# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.08875796
_cell_length_b   13.27278109
_cell_length_c   47.80850067
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.04383197
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   8284.81704082
_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  0.267009  0.639294  0.312583  1
  Ni  Ni2  1  0.275320  0.284512  0.329291  1
  Ni  Ni3  1  0.422900  0.331691  0.297606  1
  Ni  Ni4  1  0.600342  0.305961  0.312583  1
  Ni  Ni5  1  0.256233  0.998357  0.297606  1
  Ni  Ni6  1  0.433675  0.972628  0.312583  1
  Ni  Ni7  1  0.441987  0.617846  0.329291  1
  Ni  Ni8  1  0.589566  0.665024  0.297606  1
  Ni  Ni9  1  0.767009  0.639294  0.312583  1
  Ni  Ni10  1  0.775320  0.284512  0.329291  1
  Ni  Ni11  1  0.922900  0.331691  0.297606  1
  Ni  Ni12  1  0.100342  0.305961  0.312583  1
  Ni  Ni13  1  0.608654  0.951179  0.329291  1
  Ni  Ni14  1  0.756233  0.998357  0.297606  1
  Ni  Ni15  1  0.933675  0.972628  0.312583  1
  Ni  Ni16  1  0.941987  0.617846  0.329291  1
  Ni  Ni17  1  0.089566  0.665024  0.297606  1
  Ni  Ni18  1  0.108654  0.951179  0.329291  1
  Ni  Ni19  1  0.310168  0.820378  0.303105  1
  Ni  Ni20  1  0.320417  0.463741  0.319039  1
  Ni  Ni21  1  0.468405  0.514643  0.288759  1
  Ni  Ni22  1  0.643501  0.487045  0.303105  1
  Ni  Ni23  1  0.301739  0.181309  0.288759  1
  Ni  Ni24  1  0.476834  0.153711  0.303105  1
  Ni  Ni25  1  0.487083  0.797074  0.319039  1
  Ni  Ni26  1  0.635072  0.847976  0.288759  1
  Ni  Ni27  1  0.810168  0.820378  0.303105  1
  Ni  Ni28  1  0.820417  0.463741  0.319039  1
  Ni  Ni29  1  0.968405  0.514643  0.288759  1
  Ni  Ni30  1  0.143501  0.487045  0.303105  1
  Ni  Ni31  1  0.653750  0.130407  0.319039  1
  Ni  Ni32  1  0.801739  0.181309  0.288759  1
  Ni  Ni33  1  0.976834  0.153711  0.303105  1
  Ni  Ni34  1  0.987083  0.797074  0.319039  1
  Ni  Ni35  1  0.135072  0.847976  0.288759  1
  Ni  Ni36  1  0.153750  0.130407  0.319039  1
  Ni  Ni37  1  0.294275  0.571394  0.360451  1
  Ni  Ni38  1  0.304818  0.215915  0.376639  1
  Ni  Ni39  1  0.451900  0.260741  0.344313  1
  Ni  Ni40  1  0.627608  0.238061  0.360451  1
  Ni  Ni41  1  0.285234  0.927408  0.344313  1
  Ni  Ni42  1  0.460941  0.904728  0.360451  1
  Ni  Ni43  1  0.471484  0.549249  0.376639  1
  Ni  Ni44  1  0.618567  0.594075  0.344313  1
  Ni  Ni45  1  0.794275  0.571394  0.360451  1
  Ni  Ni46  1  0.804818  0.215915  0.376639  1
  Ni  Ni47  1  0.951900  0.260741  0.344313  1
  Ni  Ni48  1  0.127608  0.238061  0.360451  1
  Ni  Ni49  1  0.638151  0.882582  0.376639  1
  Ni  Ni50  1  0.785234  0.927408  0.344313  1
  Ni  Ni51  1  0.960941  0.904728  0.360451  1
  Ni  Ni52  1  0.971484  0.549249  0.376639  1
  Ni  Ni53  1  0.118567  0.594075  0.344313  1
  Ni  Ni54  1  0.138151  0.882582  0.376639  1
  Ni  Ni55  1  0.341332  0.752993  0.350720  1
  Ni  Ni56  1  0.352673  0.397194  0.366288  1
  Ni  Ni57  1  0.498522  0.442155  0.334890  1
  Ni  Ni58  1  0.674666  0.419660  0.350720  1
  Ni  Ni59  1  0.331856  0.108822  0.334890  1
  Ni  Ni60  1  0.507999  0.086326  0.350720  1
  Ni  Ni61  1  0.519340  0.730527  0.366288  1
  Ni  Ni62  1  0.665189  0.775488  0.334890  1
  Ni  Ni63  1  0.841332  0.752993  0.350720  1
  Ni  Ni64  1  0.852673  0.397194  0.366288  1
  Ni  Ni65  1  0.998522  0.442155  0.334890  1
  Ni  Ni66  1  0.174666  0.419660  0.350720  1
  Ni  Ni67  1  0.686006  0.063861  0.366288  1
  Ni  Ni68  1  0.831856  0.108822  0.334890  1
  Ni  Ni69  1  0.007999  0.086326  0.350720  1
  Ni  Ni70  1  0.019340  0.730527  0.366288  1
  Ni  Ni71  1  0.165189  0.775488  0.334890  1
  Ni  Ni72  1  0.186006  0.063861  0.366288  1
  Ni  Ni73  1  0.324693  0.504136  0.408385  1
  Ni  Ni74  1  0.334985  0.148358  0.424374  1
  Ni  Ni75  1  0.481194  0.193315  0.392517  1
  Ni  Ni76  1  0.658027  0.170802  0.408385  1
  Ni  Ni77  1  0.314528  0.859982  0.392517  1
  Ni  Ni78  1  0.491360  0.837469  0.408385  1
  Ni  Ni79  1  0.501652  0.481691  0.424374  1
  Ni  Ni80  1  0.647861  0.526648  0.392517  1
  Ni  Ni81  1  0.824693  0.504136  0.408385  1
  Ni  Ni82  1  0.834985  0.148358  0.424374  1
  Ni  Ni83  1  0.981194  0.193315  0.392517  1
  Ni  Ni84  1  0.158027  0.170802  0.408385  1
  Ni  Ni85  1  0.668319  0.815025  0.424374  1
  Ni  Ni86  1  0.814528  0.859982  0.392517  1
  Ni  Ni87  1  0.991360  0.837469  0.408385  1
  Ni  Ni88  1  1.001652  0.481691  0.424374  1
  Ni  Ni89  1  0.147861  0.526648  0.392517  1
  Ni  Ni90  1  0.168319  0.815025  0.424374  1
  Ni  Ni91  1  0.372873  0.685223  0.398030  1
  Ni  Ni92  1  0.383011  0.329801  0.414017  1
  Ni  Ni93  1  0.529047  0.374059  0.382285  1
  Ni  Ni94  1  0.706206  0.351889  0.398030  1
  Ni  Ni95  1  0.362381  0.040726  0.382285  1
  Ni  Ni96  1  0.539539  0.018556  0.398030  1
  Ni  Ni97  1  0.549677  0.663134  0.414017  1
  Ni  Ni98  1  0.695714  0.707392  0.382285  1
  Ni  Ni99  1  0.872873  0.685223  0.398030  1
  Ni  Ni100  1  0.883011  0.329801  0.414017  1
  Ni  Ni101  1  0.029047  0.374059  0.382285  1
  Ni  Ni102  1  0.206206  0.351889  0.398030  1
  Ni  Ni103  1  0.716344  0.996467  0.414017  1
  Ni  Ni104  1  0.862381  0.040726  0.382285  1
  Ni  Ni105  1  0.039539  0.018556  0.398030  1
  Ni  Ni106  1  0.049677  0.663134  0.414017  1
  Ni  Ni107  1  0.195714  0.707392  0.382285  1
  Ni  Ni108  1  0.216344  0.996467  0.414017  1
  Ni  Ni109  1  0.355489  0.436796  0.456179  1
  Ni  Ni110  1  0.365780  0.080984  0.472078  1
  Ni  Ni111  1  0.511944  0.125812  0.440248  1
  Ni  Ni112  1  0.688823  0.103462  0.456179  1
  Ni  Ni113  1  0.345277  0.792478  0.440248  1
  Ni  Ni114  1  0.522156  0.770129  0.456179  1
  Ni  Ni115  1  0.532447  0.414318  0.472078  1
  Ni  Ni116  1  0.678610  0.459145  0.440248  1
  Ni  Ni117  1  0.855489  0.436796  0.456179  1
  Ni  Ni118  1  0.865780  0.080984  0.472078  1
  Ni  Ni119  1  0.011944  0.125812  0.440248  1
  Ni  Ni120  1  0.188823  0.103462  0.456179  1
  Ni  Ni121  1  0.699113  0.747651  0.472078  1
  Ni  Ni122  1  0.845277  0.792478  0.440248  1
  Ni  Ni123  1  0.022156  0.770129  0.456179  1
  Ni  Ni124  1  0.032447  0.414318  0.472078  1
  Ni  Ni125  1  0.178610  0.459145  0.440248  1
  Ni  Ni126  1  0.199113  0.747651  0.472078  1
  Ni  Ni127  1  0.403545  0.618115  0.445727  1
  Ni  Ni128  1  0.413841  0.262378  0.461636  1
  Ni  Ni129  1  0.559994  0.307207  0.429875  1
  Ni  Ni130  1  0.736878  0.284781  0.445727  1
  Ni  Ni131  1  0.393327  0.973873  0.429875  1
  Ni  Ni132  1  0.570212  0.951448  0.445727  1
  Ni  Ni133  1  0.580508  0.595711  0.461636  1
  Ni  Ni134  1  0.726661  0.640540  0.429875  1
  Ni  Ni135  1  0.903545  0.618115  0.445727  1
  Ni  Ni136  1  0.913841  0.262378  0.461636  1
  Ni  Ni137  1  0.059994  0.307207  0.429875  1
  Ni  Ni138  1  0.236878  0.284781  0.445727  1
  Ni  Ni139  1  0.747175  0.929044  0.461636  1
  Ni  Ni140  1  0.893327  0.973873  0.429875  1
  Ni  Ni141  1  0.070212  0.951448  0.445727  1
  Ni  Ni142  1  0.080508  0.595711  0.461636  1
  Ni  Ni143  1  0.226661  0.640540  0.429875  1
  Ni  Ni144  1  0.247175  0.929044  0.461636  1
  Ni  Ni145  1  0.386336  0.369420  0.503874  1
  Ni  Ni146  1  0.396628  0.013665  0.519762  1
  Ni  Ni147  1  0.542717  0.058519  0.487965  1
  Ni  Ni148  1  0.719669  0.036086  0.503874  1
  Ni  Ni149  1  0.376051  0.725186  0.487965  1
  Ni  Ni150  1  0.553002  0.702753  0.503874  1
  Ni  Ni151  1  0.563294  0.346998  0.519762  1
  Ni  Ni152  1  0.709384  0.391853  0.487965  1
  Ni  Ni153  1  0.886336  0.369420  0.503874  1
  Ni  Ni154  1  0.896628  0.013665  0.519762  1
  Ni  Ni155  1  0.042717  0.058519  0.487965  1
  Ni  Ni156  1  0.219669  0.036086  0.503874  1
  Ni  Ni157  1  0.729961  0.680332  0.519762  1
  Ni  Ni158  1  0.876051  0.725186  0.487965  1
  Ni  Ni159  1  0.053002  0.702753  0.503874  1
  Ni  Ni160  1  0.063294  0.346998  0.519762  1
  Ni  Ni161  1  0.209384  0.391853  0.487965  1
  Ni  Ni162  1  0.229961  0.680332  0.519762  1
  Ni  Ni163  1  0.434389  0.550849  0.493415  1
  Ni  Ni164  1  0.444673  0.195082  0.509323  1
  Ni  Ni165  1  0.590763  0.239937  0.477526  1
  Ni  Ni166  1  0.767722  0.217515  0.493415  1
  Ni  Ni167  1  0.424096  0.906603  0.477526  1
  Ni  Ni168  1  0.601055  0.884182  0.493415  1
  Ni  Ni169  1  0.611340  0.528415  0.509323  1
  Ni  Ni170  1  0.757430  0.573270  0.477526  1
  Ni  Ni171  1  0.934389  0.550849  0.493415  1
  Ni  Ni172  1  0.944673  0.195082  0.509323  1
  Ni  Ni173  1  0.090763  0.239937  0.477526  1
  Ni  Ni174  1  0.267722  0.217515  0.493415  1
  Ni  Ni175  1  0.778007  0.861749  0.509323  1
  Ni  Ni176  1  0.924096  0.906603  0.477526  1
  Ni  Ni177  1  0.101055  0.884182  0.493415  1
  Ni  Ni178  1  0.111340  0.528415  0.509323  1
  Ni  Ni179  1  0.257430  0.573270  0.477526  1
  Ni  Ni180  1  0.278007  0.861749  0.509323  1
  Ni  Ni181  1  0.417179  0.302154  0.551562  1
  Ni  Ni182  1  0.427397  0.946395  0.567413  1
  Ni  Ni183  1  0.573549  0.991224  0.535652  1
  Ni  Ni184  1  0.750512  0.968820  0.551562  1
  Ni  Ni185  1  0.406883  0.657890  0.535652  1
  Ni  Ni186  1  0.583846  0.635487  0.551562  1
  Ni  Ni187  1  0.594063  0.279728  0.567413  1
  Ni  Ni188  1  0.740216  0.324557  0.535652  1
  Ni  Ni189  1  0.917179  0.302154  0.551562  1
  Ni  Ni190  1  0.927397  0.946395  0.567413  1
  Ni  Ni191  1  0.073549  0.991224  0.535652  1
  Ni  Ni192  1  0.250512  0.968820  0.551562  1
  Ni  Ni193  1  0.760730  0.613062  0.567413  1
  Ni  Ni194  1  0.906883  0.657890  0.535652  1
  Ni  Ni195  1  0.083846  0.635487  0.551562  1
  Ni  Ni196  1  0.094063  0.279728  0.567413  1
  Ni  Ni197  1  0.240216  0.324557  0.535652  1
  Ni  Ni198  1  0.260730  0.613062  0.567413  1
  Ni  Ni199  1  0.465235  0.483473  0.541110  1
  Ni  Ni200  1  0.475447  0.127790  0.557041  1
  Ni  Ni201  1  0.621611  0.172617  0.525211  1
  Ni  Ni202  1  0.798568  0.150139  0.541110  1
  Ni  Ni203  1  0.454944  0.839284  0.525211  1
  Ni  Ni204  1  0.631901  0.816806  0.541110  1
  Ni  Ni205  1  0.642114  0.461123  0.557041  1
  Ni  Ni206  1  0.788277  0.505951  0.525211  1
  Ni  Ni207  1  0.965235  0.483473  0.541110  1
  Ni  Ni208  1  0.975447  0.127790  0.557041  1
  Ni  Ni209  1  0.121611  0.172617  0.525211  1
  Ni  Ni210  1  0.298568  0.150139  0.541110  1
  Ni  Ni211  1  0.808780  0.794456  0.557041  1
  Ni  Ni212  1  0.954944  0.839284  0.525211  1
  Ni  Ni213  1  0.131901  0.816806  0.541110  1
  Ni  Ni214  1  0.142114  0.461123  0.557041  1
  Ni  Ni215  1  0.288277  0.505951  0.525211  1
  Ni  Ni216  1  0.308780  0.794456  0.557041  1
  Ni  Ni217  1  0.447852  0.235046  0.599259  1
  Ni  Ni218  1  0.458343  0.879543  0.615004  1
  Ni  Ni219  1  0.604380  0.923801  0.583272  1
  Ni  Ni220  1  0.781185  0.901712  0.599259  1
  Ni  Ni221  1  0.437713  0.590467  0.583272  1
  Ni  Ni222  1  0.614518  0.568379  0.599259  1
  Ni  Ni223  1  0.625010  0.212876  0.615004  1
  Ni  Ni224  1  0.771047  0.257134  0.583272  1
  Ni  Ni225  1  0.947852  0.235046  0.599259  1
  Ni  Ni226  1  0.958343  0.879543  0.615004  1
  Ni  Ni227  1  0.104380  0.923801  0.583272  1
  Ni  Ni228  1  0.281185  0.901712  0.599259  1
  Ni  Ni229  1  0.791677  0.546209  0.615004  1
  Ni  Ni230  1  0.937713  0.590467  0.583272  1
  Ni  Ni231  1  0.114518  0.568379  0.599259  1
  Ni  Ni232  1  0.125010  0.212876  0.615004  1
  Ni  Ni233  1  0.271047  0.257134  0.583272  1
  Ni  Ni234  1  0.291677  0.546209  0.615004  1
  Ni  Ni235  1  0.496031  0.416132  0.588904  1
  Ni  Ni236  1  0.506196  0.060287  0.604772  1
  Ni  Ni237  1  0.652405  0.105244  0.572914  1
  Ni  Ni238  1  0.829364  0.082799  0.588904  1
  Ni  Ni239  1  0.485739  0.771910  0.572914  1
  Ni  Ni240  1  0.662697  0.749466  0.588904  1
  Ni  Ni241  1  0.672863  0.393620  0.604772  1
  Ni  Ni242  1  0.819072  0.438577  0.572914  1
  Ni  Ni243  1  0.996031  0.416132  0.588904  1
  Ni  Ni244  1  0.006196  0.060287  0.604772  1
  Ni  Ni245  1  0.152405  0.105244  0.572914  1
  Ni  Ni246  1  0.329364  0.082799  0.588904  1
  Ni  Ni247  1  0.839530  0.726953  0.604772  1
  Ni  Ni248  1  0.985739  0.771910  0.572914  1
  Ni  Ni249  1  0.162697  0.749466  0.588904  1
  Ni  Ni250  1  0.172863  0.393620  0.604772  1
  Ni  Ni251  1  0.319072  0.438577  0.572914  1
  Ni  Ni252  1  0.339530  0.726953  0.604772  1
  Ni  Ni253  1  0.479392  0.167275  0.646568  1
  Ni  Ni254  1  0.488868  0.811446  0.662398  1
  Ni  Ni255  1  0.634718  0.856408  0.631001  1
  Ni  Ni256  1  0.812725  0.833942  0.646568  1
  Ni  Ni257  1  0.468051  0.523074  0.631001  1
  Ni  Ni258  1  0.646058  0.500609  0.646568  1
  Ni  Ni259  1  0.655535  0.144780  0.662398  1
  Ni  Ni260  1  0.801384  0.189741  0.631001  1
  Ni  Ni261  1  0.979392  0.167275  0.646568  1
  Ni  Ni262  1  0.988868  0.811446  0.662398  1
  Ni  Ni263  1  0.134718  0.856408  0.631001  1
  Ni  Ni264  1  0.312725  0.833942  0.646568  1
  Ni  Ni265  1  0.822202  0.478113  0.662398  1
  Ni  Ni266  1  0.968051  0.523074  0.631001  1
  Ni  Ni267  1  0.146058  0.500609  0.646568  1
  Ni  Ni268  1  0.155535  0.144780  0.662398  1
  Ni  Ni269  1  0.301384  0.189741  0.631001  1
  Ni  Ni270  1  0.322202  0.478113  0.662398  1
  Ni  Ni271  1  0.526449  0.348874  0.636838  1
  Ni  Ni272  1  0.535490  0.992860  0.652975  1
  Ni  Ni273  1  0.682573  0.037686  0.620649  1
  Ni  Ni274  1  0.859783  0.015541  0.636838  1
  Ni  Ni275  1  0.515906  0.704353  0.620649  1
  Ni  Ni276  1  0.693116  0.682207  0.636838  1
  Ni  Ni277  1  0.702157  0.326194  0.652975  1
  Ni  Ni278  1  0.849240  0.371020  0.620649  1
  Ni  Ni279  1  0.026449  0.348874  0.636838  1
  Ni  Ni280  1  0.035490  0.992860  0.652975  1
  Ni  Ni281  1  0.182573  0.037686  0.620649  1
  Ni  Ni282  1  0.359783  0.015541  0.636838  1
  Ni  Ni283  1  0.868824  0.659527  0.652975  1
  Ni  Ni284  1  0.015906  0.704353  0.620649  1
  Ni  Ni285  1  0.193116  0.682207  0.636838  1
  Ni  Ni286  1  0.202157  0.326194  0.652975  1
  Ni  Ni287  1  0.349240  0.371020  0.620649  1
  Ni  Ni288  1  0.368824  0.659527  0.652975  1
  Ni  Ni289  1  0.510556  0.099890  0.694184  1
  Ni  Ni290  1  0.518985  0.738959  0.708529  1
  Ni  Ni291  1  0.666974  0.789861  0.678249  1
  Ni  Ni292  1  0.843890  0.766557  0.694184  1
  Ni  Ni293  1  0.500307  0.456527  0.678249  1
  Ni  Ni294  1  0.677223  0.433223  0.694184  1
  Ni  Ni295  1  0.685652  0.072292  0.708529  1
  Ni  Ni296  1  0.833641  0.123194  0.678249  1
  Ni  Ni297  1  0.010556  0.099890  0.694184  1
  Ni  Ni298  1  0.018985  0.738959  0.708529  1
  Ni  Ni299  1  0.166974  0.789861  0.678249  1
  Ni  Ni300  1  0.343890  0.766557  0.694184  1
  Ni  Ni301  1  0.852319  0.405626  0.708529  1
  Ni  Ni302  1  1.000307  0.456527  0.678249  1
  Ni  Ni303  1  0.177223  0.433223  0.694184  1
  Ni  Ni304  1  0.185652  0.072292  0.708529  1
  Ni  Ni305  1  0.333641  0.123194  0.678249  1
  Ni  Ni306  1  0.352319  0.405626  0.708529  1
  Ni  Ni307  1  0.553715  0.280974  0.684706  1
  Ni  Ni308  1  0.564491  0.921911  0.699682  1
  Ni  Ni309  1  0.712070  0.969089  0.667997  1
  Ni  Ni310  1  0.887049  0.947640  0.684706  1
  Ni  Ni311  1  0.545404  0.635756  0.667997  1
  Ni  Ni312  1  0.720382  0.614307  0.684706  1
  Ni  Ni313  1  0.731158  0.255244  0.699682  1
  Ni  Ni314  1  0.878737  0.302423  0.667997  1
  Ni  Ni315  1  0.053715  0.280974  0.684706  1
  Ni  Ni316  1  0.064491  0.921911  0.699682  1
  Ni  Ni317  1  0.212070  0.969089  0.667997  1
  Ni  Ni318  1  0.387049  0.947640  0.684706  1
  Ni  Ni319  1  0.897824  0.588577  0.699682  1
  Ni  Ni320  1  0.045404  0.635756  0.667997  1
  Ni  Ni321  1  0.220382  0.614307  0.684706  1
  Ni  Ni322  1  0.231158  0.255244  0.699682  1
  Ni  Ni323  1  0.378737  0.302423  0.667997  1
  Ni  Ni324  1  0.397824  0.588577  0.699682  1
