# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.06689146
_cell_length_b   13.20563604
_cell_length_c   47.77399570
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.05145641
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8223.11783464
_cell_formula_units_Z   324
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  0.264224  0.636964  0.311763  1
  Ni  Ni2  1  0.272577  0.281996  0.328983  1
  Ni  Ni3  1  0.418629  0.327927  0.297128  1
  Ni  Ni4  1  0.597557  0.303631  0.311763  1
  Ni  Ni5  1  0.251962  0.994593  0.297128  1
  Ni  Ni6  1  0.430890  0.970297  0.311763  1
  Ni  Ni7  1  0.439244  0.615330  0.328983  1
  Ni  Ni8  1  0.585295  0.661260  0.297128  1
  Ni  Ni9  1  0.764224  0.636964  0.311763  1
  Ni  Ni10  1  0.772577  0.281996  0.328983  1
  Ni  Ni11  1  0.918629  0.327927  0.297128  1
  Ni  Ni12  1  0.097557  0.303631  0.311763  1
  Ni  Ni13  1  0.605911  0.948663  0.328983  1
  Ni  Ni14  1  0.751962  0.994593  0.297128  1
  Ni  Ni15  1  0.930890  0.970297  0.311763  1
  Ni  Ni16  1  0.939244  0.615330  0.328983  1
  Ni  Ni17  1  0.085295  0.661260  0.297128  1
  Ni  Ni18  1  0.105911  0.948663  0.328983  1
  Ni  Ni19  1  0.311410  0.818185  0.301934  1
  Ni  Ni20  1  0.320468  0.462620  0.318152  1
  Ni  Ni21  1  0.465425  0.511291  0.287714  1
  Ni  Ni22  1  0.644743  0.484852  0.301934  1
  Ni  Ni23  1  0.298758  0.177958  0.287714  1
  Ni  Ni24  1  0.478077  0.151519  0.301934  1
  Ni  Ni25  1  0.487135  0.795954  0.318152  1
  Ni  Ni26  1  0.632092  0.844624  0.287714  1
  Ni  Ni27  1  0.811410  0.818185  0.301934  1
  Ni  Ni28  1  0.820468  0.462620  0.318152  1
  Ni  Ni29  1  0.965425  0.511291  0.287714  1
  Ni  Ni30  1  0.144743  0.484852  0.301934  1
  Ni  Ni31  1  0.653802  0.129287  0.318152  1
  Ni  Ni32  1  0.798758  0.177958  0.287714  1
  Ni  Ni33  1  0.978077  0.151519  0.301934  1
  Ni  Ni34  1  0.987135  0.795954  0.318152  1
  Ni  Ni35  1  0.132092  0.844624  0.287714  1
  Ni  Ni36  1  0.153802  0.129287  0.318152  1
  Ni  Ni37  1  0.292910  0.569895  0.360325  1
  Ni  Ni38  1  0.303881  0.214175  0.376217  1
  Ni  Ni39  1  0.450319  0.258780  0.344365  1
  Ni  Ni40  1  0.626243  0.236562  0.360325  1
  Ni  Ni41  1  0.283652  0.925447  0.344365  1
  Ni  Ni42  1  0.459576  0.903229  0.360325  1
  Ni  Ni43  1  0.470548  0.547509  0.376217  1
  Ni  Ni44  1  0.616986  0.592114  0.344365  1
  Ni  Ni45  1  0.792910  0.569895  0.360325  1
  Ni  Ni46  1  0.803881  0.214175  0.376217  1
  Ni  Ni47  1  0.950319  0.258780  0.344365  1
  Ni  Ni48  1  0.126243  0.236562  0.360325  1
  Ni  Ni49  1  0.637214  0.880842  0.376217  1
  Ni  Ni50  1  0.783652  0.925447  0.344365  1
  Ni  Ni51  1  0.959576  0.903229  0.360325  1
  Ni  Ni52  1  0.970548  0.547509  0.376217  1
  Ni  Ni53  1  0.116986  0.592114  0.344365  1
  Ni  Ni54  1  0.137214  0.880842  0.376217  1
  Ni  Ni55  1  0.341569  0.751059  0.349844  1
  Ni  Ni56  1  0.352457  0.395857  0.365747  1
  Ni  Ni57  1  0.499313  0.439987  0.334310  1
  Ni  Ni58  1  0.674903  0.417725  0.349844  1
  Ni  Ni59  1  0.332647  0.106654  0.334310  1
  Ni  Ni60  1  0.508236  0.084392  0.349844  1
  Ni  Ni61  1  0.519124  0.729191  0.365747  1
  Ni  Ni62  1  0.665980  0.773320  0.334310  1
  Ni  Ni63  1  0.841569  0.751059  0.349844  1
  Ni  Ni64  1  0.852457  0.395857  0.365747  1
  Ni  Ni65  1  0.999313  0.439987  0.334310  1
  Ni  Ni66  1  0.174903  0.417725  0.349844  1
  Ni  Ni67  1  0.685790  0.062524  0.365747  1
  Ni  Ni68  1  0.832647  0.106654  0.334310  1
  Ni  Ni69  1  0.008236  0.084392  0.349844  1
  Ni  Ni70  1  0.019124  0.729191  0.365747  1
  Ni  Ni71  1  0.165980  0.773320  0.334310  1
  Ni  Ni72  1  0.185790  0.062524  0.365747  1
  Ni  Ni73  1  0.324405  0.502430  0.407972  1
  Ni  Ni74  1  0.334680  0.146554  0.423878  1
  Ni  Ni75  1  0.480664  0.191383  0.392083  1
  Ni  Ni76  1  0.657739  0.169096  0.407972  1
  Ni  Ni77  1  0.313997  0.858049  0.392083  1
  Ni  Ni78  1  0.491072  0.835763  0.407972  1
  Ni  Ni79  1  0.501347  0.479887  0.423878  1
  Ni  Ni80  1  0.647331  0.524716  0.392083  1
  Ni  Ni81  1  0.824405  0.502430  0.407972  1
  Ni  Ni82  1  0.834680  0.146554  0.423878  1
  Ni  Ni83  1  0.980664  0.191383  0.392083  1
  Ni  Ni84  1  0.157739  0.169096  0.407972  1
  Ni  Ni85  1  0.668013  0.813220  0.423878  1
  Ni  Ni86  1  0.813997  0.858049  0.392083  1
  Ni  Ni87  1  0.991072  0.835763  0.407972  1
  Ni  Ni88  1  1.001347  0.479887  0.423878  1
  Ni  Ni89  1  0.147331  0.524716  0.392083  1
  Ni  Ni90  1  0.168013  0.813220  0.423878  1
  Ni  Ni91  1  0.372666  0.683873  0.397450  1
  Ni  Ni92  1  0.382795  0.328053  0.413400  1
  Ni  Ni93  1  0.528941  0.372838  0.381702  1
  Ni  Ni94  1  0.706000  0.350540  0.397450  1
  Ni  Ni95  1  0.362274  0.039505  0.381702  1
  Ni  Ni96  1  0.539333  0.017206  0.397450  1
  Ni  Ni97  1  0.549461  0.661386  0.413400  1
  Ni  Ni98  1  0.695607  0.706171  0.381702  1
  Ni  Ni99  1  0.872666  0.683873  0.397450  1
  Ni  Ni100  1  0.882795  0.328053  0.413400  1
  Ni  Ni101  1  0.028941  0.372838  0.381702  1
  Ni  Ni102  1  0.206000  0.350540  0.397450  1
  Ni  Ni103  1  0.716128  0.994720  0.413400  1
  Ni  Ni104  1  0.862274  0.039505  0.381702  1
  Ni  Ni105  1  0.039333  0.017206  0.397450  1
  Ni  Ni106  1  0.049461  0.661386  0.413400  1
  Ni  Ni107  1  0.195607  0.706171  0.381702  1
  Ni  Ni108  1  0.216128  0.994720  0.413400  1
  Ni  Ni109  1  0.355306  0.434939  0.455644  1
  Ni  Ni110  1  0.365622  0.079105  0.471528  1
  Ni  Ni111  1  0.511680  0.124037  0.439741  1
  Ni  Ni112  1  0.688639  0.101606  0.455644  1
  Ni  Ni113  1  0.345013  0.790703  0.439741  1
  Ni  Ni114  1  0.521973  0.768272  0.455644  1
  Ni  Ni115  1  0.532289  0.412438  0.471528  1
  Ni  Ni116  1  0.678346  0.457370  0.439741  1
  Ni  Ni117  1  0.855306  0.434939  0.455644  1
  Ni  Ni118  1  0.865622  0.079105  0.471528  1
  Ni  Ni119  1  0.011680  0.124037  0.439741  1
  Ni  Ni120  1  0.188639  0.101606  0.455644  1
  Ni  Ni121  1  0.698956  0.745772  0.471528  1
  Ni  Ni122  1  0.845013  0.790703  0.439741  1
  Ni  Ni123  1  0.021973  0.768272  0.455644  1
  Ni  Ni124  1  0.032289  0.412438  0.471528  1
  Ni  Ni125  1  0.178346  0.457370  0.439741  1
  Ni  Ni126  1  0.198956  0.745772  0.471528  1
  Ni  Ni127  1  0.403389  0.616442  0.445146  1
  Ni  Ni128  1  0.413695  0.260610  0.461041  1
  Ni  Ni129  1  0.559798  0.305528  0.429272  1
  Ni  Ni130  1  0.736722  0.283109  0.445146  1
  Ni  Ni131  1  0.393131  0.972195  0.429272  1
  Ni  Ni132  1  0.570055  0.949776  0.445146  1
  Ni  Ni133  1  0.580362  0.593944  0.461041  1
  Ni  Ni134  1  0.726464  0.638862  0.429272  1
  Ni  Ni135  1  0.903389  0.616442  0.445146  1
  Ni  Ni136  1  0.913695  0.260610  0.461041  1
  Ni  Ni137  1  0.059798  0.305528  0.429272  1
  Ni  Ni138  1  0.236722  0.283109  0.445146  1
  Ni  Ni139  1  0.747028  0.927277  0.461041  1
  Ni  Ni140  1  0.893131  0.972195  0.429272  1
  Ni  Ni141  1  0.070055  0.949776  0.445146  1
  Ni  Ni142  1  0.080362  0.593944  0.461041  1
  Ni  Ni143  1  0.226464  0.638862  0.429272  1
  Ni  Ni144  1  0.247028  0.927277  0.461041  1
  Ni  Ni145  1  0.386223  0.367491  0.503302  1
  Ni  Ni146  1  0.396529  0.011690  0.519186  1
  Ni  Ni147  1  0.542586  0.056636  0.487411  1
  Ni  Ni148  1  0.719557  0.034158  0.503302  1
  Ni  Ni149  1  0.375920  0.723303  0.487411  1
  Ni  Ni150  1  0.552890  0.700824  0.503302  1
  Ni  Ni151  1  0.563196  0.345024  0.519186  1
  Ni  Ni152  1  0.709253  0.389969  0.487411  1
  Ni  Ni153  1  0.886223  0.367491  0.503302  1
  Ni  Ni154  1  0.896529  0.011690  0.519186  1
  Ni  Ni155  1  0.042586  0.056636  0.487411  1
  Ni  Ni156  1  0.219557  0.034158  0.503302  1
  Ni  Ni157  1  0.729862  0.678357  0.519186  1
  Ni  Ni158  1  0.875920  0.723303  0.487411  1
  Ni  Ni159  1  0.052890  0.700824  0.503302  1
  Ni  Ni160  1  0.063196  0.345024  0.519186  1
  Ni  Ni161  1  0.209253  0.389969  0.487411  1
  Ni  Ni162  1  0.229862  0.678357  0.519186  1
  Ni  Ni163  1  0.434293  0.549000  0.492807  1
  Ni  Ni164  1  0.444597  0.193189  0.508698  1
  Ni  Ni165  1  0.590654  0.238134  0.476923  1
  Ni  Ni166  1  0.767627  0.215667  0.492807  1
  Ni  Ni167  1  0.423987  0.904801  0.476923  1
  Ni  Ni168  1  0.600960  0.882333  0.492807  1
  Ni  Ni169  1  0.611264  0.526522  0.508698  1
  Ni  Ni170  1  0.757321  0.571468  0.476923  1
  Ni  Ni171  1  0.934293  0.549000  0.492807  1
  Ni  Ni172  1  0.944597  0.193189  0.508698  1
  Ni  Ni173  1  0.090654  0.238134  0.476923  1
  Ni  Ni174  1  0.267627  0.215667  0.492807  1
  Ni  Ni175  1  0.777930  0.859855  0.508698  1
  Ni  Ni176  1  0.923987  0.904801  0.476923  1
  Ni  Ni177  1  0.100960  0.882333  0.492807  1
  Ni  Ni178  1  0.111264  0.526522  0.508698  1
  Ni  Ni179  1  0.257321  0.571468  0.476923  1
  Ni  Ni180  1  0.277930  0.859855  0.508698  1
  Ni  Ni181  1  0.417128  0.300049  0.550963  1
  Ni  Ni182  1  0.427386  0.944296  0.566838  1
  Ni  Ni183  1  0.573488  0.989214  0.535069  1
  Ni  Ni184  1  0.750461  0.966716  0.550963  1
  Ni  Ni185  1  0.406821  0.655881  0.535069  1
  Ni  Ni186  1  0.583795  0.633382  0.550963  1
  Ni  Ni187  1  0.594052  0.277630  0.566838  1
  Ni  Ni188  1  0.740155  0.322547  0.535069  1
  Ni  Ni189  1  0.917128  0.300049  0.550963  1
  Ni  Ni190  1  0.927386  0.944296  0.566838  1
  Ni  Ni191  1  0.073488  0.989214  0.535069  1
  Ni  Ni192  1  0.250461  0.966716  0.550963  1
  Ni  Ni193  1  0.760719  0.610963  0.566838  1
  Ni  Ni194  1  0.906821  0.655881  0.535069  1
  Ni  Ni195  1  0.083795  0.633382  0.550963  1
  Ni  Ni196  1  0.094052  0.277630  0.566838  1
  Ni  Ni197  1  0.240155  0.322547  0.535069  1
  Ni  Ni198  1  0.260719  0.610963  0.566838  1
  Ni  Ni199  1  0.465211  0.481552  0.540466  1
  Ni  Ni200  1  0.475504  0.125788  0.556368  1
  Ni  Ni201  1  0.621561  0.170720  0.524581  1
  Ni  Ni202  1  0.798544  0.148219  0.540466  1
  Ni  Ni203  1  0.454894  0.837386  0.524581  1
  Ni  Ni204  1  0.631877  0.814886  0.540466  1
  Ni  Ni205  1  0.642170  0.459121  0.556368  1
  Ni  Ni206  1  0.788228  0.504053  0.524581  1
  Ni  Ni207  1  0.965211  0.481552  0.540466  1
  Ni  Ni208  1  0.975504  0.125788  0.556368  1
  Ni  Ni209  1  0.121561  0.170720  0.524581  1
  Ni  Ni210  1  0.298544  0.148219  0.540466  1
  Ni  Ni211  1  0.808837  0.792455  0.556368  1
  Ni  Ni212  1  0.954894  0.837386  0.524581  1
  Ni  Ni213  1  0.131877  0.814886  0.540466  1
  Ni  Ni214  1  0.142170  0.459121  0.556368  1
  Ni  Ni215  1  0.288228  0.504053  0.524581  1
  Ni  Ni216  1  0.308837  0.792455  0.556368  1
  Ni  Ni217  1  0.447850  0.232618  0.598659  1
  Ni  Ni218  1  0.458243  0.876987  0.614407  1
  Ni  Ni219  1  0.604389  0.921772  0.582709  1
  Ni  Ni220  1  0.781184  0.899285  0.598659  1
  Ni  Ni221  1  0.437722  0.588438  0.582709  1
  Ni  Ni222  1  0.614517  0.565952  0.598659  1
  Ni  Ni223  1  0.624909  0.210320  0.614407  1
  Ni  Ni224  1  0.771055  0.255105  0.582709  1
  Ni  Ni225  1  0.947850  0.232618  0.598659  1
  Ni  Ni226  1  0.958243  0.876987  0.614407  1
  Ni  Ni227  1  0.104389  0.921772  0.582709  1
  Ni  Ni228  1  0.281184  0.899285  0.598659  1
  Ni  Ni229  1  0.791576  0.543653  0.614407  1
  Ni  Ni230  1  0.937722  0.588438  0.582709  1
  Ni  Ni231  1  0.114517  0.565952  0.598659  1
  Ni  Ni232  1  0.124909  0.210320  0.614407  1
  Ni  Ni233  1  0.271055  0.255105  0.582709  1
  Ni  Ni234  1  0.291576  0.543653  0.614407  1
  Ni  Ni235  1  0.496111  0.414062  0.588138  1
  Ni  Ni236  1  0.506519  0.058442  0.604027  1
  Ni  Ni237  1  0.652503  0.103271  0.572232  1
  Ni  Ni238  1  0.829445  0.080728  0.588138  1
  Ni  Ni239  1  0.485837  0.769938  0.572232  1
  Ni  Ni240  1  0.662778  0.747395  0.588138  1
  Ni  Ni241  1  0.673186  0.391775  0.604027  1
  Ni  Ni242  1  0.819170  0.436604  0.572232  1
  Ni  Ni243  1  0.996111  0.414062  0.588138  1
  Ni  Ni244  1  0.006519  0.058442  0.604027  1
  Ni  Ni245  1  0.152503  0.103271  0.572232  1
  Ni  Ni246  1  0.329445  0.080728  0.588138  1
  Ni  Ni247  1  0.839853  0.725109  0.604027  1
  Ni  Ni248  1  0.985837  0.769938  0.572232  1
  Ni  Ni249  1  0.162778  0.747395  0.588138  1
  Ni  Ni250  1  0.173186  0.391775  0.604027  1
  Ni  Ni251  1  0.319170  0.436604  0.572232  1
  Ni  Ni252  1  0.339853  0.725109  0.604027  1
  Ni  Ni253  1  0.478947  0.165433  0.646265  1
  Ni  Ni254  1  0.487870  0.809838  0.661799  1
  Ni  Ni255  1  0.634726  0.853967  0.630362  1
  Ni  Ni256  1  0.812281  0.832099  0.646265  1
  Ni  Ni257  1  0.468060  0.520634  0.630362  1
  Ni  Ni258  1  0.645614  0.498766  0.646265  1
  Ni  Ni259  1  0.654537  0.143171  0.661799  1
  Ni  Ni260  1  0.801393  0.187301  0.630362  1
  Ni  Ni261  1  0.978947  0.165433  0.646265  1
  Ni  Ni262  1  0.987870  0.809838  0.661799  1
  Ni  Ni263  1  0.134726  0.853967  0.630362  1
  Ni  Ni264  1  0.312281  0.832099  0.646265  1
  Ni  Ni265  1  0.821203  0.476504  0.661799  1
  Ni  Ni266  1  0.968060  0.520634  0.630362  1
  Ni  Ni267  1  0.145614  0.498766  0.646265  1
  Ni  Ni268  1  0.154537  0.143171  0.661799  1
  Ni  Ni269  1  0.301393  0.187301  0.630362  1
  Ni  Ni270  1  0.321203  0.476504  0.661799  1
  Ni  Ni271  1  0.527607  0.346596  0.635785  1
  Ni  Ni272  1  0.536864  0.991044  0.651744  1
  Ni  Ni273  1  0.683302  0.035649  0.619892  1
  Ni  Ni274  1  0.860940  0.013263  0.635785  1
  Ni  Ni275  1  0.516636  0.702316  0.619892  1
  Ni  Ni276  1  0.694273  0.679929  0.635785  1
  Ni  Ni277  1  0.703531  0.324378  0.651744  1
  Ni  Ni278  1  0.849969  0.368983  0.619892  1
  Ni  Ni279  1  0.027607  0.346596  0.635785  1
  Ni  Ni280  1  0.036864  0.991044  0.651744  1
  Ni  Ni281  1  0.183302  0.035649  0.619892  1
  Ni  Ni282  1  0.360940  0.013263  0.635785  1
  Ni  Ni283  1  0.870198  0.657711  0.651744  1
  Ni  Ni284  1  0.016636  0.702316  0.619892  1
  Ni  Ni285  1  0.194273  0.679929  0.635785  1
  Ni  Ni286  1  0.203531  0.324378  0.651744  1
  Ni  Ni287  1  0.349969  0.368983  0.619892  1
  Ni  Ni288  1  0.370198  0.657711  0.651744  1
  Ni  Ni289  1  0.509106  0.098306  0.694175  1
  Ni  Ni290  1  0.521758  0.738534  0.708395  1
  Ni  Ni291  1  0.666715  0.787204  0.677957  1
  Ni  Ni292  1  0.842440  0.764973  0.694175  1
  Ni  Ni293  1  0.500048  0.453871  0.677957  1
  Ni  Ni294  1  0.675773  0.431639  0.694175  1
  Ni  Ni295  1  0.688425  0.071867  0.708395  1
  Ni  Ni296  1  0.833382  0.120538  0.677957  1
  Ni  Ni297  1  0.009106  0.098306  0.694175  1
  Ni  Ni298  1  0.021758  0.738534  0.708395  1
  Ni  Ni299  1  0.166715  0.787204  0.677957  1
  Ni  Ni300  1  0.342440  0.764973  0.694175  1
  Ni  Ni301  1  0.855091  0.405200  0.708395  1
  Ni  Ni302  1  1.000048  0.453871  0.677957  1
  Ni  Ni303  1  0.175773  0.431639  0.694175  1
  Ni  Ni304  1  0.188425  0.071867  0.708395  1
  Ni  Ni305  1  0.333382  0.120538  0.677957  1
  Ni  Ni306  1  0.355091  0.405200  0.708395  1
  Ni  Ni307  1  0.556293  0.279527  0.684347  1
  Ni  Ni308  1  0.568555  0.921898  0.698981  1
  Ni  Ni309  1  0.714606  0.967828  0.667126  1
  Ni  Ni310  1  0.889626  0.946194  0.684347  1
  Ni  Ni311  1  0.547939  0.634495  0.667126  1
  Ni  Ni312  1  0.722959  0.612861  0.684347  1
  Ni  Ni313  1  0.735221  0.255231  0.698981  1
  Ni  Ni314  1  0.881273  0.301162  0.667126  1
  Ni  Ni315  1  0.056293  0.279527  0.684347  1
  Ni  Ni316  1  0.068555  0.921898  0.698981  1
  Ni  Ni317  1  0.214606  0.967828  0.667126  1
  Ni  Ni318  1  0.389626  0.946194  0.684347  1
  Ni  Ni319  1  0.901888  0.588564  0.698981  1
  Ni  Ni320  1  0.047939  0.634495  0.667126  1
  Ni  Ni321  1  0.222959  0.612861  0.684347  1
  Ni  Ni322  1  0.235221  0.255231  0.698981  1
  Ni  Ni323  1  0.381273  0.301162  0.667126  1
  Ni  Ni324  1  0.401888  0.588564  0.698981  1
