# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.78711678
_cell_length_b   11.09865236
_cell_length_c   46.61786540
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.15542064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5409.19336172
_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  0.303559  0.210521  0.295291  1
  Ni  Ni2  1  0.970226  0.210521  0.295291  1
  Ni  Ni3  1  0.900660  0.734138  0.284362  1
  Ni  Ni4  1  0.636893  0.210521  0.295291  1
  Ni  Ni5  1  0.567327  0.734138  0.284362  1
  Ni  Ni6  1  0.233994  0.734138  0.284362  1
  Ni  Ni7  1  0.117741  0.945545  0.300069  1
  Ni  Ni8  1  0.784408  0.945545  0.300069  1
  Ni  Ni9  1  0.713331  0.473240  0.289510  1
  Ni  Ni10  1  0.451075  0.945545  0.300069  1
  Ni  Ni11  1  0.379998  0.473240  0.289510  1
  Ni  Ni12  1  0.046664  0.473240  0.289510  1
  Ni  Ni13  1  0.107391  0.152580  0.316670  1
  Ni  Ni14  1  0.774057  0.152580  0.316670  1
  Ni  Ni15  1  0.705667  0.680307  0.305728  1
  Ni  Ni16  1  0.440724  0.152580  0.316670  1
  Ni  Ni17  1  0.372334  0.680307  0.305728  1
  Ni  Ni18  1  0.039001  0.680307  0.305728  1
  Ni  Ni19  1  0.922596  0.891850  0.323415  1
  Ni  Ni20  1  0.589263  0.891850  0.323415  1
  Ni  Ni21  1  0.519414  0.417728  0.311057  1
  Ni  Ni22  1  0.255929  0.891850  0.323415  1
  Ni  Ni23  1  0.186081  0.417728  0.311057  1
  Ni  Ni24  1  0.852748  0.417728  0.311057  1
  Ni  Ni25  1  0.913666  0.098091  0.342561  1
  Ni  Ni26  1  0.580333  0.098091  0.342561  1
  Ni  Ni27  1  0.511116  0.624025  0.331108  1
  Ni  Ni28  1  0.246999  0.098091  0.342561  1
  Ni  Ni29  1  0.177782  0.624025  0.331108  1
  Ni  Ni30  1  0.844449  0.624025  0.331108  1
  Ni  Ni31  1  0.727136  0.834546  0.348053  1
  Ni  Ni32  1  0.393803  0.834546  0.348053  1
  Ni  Ni33  1  0.323154  0.360825  0.336695  1
  Ni  Ni34  1  0.060470  0.834546  0.348053  1
  Ni  Ni35  1  0.989821  0.360825  0.336695  1
  Ni  Ni36  1  0.656488  0.360825  0.336695  1
  Ni  Ni37  1  0.720435  0.044438  0.366246  1
  Ni  Ni38  1  0.387101  0.044438  0.366246  1
  Ni  Ni39  1  0.317199  0.570336  0.354354  1
  Ni  Ni40  1  0.053768  0.044438  0.366246  1
  Ni  Ni41  1  0.983865  0.570336  0.354354  1
  Ni  Ni42  1  0.650532  0.570336  0.354354  1
  Ni  Ni43  1  0.533683  0.781053  0.372441  1
  Ni  Ni44  1  0.200350  0.781053  0.372441  1
  Ni  Ni45  1  0.129778  0.307000  0.360052  1
  Ni  Ni46  1  0.867016  0.781053  0.372441  1
  Ni  Ni47  1  0.796445  0.307000  0.360052  1
  Ni  Ni48  1  0.463111  0.307000  0.360052  1
  Ni  Ni49  1  0.525529  0.988555  0.391023  1
  Ni  Ni50  1  0.192195  0.988555  0.391023  1
  Ni  Ni51  1  0.122786  0.515599  0.379187  1
  Ni  Ni52  1  0.858862  0.988555  0.391023  1
  Ni  Ni53  1  0.789453  0.515599  0.379187  1
  Ni  Ni54  1  0.456119  0.515599  0.379187  1
  Ni  Ni55  1  0.339144  0.725120  0.397004  1
  Ni  Ni56  1  1.005811  0.725120  0.397004  1
  Ni  Ni57  1  0.935855  0.252269  0.385100  1
  Ni  Ni58  1  0.672477  0.725120  0.397004  1
  Ni  Ni59  1  0.602522  0.252269  0.385100  1
  Ni  Ni60  1  0.269189  0.252269  0.385100  1
  Ni  Ni61  1  0.331711  0.934281  0.415374  1
  Ni  Ni62  1  0.998377  0.934281  0.415374  1
  Ni  Ni63  1  0.928478  0.460963  0.403290  1
  Ni  Ni64  1  0.665044  0.934281  0.415374  1
  Ni  Ni65  1  0.595145  0.460963  0.403290  1
  Ni  Ni66  1  0.261811  0.460963  0.403290  1
  Ni  Ni67  1  0.145197  0.670725  0.421522  1
  Ni  Ni68  1  0.811864  0.670725  0.421522  1
  Ni  Ni69  1  0.741928  0.197711  0.409282  1
  Ni  Ni70  1  0.478530  0.670725  0.421522  1
  Ni  Ni71  1  0.408595  0.197711  0.409282  1
  Ni  Ni72  1  0.075261  0.197711  0.409282  1
  Ni  Ni73  1  0.137473  0.879283  0.439937  1
  Ni  Ni74  1  0.804140  0.879283  0.439937  1
  Ni  Ni75  1  0.734489  0.406475  0.427898  1
  Ni  Ni76  1  0.470807  0.879283  0.439937  1
  Ni  Ni77  1  0.401155  0.406475  0.427898  1
  Ni  Ni78  1  0.067822  0.406475  0.427898  1
  Ni  Ni79  1  0.951043  0.615705  0.446010  1
  Ni  Ni80  1  0.617709  0.615705  0.446010  1
  Ni  Ni81  1  0.547865  0.142826  0.433898  1
  Ni  Ni82  1  0.284376  0.615705  0.446010  1
  Ni  Ni83  1  0.214532  0.142826  0.433898  1
  Ni  Ni84  1  0.881199  0.142826  0.433898  1
  Ni  Ni85  1  0.943501  0.824674  0.464390  1
  Ni  Ni86  1  0.610168  0.824674  0.464390  1
  Ni  Ni87  1  0.540396  0.351750  0.452247  1
  Ni  Ni88  1  0.276835  0.824674  0.464390  1
  Ni  Ni89  1  0.207063  0.351750  0.452247  1
  Ni  Ni90  1  0.873729  0.351750  0.452247  1
  Ni  Ni91  1  0.757013  0.561074  0.470508  1
  Ni  Ni92  1  0.423680  0.561074  0.470508  1
  Ni  Ni93  1  0.353894  0.088214  0.458304  1
  Ni  Ni94  1  0.090347  0.561074  0.470508  1
  Ni  Ni95  1  0.020561  0.088214  0.458304  1
  Ni  Ni96  1  0.687228  0.088214  0.458304  1
  Ni  Ni97  1  0.749407  0.769860  0.488900  1
  Ni  Ni98  1  0.416073  0.769860  0.488900  1
  Ni  Ni99  1  0.346348  0.297043  0.476748  1
  Ni  Ni100  1  0.082740  0.769860  0.488900  1
  Ni  Ni101  1  0.013014  0.297043  0.476748  1
  Ni  Ni102  1  0.679681  0.297043  0.476748  1
  Ni  Ni103  1  0.562929  0.506260  0.494985  1
  Ni  Ni104  1  0.229596  0.506260  0.494985  1
  Ni  Ni105  1  0.159829  0.033416  0.482823  1
  Ni  Ni106  1  0.896263  0.506260  0.494985  1
  Ni  Ni107  1  0.826496  0.033416  0.482823  1
  Ni  Ni108  1  0.493162  0.033416  0.482823  1
  Ni  Ni109  1  0.555409  0.715197  0.513360  1
  Ni  Ni110  1  0.222075  0.715197  0.513360  1
  Ni  Ni111  1  0.152308  0.242352  0.501197  1
  Ni  Ni112  1  0.888742  0.715197  0.513360  1
  Ni  Ni113  1  0.818975  0.242352  0.501197  1
  Ni  Ni114  1  0.485642  0.242352  0.501197  1
  Ni  Ni115  1  0.368890  0.451569  0.519434  1
  Ni  Ni116  1  0.035557  0.451569  0.519434  1
  Ni  Ni117  1  0.965831  0.978753  0.507282  1
  Ni  Ni118  1  0.702223  0.451569  0.519434  1
  Ni  Ni119  1  0.632498  0.978753  0.507282  1
  Ni  Ni120  1  0.299165  0.978753  0.507282  1
  Ni  Ni121  1  0.361343  0.660399  0.537878  1
  Ni  Ni122  1  0.028010  0.660399  0.537878  1
  Ni  Ni123  1  0.958225  0.187539  0.525674  1
  Ni  Ni124  1  0.694677  0.660399  0.537878  1
  Ni  Ni125  1  0.624891  0.187539  0.525674  1
  Ni  Ni126  1  0.291558  0.187539  0.525674  1
  Ni  Ni127  1  0.174842  0.396862  0.543935  1
  Ni  Ni128  1  0.841508  0.396862  0.543935  1
  Ni  Ni129  1  0.771736  0.923939  0.531792  1
  Ni  Ni130  1  0.508175  0.396862  0.543935  1
  Ni  Ni131  1  0.438403  0.923939  0.531792  1
  Ni  Ni132  1  0.105070  0.923939  0.531792  1
  Ni  Ni133  1  0.167372  0.605786  0.562284  1
  Ni  Ni134  1  0.834039  0.605786  0.562284  1
  Ni  Ni135  1  0.764195  0.132908  0.550172  1
  Ni  Ni136  1  0.500706  0.605786  0.562284  1
  Ni  Ni137  1  0.430862  0.132908  0.550172  1
  Ni  Ni138  1  0.097529  0.132908  0.550172  1
  Ni  Ni139  1  0.980749  0.342138  0.568284  1
  Ni  Ni140  1  0.647416  0.342138  0.568284  1
  Ni  Ni141  1  0.577764  0.869330  0.556245  1
  Ni  Ni142  1  0.314083  0.342138  0.568284  1
  Ni  Ni143  1  0.244431  0.869330  0.556245  1
  Ni  Ni144  1  0.911098  0.869330  0.556245  1
  Ni  Ni145  1  0.973310  0.550902  0.586900  1
  Ni  Ni146  1  0.639977  0.550902  0.586900  1
  Ni  Ni147  1  0.570041  0.077887  0.574661  1
  Ni  Ni148  1  0.306643  0.550902  0.586900  1
  Ni  Ni149  1  0.236708  0.077887  0.574661  1
  Ni  Ni150  1  0.903374  0.077887  0.574661  1
  Ni  Ni151  1  0.786760  0.287649  0.592892  1
  Ni  Ni152  1  0.453427  0.287649  0.592892  1
  Ni  Ni153  1  0.383527  0.814332  0.580808  1
  Ni  Ni154  1  0.120093  0.287649  0.592892  1
  Ni  Ni155  1  0.050194  0.814332  0.580808  1
  Ni  Ni156  1  0.716861  0.814332  0.580808  1
  Ni  Ni157  1  0.779382  0.496343  0.611082  1
  Ni  Ni158  1  0.446049  0.496343  0.611082  1
  Ni  Ni159  1  0.376094  0.023492  0.599178  1
  Ni  Ni160  1  0.112716  0.496343  0.611082  1
  Ni  Ni161  1  0.042760  0.023492  0.599178  1
  Ni  Ni162  1  0.709427  0.023492  0.599178  1
  Ni  Ni163  1  0.592452  0.233013  0.616996  1
  Ni  Ni164  1  0.259118  0.233013  0.616996  1
  Ni  Ni165  1  0.189709  0.760057  0.605159  1
  Ni  Ni166  1  0.925785  0.233013  0.616996  1
  Ni  Ni167  1  0.856376  0.760057  0.605159  1
  Ni  Ni168  1  0.523042  0.760057  0.605159  1
  Ni  Ni169  1  0.585460  0.441613  0.636131  1
  Ni  Ni170  1  0.252126  0.441613  0.636131  1
  Ni  Ni171  1  0.181555  0.967560  0.623741  1
  Ni  Ni172  1  0.918793  0.441613  0.636131  1
  Ni  Ni173  1  0.848222  0.967560  0.623741  1
  Ni  Ni174  1  0.514888  0.967560  0.623741  1
  Ni  Ni175  1  0.398039  0.178276  0.641829  1
  Ni  Ni176  1  0.064706  0.178276  0.641829  1
  Ni  Ni177  1  0.994803  0.704174  0.629936  1
  Ni  Ni178  1  0.731372  0.178276  0.641829  1
  Ni  Ni179  1  0.661470  0.704174  0.629936  1
  Ni  Ni180  1  0.328137  0.704174  0.629936  1
  Ni  Ni181  1  0.392083  0.387787  0.659488  1
  Ni  Ni182  1  0.058750  0.387787  0.659488  1
  Ni  Ni183  1  0.988102  0.914066  0.648129  1
  Ni  Ni184  1  0.725417  0.387787  0.659488  1
  Ni  Ni185  1  0.654768  0.914066  0.648129  1
  Ni  Ni186  1  0.321435  0.914066  0.648129  1
  Ni  Ni187  1  0.204122  0.124587  0.665075  1
  Ni  Ni188  1  0.870789  0.124587  0.665075  1
  Ni  Ni189  1  0.801572  0.650521  0.653621  1
  Ni  Ni190  1  0.537456  0.124587  0.665075  1
  Ni  Ni191  1  0.468239  0.650521  0.653621  1
  Ni  Ni192  1  0.134905  0.650521  0.653621  1
  Ni  Ni193  1  0.195823  0.330885  0.685126  1
  Ni  Ni194  1  0.862490  0.330885  0.685126  1
  Ni  Ni195  1  0.792642  0.856762  0.672767  1
  Ni  Ni196  1  0.529157  0.330885  0.685126  1
  Ni  Ni197  1  0.459308  0.856762  0.672767  1
  Ni  Ni198  1  0.125975  0.856762  0.672767  1
  Ni  Ni199  1  0.009571  0.068306  0.690455  1
  Ni  Ni200  1  0.676237  0.068306  0.690455  1
  Ni  Ni201  1  0.607847  0.596032  0.679512  1
  Ni  Ni202  1  0.342904  0.068306  0.690455  1
  Ni  Ni203  1  0.274514  0.596032  0.679512  1
  Ni  Ni204  1  0.941181  0.596032  0.679512  1
  Ni  Ni205  1  1.001907  0.275372  0.706672  1
  Ni  Ni206  1  0.668574  0.275372  0.706672  1
  Ni  Ni207  1  0.597496  0.803068  0.696114  1
  Ni  Ni208  1  0.335240  0.275372  0.706672  1
  Ni  Ni209  1  0.264163  0.803068  0.696114  1
  Ni  Ni210  1  0.930830  0.803068  0.696114  1
  Ni  Ni211  1  0.814578  0.014474  0.711820  1
  Ni  Ni212  1  0.481244  0.014474  0.711820  1
  Ni  Ni213  1  0.411678  0.538091  0.700891  1
  Ni  Ni214  1  0.147911  0.014474  0.711820  1
  Ni  Ni215  1  0.078345  0.538091  0.700891  1
  Ni  Ni216  1  0.745012  0.538091  0.700891  1
