# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.76763705
_cell_length_b   13.21191723
_cell_length_c   46.20842384
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.52616594
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   6270.31550868
_cell_formula_units_Z   252
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  0.809948  0.663903  0.293727  1
  Ni  Ni2  1  0.143281  0.330570  0.293727  1
  Ni  Ni3  1  0.203341  0.674536  0.283881  1
  Ni  Ni4  1  0.421088  0.652861  0.302229  1
  Ni  Ni5  1  0.754422  0.319528  0.302229  1
  Ni  Ni6  1  0.087755  0.986195  0.302229  1
  Ni  Ni7  1  0.476614  0.997236  0.293727  1
  Ni  Ni8  1  0.536674  0.341202  0.283881  1
  Ni  Ni9  1  0.870007  0.007869  0.283881  1
  Ni  Ni10  1  0.830063  0.479800  0.308589  1
  Ni  Ni11  1  0.163396  0.146466  0.308589  1
  Ni  Ni12  1  0.219886  0.490257  0.298810  1
  Ni  Ni13  1  0.609161  0.499377  0.289951  1
  Ni  Ni14  1  0.942495  0.166044  0.289951  1
  Ni  Ni15  1  0.275828  0.832710  0.289951  1
  Ni  Ni16  1  0.496729  0.813133  0.308589  1
  Ni  Ni17  1  0.553219  0.156924  0.298810  1
  Ni  Ni18  1  0.886552  0.823590  0.298810  1
  Ni  Ni19  1  0.637827  0.634405  0.323330  1
  Ni  Ni20  1  0.971161  0.301072  0.323330  1
  Ni  Ni21  1  0.028036  0.643033  0.312414  1
  Ni  Ni22  1  0.245741  0.626396  0.334040  1
  Ni  Ni23  1  0.579075  0.293063  0.334040  1
  Ni  Ni24  1  0.912408  0.959730  0.334040  1
  Ni  Ni25  1  0.304494  0.967739  0.323330  1
  Ni  Ni26  1  0.361369  0.309700  0.312414  1
  Ni  Ni27  1  0.694703  0.976366  0.312414  1
  Ni  Ni28  1  0.653635  0.452415  0.340423  1
  Ni  Ni29  1  0.986969  0.119082  0.340423  1
  Ni  Ni30  1  0.044129  0.463611  0.329845  1
  Ni  Ni31  1  0.433781  0.472795  0.319778  1
  Ni  Ni32  1  0.767114  0.139461  0.319778  1
  Ni  Ni33  1  0.100447  0.806128  0.319778  1
  Ni  Ni34  1  0.320302  0.785749  0.340423  1
  Ni  Ni35  1  0.377462  0.130278  0.329845  1
  Ni  Ni36  1  0.710795  0.796945  0.329845  1
  Ni  Ni37  1  0.463693  0.607508  0.354321  1
  Ni  Ni38  1  0.797026  0.274174  0.354321  1
  Ni  Ni39  1  0.854297  0.616666  0.344336  1
  Ni  Ni40  1  0.071691  0.598917  0.364732  1
  Ni  Ni41  1  0.405024  0.265584  0.364732  1
  Ni  Ni42  1  0.738358  0.932250  0.364732  1
  Ni  Ni43  1  0.130360  0.940841  0.354321  1
  Ni  Ni44  1  0.187630  0.283333  0.344336  1
  Ni  Ni45  1  0.520963  0.949999  0.344336  1
  Ni  Ni46  1  0.478088  0.426383  0.371683  1
  Ni  Ni47  1  0.811421  0.093049  0.371683  1
  Ni  Ni48  1  0.869815  0.435145  0.361048  1
  Ni  Ni49  1  0.260894  0.443720  0.350637  1
  Ni  Ni50  1  0.594227  0.110387  0.350637  1
  Ni  Ni51  1  0.927560  0.777053  0.350637  1
  Ni  Ni52  1  0.144754  0.759716  0.371683  1
  Ni  Ni53  1  0.203148  0.101811  0.361048  1
  Ni  Ni54  1  0.536481  0.768478  0.361048  1
  Ni  Ni55  1  0.288922  0.580434  0.385738  1
  Ni  Ni56  1  0.622256  0.247100  0.385738  1
  Ni  Ni57  1  0.680228  0.589454  0.375272  1
  Ni  Ni58  1  0.897383  0.571553  0.396191  1
  Ni  Ni59  1  0.230717  0.238219  0.396191  1
  Ni  Ni60  1  0.564050  0.904886  0.396191  1
  Ni  Ni61  1  0.955589  0.913767  0.385738  1
  Ni  Ni62  1  0.013562  0.256120  0.375272  1
  Ni  Ni63  1  0.346895  0.922787  0.375272  1
  Ni  Ni64  1  0.303859  0.398955  0.402948  1
  Ni  Ni65  1  0.637192  0.065622  0.402948  1
  Ni  Ni66  1  0.695604  0.407790  0.392542  1
  Ni  Ni67  1  0.086555  0.417316  0.382024  1
  Ni  Ni68  1  0.419888  0.083983  0.382024  1
  Ni  Ni69  1  0.753221  0.750650  0.382024  1
  Ni  Ni70  1  0.970525  0.732289  0.402948  1
  Ni  Ni71  1  0.028938  0.074457  0.392542  1
  Ni  Ni72  1  0.362271  0.741124  0.392542  1
  Ni  Ni73  1  0.114504  0.553568  0.416986  1
  Ni  Ni74  1  0.447837  0.220235  0.416986  1
  Ni  Ni75  1  0.506067  0.562475  0.406584  1
  Ni  Ni76  1  0.723126  0.544450  0.427467  1
  Ni  Ni77  1  0.056459  0.211117  0.427467  1
  Ni  Ni78  1  0.389792  0.877784  0.427467  1
  Ni  Ni79  1  0.781171  0.886902  0.416986  1
  Ni  Ni80  1  0.839400  0.229142  0.406584  1
  Ni  Ni81  1  0.172733  0.895808  0.406584  1
  Ni  Ni82  1  0.129647  0.371965  0.434300  1
  Ni  Ni83  1  0.462980  0.038632  0.434300  1
  Ni  Ni84  1  0.521131  0.380897  0.423877  1
  Ni  Ni85  1  0.912585  0.389934  0.413387  1
  Ni  Ni86  1  0.245918  0.056601  0.413387  1
  Ni  Ni87  1  0.579252  0.723268  0.413387  1
  Ni  Ni88  1  0.796314  0.705298  0.434300  1
  Ni  Ni89  1  0.854464  0.047564  0.423877  1
  Ni  Ni90  1  0.187797  0.714231  0.423877  1
  Ni  Ni91  1  0.940259  0.526463  0.448348  1
  Ni  Ni92  1  0.273593  0.193130  0.448348  1
  Ni  Ni93  1  0.331709  0.535436  0.437904  1
  Ni  Ni94  1  0.548871  0.517406  0.458791  1
  Ni  Ni95  1  0.882204  0.184073  0.458791  1
  Ni  Ni96  1  0.215538  0.850739  0.458791  1
  Ni  Ni97  1  0.606926  0.859796  0.448348  1
  Ni  Ni98  1  0.665042  0.202103  0.437904  1
  Ni  Ni99  1  0.998375  0.868769  0.437904  1
  Ni  Ni100  1  0.955457  0.344840  0.465644  1
  Ni  Ni101  1  0.288791  0.011506  0.465644  1
  Ni  Ni102  1  0.346849  0.353860  0.455199  1
  Ni  Ni103  1  0.738328  0.362842  0.444770  1
  Ni  Ni104  1  0.071661  0.029508  0.444770  1
  Ni  Ni105  1  0.404994  0.696175  0.444770  1
  Ni  Ni106  1  0.622124  0.678173  0.465644  1
  Ni  Ni107  1  0.680183  0.020526  0.455199  1
  Ni  Ni108  1  0.013516  0.687193  0.455199  1
  Ni  Ni109  1  0.766019  0.499395  0.479677  1
  Ni  Ni110  1  0.099353  0.166062  0.479677  1
  Ni  Ni111  1  0.157421  0.508440  0.469215  1
  Ni  Ni112  1  0.374605  0.490375  0.490117  1
  Ni  Ni113  1  0.707939  0.157042  0.490117  1
  Ni  Ni114  1  0.041272  0.823709  0.490117  1
  Ni  Ni115  1  0.432686  0.832728  0.479677  1
  Ni  Ni116  1  0.490755  0.175106  0.469215  1
  Ni  Ni117  1  0.824088  0.841773  0.469215  1
  Ni  Ni118  1  0.781219  0.317770  0.496990  1
  Ni  Ni119  1  0.114552  0.984436  0.496990  1
  Ni  Ni120  1  0.172608  0.326827  0.486535  1
  Ni  Ni121  1  0.564045  0.335803  0.476105  1
  Ni  Ni122  1  0.897378  1.002470  0.476105  1
  Ni  Ni123  1  0.230711  0.669137  0.476105  1
  Ni  Ni124  1  0.447886  0.651103  0.496990  1
  Ni  Ni125  1  0.505941  0.993494  0.486535  1
  Ni  Ni126  1  0.839274  0.660160  0.486535  1
  Ni  Ni127  1  0.591786  0.472323  0.511010  1
  Ni  Ni128  1  0.925120  0.138990  0.511010  1
  Ni  Ni129  1  0.983175  0.481381  0.500555  1
  Ni  Ni130  1  0.200349  0.463347  0.521441  1
  Ni  Ni131  1  0.533683  0.130014  0.521441  1
  Ni  Ni132  1  0.867016  0.796681  0.521441  1
  Ni  Ni133  1  0.258453  0.805657  0.511010  1
  Ni  Ni134  1  0.316508  0.148048  0.500555  1
  Ni  Ni135  1  0.649841  0.814714  0.500555  1
  Ni  Ni136  1  0.606973  0.290711  0.528330  1
  Ni  Ni137  1  0.940306  0.957377  0.528330  1
  Ni  Ni138  1  0.998375  0.299756  0.517869  1
  Ni  Ni139  1  0.389789  0.308775  0.507429  1
  Ni  Ni140  1  0.723122  0.975442  0.507429  1
  Ni  Ni141  1  0.056455  0.642109  0.507429  1
  Ni  Ni142  1  0.273639  0.624044  0.528330  1
  Ni  Ni143  1  0.331708  0.966422  0.517869  1
  Ni  Ni144  1  0.665041  0.633089  0.517869  1
  Ni  Ni145  1  0.417545  0.445291  0.542346  1
  Ni  Ni146  1  0.750878  0.111958  0.542346  1
  Ni  Ni147  1  0.808937  0.454311  0.531902  1
  Ni  Ni148  1  0.026066  0.436309  0.552775  1
  Ni  Ni149  1  0.359399  0.102975  0.552775  1
  Ni  Ni150  1  0.692733  0.769642  0.552775  1
  Ni  Ni151  1  0.084211  0.778624  0.542346  1
  Ni  Ni152  1  0.142270  0.120978  0.531902  1
  Ni  Ni153  1  0.475603  0.787644  0.531902  1
  Ni  Ni154  1  0.432685  0.263714  0.559641  1
  Ni  Ni155  1  0.766018  0.930381  0.559641  1
  Ni  Ni156  1  0.824134  0.272687  0.549197  1
  Ni  Ni157  1  0.215523  0.281745  0.538754  1
  Ni  Ni158  1  0.548856  0.948411  0.538754  1
  Ni  Ni159  1  0.882190  0.615078  0.538754  1
  Ni  Ni160  1  0.099352  0.597048  0.559641  1
  Ni  Ni161  1  0.157468  0.939354  0.549197  1
  Ni  Ni162  1  0.490801  0.606021  0.549197  1
  Ni  Ni163  1  0.243263  0.418253  0.573669  1
  Ni  Ni164  1  0.576596  0.084920  0.573669  1
  Ni  Ni165  1  0.634747  0.427185  0.563246  1
  Ni  Ni166  1  0.851809  0.409216  0.584158  1
  Ni  Ni167  1  0.185142  0.075883  0.584158  1
  Ni  Ni168  1  0.518476  0.742550  0.584158  1
  Ni  Ni169  1  0.909930  0.751586  0.573669  1
  Ni  Ni170  1  0.968080  0.093852  0.563246  1
  Ni  Ni171  1  0.301413  0.760519  0.563246  1
  Ni  Ni172  1  0.258327  0.236675  0.590962  1
  Ni  Ni173  1  0.591660  0.903342  0.590962  1
  Ni  Ni174  1  0.649890  0.245582  0.580559  1
  Ni  Ni175  1  0.041268  0.254700  0.570079  1
  Ni  Ni176  1  0.374602  0.921367  0.570079  1
  Ni  Ni177  1  0.707935  0.588033  0.570079  1
  Ni  Ni178  1  0.924994  0.570009  0.590962  1
  Ni  Ni179  1  0.983223  0.912249  0.580559  1
  Ni  Ni180  1  0.316557  0.578915  0.580559  1
  Ni  Ni181  1  0.068790  0.391360  0.605003  1
  Ni  Ni182  1  0.402123  0.058027  0.605003  1
  Ni  Ni183  1  0.460535  0.400195  0.594597  1
  Ni  Ni184  1  0.677839  0.381834  0.615521  1
  Ni  Ni185  1  0.011173  0.048501  0.615521  1
  Ni  Ni186  1  0.344506  0.715167  0.615521  1
  Ni  Ni187  1  0.735456  0.724694  0.605003  1
  Ni  Ni188  1  0.793869  0.066862  0.594597  1
  Ni  Ni189  1  0.127202  0.733528  0.594597  1
  Ni  Ni190  1  0.084165  0.209697  0.622273  1
  Ni  Ni191  1  0.417499  0.876364  0.622273  1
  Ni  Ni192  1  0.475472  0.218717  0.611808  1
  Ni  Ni193  1  0.867010  0.227598  0.601354  1
  Ni  Ni194  1  0.200344  0.894265  0.601354  1
  Ni  Ni195  1  0.533677  0.560931  0.601354  1
  Ni  Ni196  1  0.750832  0.543030  0.622273  1
  Ni  Ni197  1  0.808805  0.885383  0.611808  1
  Ni  Ni198  1  0.142138  0.552050  0.611808  1
  Ni  Ni199  1  0.894579  0.364006  0.636497  1
  Ni  Ni200  1  0.227913  0.030672  0.636497  1
  Ni  Ni201  1  0.286306  0.372768  0.625863  1
  Ni  Ni202  1  0.503500  0.355431  0.646908  1
  Ni  Ni203  1  0.836834  0.022097  0.646908  1
  Ni  Ni204  1  0.170167  0.688764  0.646908  1
  Ni  Ni205  1  0.561246  0.697339  0.636497  1
  Ni  Ni206  1  0.619639  0.039434  0.625863  1
  Ni  Ni207  1  0.952973  0.706101  0.625863  1
  Ni  Ni208  1  0.910097  0.182485  0.653209  1
  Ni  Ni209  1  0.243431  0.849151  0.653209  1
  Ni  Ni210  1  0.300701  0.191643  0.643225  1
  Ni  Ni211  1  0.692703  0.200234  0.632813  1
  Ni  Ni212  1  0.026036  0.866900  0.632813  1
  Ni  Ni213  1  0.359369  0.533567  0.632813  1
  Ni  Ni214  1  0.576764  0.515818  0.653209  1
  Ni  Ni215  1  0.634034  0.858309  0.643225  1
  Ni  Ni216  1  0.967368  0.524976  0.643225  1
  Ni  Ni217  1  0.720265  0.335539  0.667700  1
  Ni  Ni218  1  0.053598  1.002206  0.667700  1
  Ni  Ni219  1  0.110758  0.346735  0.657122  1
  Ni  Ni220  1  0.330613  0.326356  0.677768  1
  Ni  Ni221  1  0.663947  0.993022  0.677768  1
  Ni  Ni222  1  0.997280  0.659689  0.677768  1
  Ni  Ni223  1  0.386932  0.668873  0.667700  1
  Ni  Ni224  1  0.444092  0.013402  0.657122  1
  Ni  Ni225  1  0.777425  0.680068  0.657122  1
  Ni  Ni226  1  0.736358  0.156118  0.685132  1
  Ni  Ni227  1  0.069691  0.822784  0.685132  1
  Ni  Ni228  1  0.126566  0.164745  0.674215  1
  Ni  Ni229  1  0.518653  0.172754  0.663505  1
  Ni  Ni230  1  0.851986  0.839421  0.663505  1
  Ni  Ni231  1  0.185319  0.506087  0.663505  1
  Ni  Ni232  1  0.403025  0.489451  0.685132  1
  Ni  Ni233  1  0.459900  0.831412  0.674215  1
  Ni  Ni234  1  0.793233  0.498079  0.674215  1
  Ni  Ni235  1  0.544508  0.308893  0.698736  1
  Ni  Ni236  1  0.877841  0.975560  0.698736  1
  Ni  Ni237  1  0.934331  0.319351  0.688956  1
  Ni  Ni238  1  0.155233  0.299773  0.707595  1
  Ni  Ni239  1  0.488566  0.966440  0.707595  1
  Ni  Ni240  1  0.821899  0.633107  0.707595  1
  Ni  Ni241  1  0.211175  0.642227  0.698736  1
  Ni  Ni242  1  0.267664  0.986018  0.688956  1
  Ni  Ni243  1  0.600998  0.652684  0.688956  1
  Ni  Ni244  1  0.561053  0.124615  0.713664  1
  Ni  Ni245  1  0.894387  0.791282  0.713664  1
  Ni  Ni246  1  0.954446  0.135247  0.703818  1
  Ni  Ni247  1  0.343306  0.146289  0.695317  1
  Ni  Ni248  1  0.676639  0.812956  0.695317  1
  Ni  Ni249  1  0.009972  0.479622  0.695317  1
  Ni  Ni250  1  0.227720  0.457948  0.713664  1
  Ni  Ni251  1  0.287780  0.801914  0.703818  1
  Ni  Ni252  1  0.621113  0.468581  0.703818  1
