# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.85148056
_cell_length_b   10.99987761
_cell_length_c   46.56927468
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.73341714
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5343.90915363
_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  0.287990  0.176116  0.292550  1
  Ni  Ni2  1  0.954656  0.176116  0.292550  1
  Ni  Ni3  1  0.882443  0.707917  0.281461  1
  Ni  Ni4  1  0.621323  0.176116  0.292550  1
  Ni  Ni5  1  0.549110  0.707917  0.281461  1
  Ni  Ni6  1  0.215776  0.707917  0.281461  1
  Ni  Ni7  1  0.099561  0.913903  0.298476  1
  Ni  Ni8  1  0.766228  0.913903  0.298476  1
  Ni  Ni9  1  0.692357  0.440265  0.286964  1
  Ni  Ni10  1  0.432895  0.913903  0.298476  1
  Ni  Ni11  1  0.359024  0.440265  0.286964  1
  Ni  Ni12  1  0.025690  0.440265  0.286964  1
  Ni  Ni13  1  0.091789  0.120514  0.317013  1
  Ni  Ni14  1  0.758456  0.120514  0.317013  1
  Ni  Ni15  1  0.686715  0.648770  0.305565  1
  Ni  Ni16  1  0.425123  0.120514  0.317013  1
  Ni  Ni17  1  0.353381  0.648770  0.305565  1
  Ni  Ni18  1  0.020048  0.648770  0.305565  1
  Ni  Ni19  1  0.903514  0.858002  0.323690  1
  Ni  Ni20  1  0.570180  0.858002  0.323690  1
  Ni  Ni21  1  0.499499  0.385152  0.311417  1
  Ni  Ni22  1  0.236847  0.858002  0.323690  1
  Ni  Ni23  1  0.166165  0.385152  0.311417  1
  Ni  Ni24  1  0.832832  0.385152  0.311417  1
  Ni  Ni25  1  0.896225  0.064098  0.342162  1
  Ni  Ni26  1  0.562892  0.064098  0.342162  1
  Ni  Ni27  1  0.492280  0.591663  0.330357  1
  Ni  Ni28  1  0.229558  0.064098  0.342162  1
  Ni  Ni29  1  0.158947  0.591663  0.330357  1
  Ni  Ni30  1  0.825614  0.591663  0.330357  1
  Ni  Ni31  1  0.707899  0.800063  0.348183  1
  Ni  Ni32  1  0.374566  0.800063  0.348183  1
  Ni  Ni33  1  0.304317  0.327462  0.336202  1
  Ni  Ni34  1  0.041232  0.800063  0.348183  1
  Ni  Ni35  1  0.970984  0.327462  0.336202  1
  Ni  Ni36  1  0.637650  0.327462  0.336202  1
  Ni  Ni37  1  0.700887  0.007433  0.366364  1
  Ni  Ni38  1  0.367554  0.007433  0.366364  1
  Ni  Ni39  1  0.297556  0.535442  0.354399  1
  Ni  Ni40  1  0.034220  0.007433  0.366364  1
  Ni  Ni41  1  0.964223  0.535442  0.354399  1
  Ni  Ni42  1  0.630890  0.535442  0.354399  1
  Ni  Ni43  1  0.512847  0.743014  0.372459  1
  Ni  Ni44  1  0.179514  0.743014  0.372459  1
  Ni  Ni45  1  0.109997  0.271188  0.360326  1
  Ni  Ni46  1  0.846180  0.743014  0.372459  1
  Ni  Ni47  1  0.776663  0.271188  0.360326  1
  Ni  Ni48  1  0.443330  0.271188  0.360326  1
  Ni  Ni49  1  0.504934  0.949540  0.390794  1
  Ni  Ni50  1  0.171601  0.949540  0.390794  1
  Ni  Ni51  1  0.102116  0.478024  0.378782  1
  Ni  Ni52  1  0.838268  0.949540  0.390794  1
  Ni  Ni53  1  0.768782  0.478024  0.378782  1
  Ni  Ni54  1  0.435449  0.478024  0.378782  1
  Ni  Ni55  1  0.317359  0.685266  0.396903  1
  Ni  Ni56  1  0.984025  0.685266  0.396903  1
  Ni  Ni57  1  0.914881  0.213776  0.384786  1
  Ni  Ni58  1  0.650692  0.685266  0.396903  1
  Ni  Ni59  1  0.581548  0.213776  0.384786  1
  Ni  Ni60  1  0.248215  0.213776  0.384786  1
  Ni  Ni61  1  0.309433  0.892183  0.415150  1
  Ni  Ni62  1  0.976099  0.892183  0.415150  1
  Ni  Ni63  1  0.906792  0.420701  0.403070  1
  Ni  Ni64  1  0.642766  0.892183  0.415150  1
  Ni  Ni65  1  0.573458  0.420701  0.403070  1
  Ni  Ni66  1  0.240125  0.420701  0.403070  1
  Ni  Ni67  1  0.122015  0.627913  0.421278  1
  Ni  Ni68  1  0.788682  0.627913  0.421278  1
  Ni  Ni69  1  0.719600  0.156417  0.409100  1
  Ni  Ni70  1  0.455349  0.627913  0.421278  1
  Ni  Ni71  1  0.386267  0.156417  0.409100  1
  Ni  Ni72  1  0.052933  0.156417  0.409100  1
  Ni  Ni73  1  0.113980  0.834765  0.439560  1
  Ni  Ni74  1  0.780647  0.834765  0.439560  1
  Ni  Ni75  1  0.711493  0.363355  0.427445  1
  Ni  Ni76  1  0.447313  0.834765  0.439560  1
  Ni  Ni77  1  0.378159  0.363355  0.427445  1
  Ni  Ni78  1  0.044826  0.363355  0.427445  1
  Ni  Ni79  1  0.926624  0.570435  0.445667  1
  Ni  Ni80  1  0.593291  0.570435  0.445667  1
  Ni  Ni81  1  0.524252  0.099005  0.433492  1
  Ni  Ni82  1  0.259958  0.570435  0.445667  1
  Ni  Ni83  1  0.190919  0.099005  0.433492  1
  Ni  Ni84  1  0.857586  0.099005  0.433492  1
  Ni  Ni85  1  0.918587  0.777375  0.463941  1
  Ni  Ni86  1  0.585253  0.777375  0.463941  1
  Ni  Ni87  1  0.516157  0.305965  0.451793  1
  Ni  Ni88  1  0.251920  0.777375  0.463941  1
  Ni  Ni89  1  0.182823  0.305965  0.451793  1
  Ni  Ni90  1  0.849490  0.305965  0.451793  1
  Ni  Ni91  1  0.731264  0.513042  0.470045  1
  Ni  Ni92  1  0.397931  0.513042  0.470045  1
  Ni  Ni93  1  0.328912  0.041641  0.457861  1
  Ni  Ni94  1  0.064598  0.513042  0.470045  1
  Ni  Ni95  1  0.995579  0.041641  0.457861  1
  Ni  Ni96  1  0.662245  0.041641  0.457861  1
  Ni  Ni97  1  0.723200  0.719972  0.488330  1
  Ni  Ni98  1  0.389867  0.719972  0.488330  1
  Ni  Ni99  1  0.320823  0.248590  0.476166  1
  Ni  Ni100  1  0.056534  0.719972  0.488330  1
  Ni  Ni101  1  0.987489  0.248590  0.476166  1
  Ni  Ni102  1  0.654156  0.248590  0.476166  1
  Ni  Ni103  1  0.535906  0.455636  0.494421  1
  Ni  Ni104  1  0.202573  0.455636  0.494421  1
  Ni  Ni105  1  0.133549  0.984257  0.482247  1
  Ni  Ni106  1  0.869239  0.455636  0.494421  1
  Ni  Ni107  1  0.800215  0.984257  0.482247  1
  Ni  Ni108  1  0.466882  0.984257  0.482247  1
  Ni  Ni109  1  0.527832  0.662585  0.512710  1
  Ni  Ni110  1  0.194499  0.662585  0.512710  1
  Ni  Ni111  1  0.125475  0.191206  0.500536  1
  Ni  Ni112  1  0.861166  0.662585  0.512710  1
  Ni  Ni113  1  0.792142  0.191206  0.500536  1
  Ni  Ni114  1  0.458809  0.191206  0.500536  1
  Ni  Ni115  1  0.340559  0.398252  0.518791  1
  Ni  Ni116  1  0.007225  0.398252  0.518791  1
  Ni  Ni117  1  0.938181  0.926870  0.506627  1
  Ni  Ni118  1  0.673892  0.398252  0.518791  1
  Ni  Ni119  1  0.604848  0.926870  0.506627  1
  Ni  Ni120  1  0.271514  0.926870  0.506627  1
  Ni  Ni121  1  0.332469  0.605201  0.537096  1
  Ni  Ni122  1  0.999136  0.605201  0.537096  1
  Ni  Ni123  1  0.930117  0.133800  0.524912  1
  Ni  Ni124  1  0.665803  0.605201  0.537096  1
  Ni  Ni125  1  0.596784  0.133800  0.524912  1
  Ni  Ni126  1  0.263450  0.133800  0.524912  1
  Ni  Ni127  1  0.145224  0.340877  0.543164  1
  Ni  Ni128  1  0.811891  0.340877  0.543164  1
  Ni  Ni129  1  0.742795  0.869467  0.531016  1
  Ni  Ni130  1  0.478558  0.340877  0.543164  1
  Ni  Ni131  1  0.409461  0.869467  0.531016  1
  Ni  Ni132  1  0.076128  0.869467  0.531016  1
  Ni  Ni133  1  0.137129  0.547837  0.561465  1
  Ni  Ni134  1  0.803795  0.547837  0.561465  1
  Ni  Ni135  1  0.734757  0.076407  0.549290  1
  Ni  Ni136  1  0.470462  0.547837  0.561465  1
  Ni  Ni137  1  0.401424  0.076407  0.549290  1
  Ni  Ni138  1  0.068090  0.076407  0.549290  1
  Ni  Ni139  1  0.949889  0.283487  0.567512  1
  Ni  Ni140  1  0.616555  0.283487  0.567512  1
  Ni  Ni141  1  0.547401  0.812077  0.555397  1
  Ni  Ni142  1  0.283222  0.283487  0.567512  1
  Ni  Ni143  1  0.214068  0.812077  0.555397  1
  Ni  Ni144  1  0.880734  0.812077  0.555397  1
  Ni  Ni145  1  0.941781  0.490425  0.585857  1
  Ni  Ni146  1  0.608448  0.490425  0.585857  1
  Ni  Ni147  1  0.539366  0.018929  0.573679  1
  Ni  Ni148  1  0.275115  0.490425  0.585857  1
  Ni  Ni149  1  0.206032  0.018929  0.573679  1
  Ni  Ni150  1  0.872699  0.018929  0.573679  1
  Ni  Ni151  1  0.754590  0.226141  0.591887  1
  Ni  Ni152  1  0.421256  0.226141  0.591887  1
  Ni  Ni153  1  0.351949  0.754659  0.579807  1
  Ni  Ni154  1  0.087923  0.226141  0.591887  1
  Ni  Ni155  1  0.018615  0.754659  0.579807  1
  Ni  Ni156  1  0.685282  0.754659  0.579807  1
  Ni  Ni157  1  0.746500  0.433066  0.610171  1
  Ni  Ni158  1  0.413166  0.433066  0.610171  1
  Ni  Ni159  1  0.344022  0.961576  0.598054  1
  Ni  Ni160  1  0.079833  0.433066  0.610171  1
  Ni  Ni161  1  0.010689  0.961576  0.598054  1
  Ni  Ni162  1  0.677356  0.961576  0.598054  1
  Ni  Ni163  1  0.559266  0.168818  0.616175  1
  Ni  Ni164  1  0.225932  0.168818  0.616175  1
  Ni  Ni165  1  0.156447  0.697301  0.604163  1
  Ni  Ni166  1  0.892599  0.168818  0.616175  1
  Ni  Ni167  1  0.823113  0.697301  0.604163  1
  Ni  Ni168  1  0.489780  0.697301  0.604163  1
  Ni  Ni169  1  0.551384  0.375654  0.634631  1
  Ni  Ni170  1  0.218051  0.375654  0.634631  1
  Ni  Ni171  1  0.148534  0.903828  0.622498  1
  Ni  Ni172  1  0.884718  0.375654  0.634631  1
  Ni  Ni173  1  0.815201  0.903828  0.622498  1
  Ni  Ni174  1  0.481868  0.903828  0.622498  1
  Ni  Ni175  1  0.363825  0.111400  0.640558  1
  Ni  Ni176  1  0.030492  0.111400  0.640558  1
  Ni  Ni177  1  0.960494  0.639409  0.628593  1
  Ni  Ni178  1  0.697158  0.111400  0.640558  1
  Ni  Ni179  1  0.627161  0.639409  0.628593  1
  Ni  Ni180  1  0.293827  0.639409  0.628593  1
  Ni  Ni181  1  0.357064  0.319380  0.658755  1
  Ni  Ni182  1  0.023731  0.319380  0.658755  1
  Ni  Ni183  1  0.953482  0.846779  0.646774  1
  Ni  Ni184  1  0.690398  0.319380  0.658755  1
  Ni  Ni185  1  0.620149  0.846779  0.646774  1
  Ni  Ni186  1  0.286816  0.846779  0.646774  1
  Ni  Ni187  1  0.169101  0.055179  0.664600  1
  Ni  Ni188  1  0.835768  0.055179  0.664600  1
  Ni  Ni189  1  0.765156  0.582744  0.652795  1
  Ni  Ni190  1  0.502434  0.055179  0.664600  1
  Ni  Ni191  1  0.431823  0.582744  0.652795  1
  Ni  Ni192  1  0.098490  0.582744  0.652795  1
  Ni  Ni193  1  0.161883  0.261690  0.683540  1
  Ni  Ni194  1  0.828549  0.261690  0.683540  1
  Ni  Ni195  1  0.757868  0.788840  0.671267  1
  Ni  Ni196  1  0.495216  0.261690  0.683540  1
  Ni  Ni197  1  0.424534  0.788840  0.671267  1
  Ni  Ni198  1  0.091201  0.788840  0.671267  1
  Ni  Ni199  1  0.974667  0.998072  0.689392  1
  Ni  Ni200  1  0.641333  0.998072  0.689392  1
  Ni  Ni201  1  0.569592  0.526328  0.677944  1
  Ni  Ni202  1  0.308000  0.998072  0.689392  1
  Ni  Ni203  1  0.236259  0.526328  0.677944  1
  Ni  Ni204  1  0.902925  0.526328  0.677944  1
  Ni  Ni205  1  0.969024  0.206577  0.707993  1
  Ni  Ni206  1  0.635691  0.206577  0.707993  1
  Ni  Ni207  1  0.561820  0.732939  0.696481  1
  Ni  Ni208  1  0.302358  0.206577  0.707993  1
  Ni  Ni209  1  0.228487  0.732939  0.696481  1
  Ni  Ni210  1  0.895153  0.732939  0.696481  1
  Ni  Ni211  1  0.778938  0.938925  0.713496  1
  Ni  Ni212  1  0.445605  0.938925  0.713496  1
  Ni  Ni213  1  0.373391  0.470726  0.702407  1
  Ni  Ni214  1  0.112272  0.938925  0.713496  1
  Ni  Ni215  1  0.040058  0.470726  0.702407  1
  Ni  Ni216  1  0.706725  0.470726  0.702407  1
