Ni111  1  0.133809  0.209235  0.502358  1
  Ni  Ni112  1  0.869781  0.681229  0.514523  1
  Ni  Ni113  1  0.800475  0.209235  0.502358  1
  Ni  Ni114  1  0.467142  0.209235  0.502358  1
  Ni  Ni115  1  0.349374  0.417138  0.520588  1
  Ni  Ni116  1  0.016040  0.417138  0.520588  1
  Ni  Ni117  1  0.946769  0.945205  0.508448  1
  Ni  Ni118  1  0.682707  0.417138  0.520588  1
  Ni  Ni119  1  0.613435  0.945205  0.508448  1
  Ni  Ni120  1  0.280102  0.945205  0.508448  1
  Ni  Ni121  1  0.341541  0.624702  0.538967  1
  Ni  Ni122  1  0.008208  0.624702  0.538967  1
  Ni  Ni123  1  0.938856  0.152681  0.526785  1
  Ni  Ni124  1  0.674874  0.624702  0.538967  1
  Ni  Ni125  1  0.605523  0.152681  0.526785  1
  Ni  Ni126  1  0.272190  0.152681  0.526785  1
  Ni  Ni127  1  0.154469  0.360710  0.545056  1
  Ni  Ni128  1  0.821135  0.360710  0.545056  1
  Ni  Ni129  1  0.751842  0.888689  0.532886  1
  Ni  Ni130  1  0.487802  0.360710  0.545056  1
  Ni  Ni131  1  0.418509  0.888689  0.532886  1
  Ni  Ni132  1  0.085176  0.888689  0.532886  1
  Ni  Ni133  1  0.146685  0.568367  0.563403  1
  Ni  Ni134  1  0.813352  0.568367  0.563403  1
  Ni  Ni135  1  0.743986  0.096338  0.551301  1
  Ni  Ni136  1  0.480019  0.568367  0.563403  1
  Ni  Ni137  1  0.410653  0.096338  0.551301  1
  Ni  Ni138  1  0.077320  0.096338  0.551301  1
  Ni  Ni139  1  0.959543  0.304159  0.569399  1
  Ni  Ni140  1  0.626210  0.304159  0.569399  1
  Ni  Ni141  1  0.557035  0.832367  0.557370  1
  Ni  Ni142  1  0.292876  0.304159  0.569399  1
  Ni  Ni143  1  0.223702  0.832367  0.557370  1
  Ni  Ni144  1  0.890369  0.832367  0.557370  1
  Ni  Ni145  1  0.951795  0.511812  0.587910  1
  Ni  Ni146  1  0.618462  0.511812  0.587910  1
  Ni  Ni147  1  0.548993  0.039662  0.575708  1
  Ni  Ni148  1  0.285129  0.511812  0.587910  1
  Ni  Ni149  1  0.215659  0.039662  0.575708  1
  Ni  Ni150  1  0.882326  0.039662  0.575708  1
  Ni  Ni151  1  0.764831  0.248141  0.593985  1
  Ni  Ni152  1  0.431497  0.248141  0.593985  1
  Ni  Ni153  1  0.362002  0.775697  0.581799  1
  Ni  Ni154  1  0.098164  0.248141  0.593985  1
  Ni  Ni155  1  0.028668  0.775697  0.581799  1
  Ni  Ni156  1  0.695335  0.775697  0.581799  1
  Ni  Ni157  1  0.756668  0.455303  0.612176  1
  Ni  Ni158  1  0.423334  0.455303  0.612176  1
  Ni  Ni159  1  0.354066  0.983413  0.600301  1
  Ni  Ni160  1  0.090001  0.455303  0.612176  1
  Ni  Ni161  1  0.020733  0.983413  0.600301  1
  Ni  Ni162  1  0.687399  0.983413  0.600301  1
  Ni  Ni163  1  0.569675  0.191452  0.618162  1
  Ni  Ni164  1  0.236342  0.191452  0.618162  1
  Ni  Ni165  1  0.167372  0.719658  0.606279  1
  Ni  Ni166  1  0.903008  0.191452  0.618162  1
  Ni  Ni167  1  0.834039  0.719658  0.606279  1
  Ni  Ni168  1  0.500705  0.719658  0.606279  1
  Ni  Ni169  1  0.561858  0.399637  0.637075  1
  Ni  Ni170  1  0.228525  0.399637  0.637075  1
  Ni  Ni171  1  0.158672  0.926272  0.624676  1
  Ni  Ni172  1  0.895192  0.399637  0.637075  1
  Ni  Ni173  1  0.825339  0.926272  0.624676  1
  Ni  Ni174  1  0.492005  0.926272  0.624676  1
  Ni  Ni175  1  0.375670  0.135810  0.642873  1
  Ni  Ni176  1  0.042336  0.135810  0.642873  1
  Ni  Ni177  1  0.971950  0.662343  0.630764  1
  Ni  Ni178  1  0.709003  0.135810  0.642873  1
  Ni  Ni179  1  0.638617  0.662343  0.630764  1
  Ni  Ni180  1  0.305283  0.662343  0.630764  1
  Ni  Ni181  1  0.365209  0.341397  0.660707  1
  Ni  Ni182  1  0.031876  0.341397  0.660707  1
  Ni  Ni183  1  0.963258  0.870609  0.649494  1
  Ni  Ni184  1  0.698543  0.341397  0.660707  1
  Ni  Ni185  1  0.629925  0.870609  0.649494  1
  Ni  Ni186  1  0.296592  0.870609  0.649494  1
  Ni  Ni187  1  0.180857  0.077774  0.666604  1
  Ni  Ni188  1  0.847524  0.077774  0.666604  1
  Ni  Ni189  1  0.777955  0.605735  0.654887  1
  Ni  Ni190  1  0.514191  0.077774  0.666604  1
  Ni  Ni191  1  0.444621  0.605735  0.654887  1
  Ni  Ni192  1  0.111288  0.605735  0.654887  1
  Ni  Ni193  1  0.169150  0.284190  0.685457  1
  Ni  Ni194  1  0.835816  0.284190  0.685457  1
  Ni  Ni195  1  0.765059  0.810940  0.673504  1
  Ni  Ni196  1  0.502483  0.284190  0.685457  1
  Ni  Ni197  1  0.431726  0.810940  0.673504  1
  Ni  Ni198  1  0.098392  0.810940  0.673504  1
  Ni  Ni199  1  0.987463  0.023145  0.691188  1
  Ni  Ni200  1  0.654130  0.023145  0.691188  1
  Ni  Ni201  1  0.581911  0.548572  0.679720  1
  Ni  Ni202  1  0.320797  0.023145  0.691188  1
  Ni  Ni203  1  0.248578  0.548572  0.679720  1
  Ni  Ni204  1  0.915245  0.548572  0.679720  1
  Ni  Ni205  1  0.973023  0.224891  0.708625  1
  Ni  Ni206  1  0.639690  0.224891  0.708625  1
  Ni  Ni207  1  0.568476  0.757016  0.698093  1
  Ni  Ni208  1  0.306356  0.224891  0.708625  1
  Ni  Ni209  1  0.235143  0.757016  0.698093  1
  Ni  Ni210  1  0.901809  0.757016  0.698093  1
  Ni  Ni211  1  0.788961  0.962235  0.714157  1
  Ni  Ni212  1  0.455628  0.962235  0.714157  1
  Ni  Ni213  1  0.385048  0.488289  0.702624  1
  Ni  Ni214  1  0.122295  0.962235  0.714157  1
  Ni  Ni215  1  0.051715  0.488289  0.702624  1
  Ni  Ni216  1  0.718381  0.488289  0.702624  1
