# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90856845
_cell_length_b   12.27316175
_cell_length_c   47.87032868
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.96159538
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5182.5386853
_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  0.872081  0.571855  0.308829  1
  Ni  Ni2  1  0.205414  0.238522  0.308829  1
  Ni  Ni3  1  0.323944  0.586362  0.284789  1
  Ni  Ni4  1  0.538747  0.905188  0.308829  1
  Ni  Ni5  1  0.657277  0.253029  0.284789  1
  Ni  Ni6  1  0.598613  0.578154  0.296571  1
  Ni  Ni7  1  0.990611  0.919696  0.284789  1
  Ni  Ni8  1  0.931947  0.244821  0.296571  1
  Ni  Ni9  1  0.265280  0.911488  0.296571  1
  Ni  Ni10  1  0.999349  0.737658  0.306323  1
  Ni  Ni11  1  0.332683  0.404325  0.306323  1
  Ni  Ni12  1  0.450630  0.753419  0.282690  1
  Ni  Ni13  1  0.666016  0.070991  0.306323  1
  Ni  Ni14  1  0.783963  0.420085  0.282690  1
  Ni  Ni15  1  0.725061  0.747869  0.294424  1
  Ni  Ni16  1  0.117296  0.086752  0.282690  1
  Ni  Ni17  1  0.058395  0.414536  0.294424  1
  Ni  Ni18  1  0.391728  0.081202  0.294424  1
  Ni  Ni19  1  0.684940  0.550414  0.345508  1
  Ni  Ni20  1  0.018274  0.217081  0.345508  1
  Ni  Ni21  1  0.143089  0.563474  0.321731  1
  Ni  Ni22  1  0.351607  0.883747  0.345508  1
  Ni  Ni23  1  0.476422  0.230141  0.321731  1
  Ni  Ni24  1  0.413423  0.557958  0.333574  1
  Ni  Ni25  1  0.809756  0.896808  0.321731  1
  Ni  Ni26  1  0.746756  0.224625  0.333574  1
  Ni  Ni27  1  0.080089  0.891292  0.333574  1
  Ni  Ni28  1  0.807047  0.717651  0.343497  1
  Ni  Ni29  1  0.140381  0.384318  0.343497  1
  Ni  Ni30  1  0.265314  0.733047  0.319441  1
  Ni  Ni31  1  0.473714  0.050984  0.343497  1
  Ni  Ni32  1  0.598647  0.399714  0.319441  1
  Ni  Ni33  1  0.536399  0.725120  0.331274  1
  Ni  Ni34  1  0.931980  0.066380  0.319441  1
  Ni  Ni35  1  0.869733  0.391787  0.331274  1
  Ni  Ni36  1  0.203066  0.058454  0.331274  1
  Ni  Ni37  1  0.496490  0.528570  0.382706  1
  Ni  Ni38  1  0.829824  0.195237  0.382706  1
  Ni  Ni39  1  0.954967  0.542679  0.357972  1
  Ni  Ni40  1  0.163157  0.861904  0.382706  1
  Ni  Ni41  1  0.288300  0.209346  0.357972  1
  Ni  Ni42  1  0.225541  0.535882  0.370472  1
  Ni  Ni43  1  0.621634  0.876012  0.357972  1
  Ni  Ni44  1  0.558875  0.202549  0.370472  1
  Ni  Ni45  1  0.892208  0.869216  0.370472  1
  Ni  Ni46  1  0.618671  0.696323  0.380548  1
  Ni  Ni47  1  0.952005  0.362990  0.380548  1
  Ni  Ni48  1  0.076326  0.711198  0.355945  1
  Ni  Ni49  1  0.285338  0.029657  0.380548  1
  Ni  Ni50  1  0.409659  0.377864  0.355945  1
  Ni  Ni51  1  0.347671  0.703927  0.368299  1
  Ni  Ni52  1  0.742993  0.044531  0.355945  1
  Ni  Ni53  1  0.681004  0.370594  0.368299  1
  Ni  Ni54  1  0.014338  0.037261  0.368299  1
  Ni  Ni55  1  0.308220  0.506978  0.419856  1
  Ni  Ni56  1  0.641554  0.173644  0.419856  1
  Ni  Ni57  1  0.767062  0.521307  0.395095  1
  Ni  Ni58  1  0.974887  0.840311  0.419856  1
  Ni  Ni59  1  0.100396  0.187974  0.395095  1
  Ni  Ni60  1  0.037535  0.514097  0.407497  1
  Ni  Ni61  1  0.433729  0.854641  0.395095  1
  Ni  Ni62  1  0.370868  0.180764  0.407497  1
  Ni  Ni63  1  0.704201  0.847431  0.407497  1
  Ni  Ni64  1  0.430573  0.674860  0.417661  1
  Ni  Ni65  1  0.763907  0.341527  0.417661  1
  Ni  Ni66  1  0.889158  0.689173  0.392949  1
  Ni  Ni67  1  0.097240  0.008194  0.417661  1
  Ni  Ni68  1  0.222491  0.355840  0.392949  1
  Ni  Ni69  1  0.159757  0.682180  0.405344  1
  Ni  Ni70  1  0.555824  0.022507  0.392949  1
  Ni  Ni71  1  0.493090  0.348847  0.405344  1
  Ni  Ni72  1  0.826423  0.015514  0.405344  1
  Ni  Ni73  1  0.120174  0.485360  0.456956  1
  Ni  Ni74  1  0.453508  0.152027  0.456956  1
  Ni  Ni75  1  0.578933  0.499755  0.432208  1
  Ni  Ni76  1  0.786841  0.818694  0.456956  1
  Ni  Ni77  1  0.912266  0.166422  0.432208  1
  Ni  Ni78  1  0.849532  0.492540  0.444589  1
  Ni  Ni79  1  0.245599  0.833089  0.432208  1
  Ni  Ni80  1  0.182865  0.159207  0.444589  1
  Ni  Ni81  1  0.516199  0.825873  0.444589  1
  Ni  Ni82  1  0.242508  0.653311  0.454769  1
  Ni  Ni83  1  0.575841  0.319978  0.454769  1
  Ni  Ni84  1  0.701190  0.667651  0.430026  1
  Ni  Ni85  1  0.909175  0.986645  0.454769  1
  Ni  Ni86  1  0.034524  0.334318  0.430026  1
  Ni  Ni87  1  0.971808  0.660497  0.442408  1
  Ni  Ni88  1  0.367857  1.000984  0.430026  1
  Ni  Ni89  1  0.305141  0.327163  0.442408  1
  Ni  Ni90  1  0.638475  0.993830  0.442408  1
  Ni  Ni91  1  0.932133  0.463779  0.494054  1
  Ni  Ni92  1  0.265466  0.130445  0.494054  1
  Ni  Ni93  1  0.390854  0.478167  0.469316  1
  Ni  Ni94  1  0.598799  0.797112  0.494054  1
  Ni  Ni95  1  0.724187  0.144833  0.469316  1
  Ni  Ni96  1  0.661498  0.470972  0.481686  1
  Ni  Ni97  1  0.057521  0.811500  0.469316  1
  Ni  Ni98  1  0.994831  0.137639  0.481686  1
  Ni  Ni99  1  0.328165  0.804305  0.481686  1
  Ni  Ni100  1  0.054450  0.631721  0.491863  1
  Ni  Ni101  1  0.387783  0.298388  0.491863  1
  Ni  Ni102  1  0.513160  0.646095  0.467125  1
  Ni  Ni103  1  0.721117  0.965055  0.491863  1
  Ni  Ni104  1  0.846494  0.312762  0.467125  1
  Ni  Ni105  1  0.783789  0.638911  0.479496  1
  Ni  Ni106  1  0.179827  0.979429  0.467125  1
  Ni  Ni107  1  0.117123  0.305577  0.479496  1
  Ni  Ni108  1  0.450456  0.972244  0.479496  1
  Ni  Ni109  1  0.744089  0.442207  0.531154  1
  Ni  Ni110  1  0.077422  0.108874  0.531154  1
  Ni  Ni111  1  0.202799  0.456581  0.506415  1
  Ni  Ni112  1  0.410756  0.775540  0.531154  1
  Ni  Ni113  1  0.536133  0.123248  0.506415  1
  Ni  Ni114  1  0.473460  0.449392  0.518782  1
  Ni  Ni115  1  0.869466  0.789914  0.506415  1
  Ni  Ni116  1  0.806793  0.116058  0.518782  1
  Ni  Ni117  1  0.140127  0.782725  0.518782  1
  Ni  Ni118  1  0.866395  0.610136  0.528963  1
  Ni  Ni119  1  0.199729  0.276803  0.528963  1
  Ni  Ni120  1  0.325117  0.624524  0.504225  1
  Ni  Ni121  1  0.533062  0.943469  0.528963  1
  Ni  Ni122  1  0.658450  0.291191  0.504225  1
  Ni  Ni123  1  0.595751  0.617330  0.516593  1
  Ni  Ni124  1  0.991783  0.957857  0.504225  1
  Ni  Ni125  1  0.929085  0.283997  0.516593  1
  Ni  Ni126  1  0.262418  0.950664  0.516593  1
  Ni  Ni127  1  0.556059  0.420651  0.568252  1
  Ni  Ni128  1  0.889392  0.087318  0.568252  1
  Ni  Ni129  1  0.014741  0.434991  0.543510  1
  Ni  Ni130  1  0.222726  0.753985  0.568252  1
  Ni  Ni131  1  0.348075  0.101658  0.543510  1
  Ni  Ni132  1  0.285441  0.427806  0.555871  1
  Ni  Ni133  1  0.681408  0.768324  0.543510  1
  Ni  Ni134  1  0.618775  0.094472  0.555871  1
  Ni  Ni135  1  0.952108  0.761139  0.555871  1
  Ni  Ni136  1  0.678317  0.588547  0.566070  1
  Ni  Ni137  1  0.011650  0.255214  0.566070  1
  Ni  Ni138  1  0.137075  0.602942  0.541322  1
  Ni  Ni139  1  0.344983  0.921881  0.566070  1
  Ni  Ni140  1  0.470408  0.269609  0.541322  1
  Ni  Ni141  1  0.407717  0.595762  0.553690  1
  Ni  Ni142  1  0.803742  0.936275  0.541322  1
  Ni  Ni143  1  0.741051  0.262429  0.553690  1
  Ni  Ni144  1  0.074384  0.929096  0.553690  1
  Ni  Ni145  1  0.368092  0.399129  0.605330  1
  Ni  Ni146  1  0.701425  0.065796  0.605330  1
  Ni  Ni147  1  0.826676  0.413442  0.580617  1
  Ni  Ni148  1  0.034758  0.732462  0.605330  1
  Ni  Ni149  1  0.160009  0.080109  0.580617  1
  Ni  Ni150  1  0.097493  0.406122  0.592935  1
  Ni  Ni151  1  0.493343  0.746775  0.580617  1
  Ni  Ni152  1  0.430826  0.072789  0.592935  1
  Ni  Ni153  1  0.764159  0.739456  0.592935  1
  Ni  Ni154  1  0.490187  0.566995  0.603184  1
  Ni  Ni155  1  0.823520  0.233662  0.603184  1
  Ni  Ni156  1  0.949029  0.581325  0.578423  1
  Ni  Ni157  1  0.156854  0.900328  0.603184  1
  Ni  Ni158  1  0.282362  0.247991  0.578423  1
  Ni  Ni159  1  0.219715  0.574205  0.590782  1
  Ni  Ni160  1  0.615696  0.914658  0.578423  1
  Ni  Ni161  1  0.553048  0.240872  0.590782  1
  Ni  Ni162  1  0.886381  0.907538  0.590782  1
  Ni  Ni163  1  0.180923  0.377105  0.642334  1
  Ni  Ni164  1  0.514257  0.043771  0.642334  1
  Ni  Ni165  1  0.638578  0.391979  0.617731  1
  Ni  Ni166  1  0.847590  0.710438  0.642334  1
  Ni  Ni167  1  0.971911  0.058646  0.617731  1
  Ni  Ni168  1  0.909578  0.384375  0.629980  1
  Ni  Ni169  1  0.305245  0.725312  0.617731  1
  Ni  Ni170  1  0.242912  0.051042  0.629980  1
  Ni  Ni171  1  0.576245  0.717709  0.629980  1
  Ni  Ni172  1  0.302282  0.545623  0.640307  1
  Ni  Ni173  1  0.635616  0.212290  0.640307  1
  Ni  Ni174  1  0.760759  0.559732  0.615573  1
  Ni  Ni175  1  0.968949  0.878957  0.640307  1
  Ni  Ni176  1  0.094092  0.226399  0.615573  1
  Ni  Ni177  1  0.031708  0.552420  0.627807  1
  Ni  Ni178  1  0.427426  0.893065  0.615573  1
  Ni  Ni179  1  0.365041  0.219087  0.627807  1
  Ni  Ni180  1  0.698375  0.885753  0.627807  1
  Ni  Ni181  1  0.991936  0.355255  0.678837  1
  Ni  Ni182  1  0.325269  0.021922  0.678837  1
  Ni  Ni183  1  0.450202  0.370651  0.654781  1
  Ni  Ni184  1  0.658602  0.688589  0.678837  1
  Ni  Ni185  1  0.783535  0.037318  0.654781  1
  Ni  Ni186  1  0.720850  0.363182  0.667005  1
  Ni  Ni187  1  0.116869  0.703985  0.654781  1
  Ni  Ni188  1  0.054183  0.029849  0.667005  1
  Ni  Ni189  1  0.387517  0.696515  0.667005  1
  Ni  Ni190  1  0.114160  0.524828  0.676548  1
  Ni  Ni191  1  0.447494  0.191495  0.676548  1
  Ni  Ni192  1  0.572309  0.537888  0.652771  1
  Ni  Ni193  1  0.780827  0.858161  0.676548  1
  Ni  Ni194  1  0.905642  0.204555  0.652771  1
  Ni  Ni195  1  0.843827  0.530344  0.664704  1
  Ni  Ni196  1  0.238976  0.871222  0.652771  1
  Ni  Ni197  1  0.177160  0.197011  0.664704  1
  Ni  Ni198  1  0.510493  0.863678  0.664704  1
  Ni  Ni199  1  0.806620  0.334884  0.715588  1
  Ni  Ni200  1  0.139953  1.001551  0.715588  1
  Ni  Ni201  1  0.257900  0.350645  0.691956  1
  Ni  Ni202  1  0.473286  0.668217  0.715588  1
  Ni  Ni203  1  0.591233  0.017311  0.691956  1
  Ni  Ni204  1  0.532188  0.340433  0.703855  1
  Ni  Ni205  1  0.924567  0.683978  0.691956  1
  Ni  Ni206  1  0.865521  0.007100  0.703855  1
  Ni  Ni207  1  0.198855  0.673767  0.703855  1
  Ni  Ni208  1  0.933305  0.501940  0.713490  1
  Ni  Ni209  1  0.266639  0.168607  0.713490  1
  Ni  Ni210  1  0.385169  0.516447  0.689450  1
  Ni  Ni211  1  0.599972  0.835274  0.713490  1
  Ni  Ni212  1  0.718502  0.183114  0.689450  1
  Ni  Ni213  1  0.658636  0.510148  0.701708  1
  Ni  Ni214  1  0.051835  0.849781  0.689450  1
  Ni  Ni215  1  0.991969  0.176815  0.701708  1
  Ni  Ni216  1  0.325303  0.843481  0.701708  1
