# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.84453721
_cell_length_b   10.84217417
_cell_length_c   50.02301044
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5852.14157903
_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  0.018907  0.352681  0.332298  1
  Ni  Ni2  1  0.352240  0.019348  0.332298  1
  Ni  Ni3  1  0.413178  0.413622  0.293980  1
  Ni  Ni4  1  0.685573  0.686014  0.332298  1
  Ni  Ni5  1  0.746512  0.080288  0.293980  1
  Ni  Ni6  1  0.715673  0.382765  0.311308  1
  Ni  Ni7  1  0.079845  0.746955  0.293980  1
  Ni  Ni8  1  0.049007  0.049431  0.311308  1
  Ni  Ni9  1  0.382340  0.716098  0.311308  1
  Ni  Ni10  1  0.882340  0.216098  0.311308  1
  Ni  Ni11  1  0.215673  0.882765  0.311308  1
  Ni  Ni12  1  0.185573  0.186014  0.332298  1
  Ni  Ni13  1  0.549007  0.549431  0.311308  1
  Ni  Ni14  1  0.518907  0.852681  0.332298  1
  Ni  Ni15  1  0.579845  0.246955  0.293980  1
  Ni  Ni16  1  0.852240  0.519348  0.332298  1
  Ni  Ni17  1  0.913178  0.913622  0.293980  1
  Ni  Ni18  1  0.246512  0.580288  0.293980  1
  Ni  Ni19  1  0.079845  0.246955  0.293980  1
  Ni  Ni20  1  0.413178  0.913622  0.293980  1
  Ni  Ni21  1  0.382340  0.216098  0.311308  1
  Ni  Ni22  1  0.746512  0.580288  0.293980  1
  Ni  Ni23  1  0.715673  0.882765  0.311308  1
  Ni  Ni24  1  0.685573  0.186014  0.332298  1
  Ni  Ni25  1  0.049007  0.549431  0.311308  1
  Ni  Ni26  1  0.018907  0.852681  0.332298  1
  Ni  Ni27  1  0.352240  0.519348  0.332298  1
  Ni  Ni28  1  0.913178  0.413622  0.293980  1
  Ni  Ni29  1  0.246512  0.080288  0.293980  1
  Ni  Ni30  1  0.215673  0.382765  0.311308  1
  Ni  Ni31  1  0.579845  0.746955  0.293980  1
  Ni  Ni32  1  0.549007  0.049431  0.311308  1
  Ni  Ni33  1  0.518907  0.352681  0.332298  1
  Ni  Ni34  1  0.882340  0.716098  0.311308  1
  Ni  Ni35  1  0.852240  0.019348  0.332298  1
  Ni  Ni36  1  0.185573  0.686014  0.332298  1
  Ni  Ni37  1  0.926756  0.260534  0.394549  1
  Ni  Ni38  1  0.260089  0.927201  0.394549  1
  Ni  Ni39  1  0.321286  0.321724  0.352035  1
  Ni  Ni40  1  0.593422  0.593868  0.394549  1
  Ni  Ni41  1  0.654619  0.988390  0.352035  1
  Ni  Ni42  1  0.624003  0.291114  0.373765  1
  Ni  Ni43  1  0.987952  0.655057  0.352035  1
  Ni  Ni44  1  0.957336  0.957781  0.373765  1
  Ni  Ni45  1  0.290669  0.624448  0.373765  1
  Ni  Ni46  1  0.790669  0.124448  0.373765  1
  Ni  Ni47  1  0.124003  0.791114  0.373765  1
  Ni  Ni48  1  0.093422  0.093868  0.394549  1
  Ni  Ni49  1  0.457336  0.457781  0.373765  1
  Ni  Ni50  1  0.426756  0.760534  0.394549  1
  Ni  Ni51  1  0.487952  0.155057  0.352035  1
  Ni  Ni52  1  0.760089  0.427201  0.394549  1
  Ni  Ni53  1  0.821286  0.821724  0.352035  1
  Ni  Ni54  1  0.154619  0.488390  0.352035  1
  Ni  Ni55  1  0.987952  0.155057  0.352035  1
  Ni  Ni56  1  0.321286  0.821724  0.352035  1
  Ni  Ni57  1  0.290669  0.124448  0.373765  1
  Ni  Ni58  1  0.654619  0.488390  0.352035  1
  Ni  Ni59  1  0.624003  0.791114  0.373765  1
  Ni  Ni60  1  0.593422  0.093868  0.394549  1
  Ni  Ni61  1  0.957336  0.457781  0.373765  1
  Ni  Ni62  1  0.926756  0.760534  0.394549  1
  Ni  Ni63  1  0.260089  0.427201  0.394549  1
  Ni  Ni64  1  0.821286  0.321724  0.352035  1
  Ni  Ni65  1  0.154619  0.988390  0.352035  1
  Ni  Ni66  1  0.124003  0.291114  0.373765  1
  Ni  Ni67  1  0.487952  0.655057  0.352035  1
  Ni  Ni68  1  0.457336  0.957781  0.373765  1
  Ni  Ni69  1  0.426756  0.260534  0.394549  1
  Ni  Ni70  1  0.790669  0.624448  0.373765  1
  Ni  Ni71  1  0.760089  0.927201  0.394549  1
  Ni  Ni72  1  0.093422  0.593868  0.394549  1
  Ni  Ni73  1  0.836215  0.170002  0.457506  1
  Ni  Ni74  1  0.169549  0.836669  0.457506  1
  Ni  Ni75  1  0.229926  0.230375  0.415647  1
  Ni  Ni76  1  0.502882  0.503335  0.457506  1
  Ni  Ni77  1  0.563260  0.897041  0.415647  1
  Ni  Ni78  1  0.533076  0.200194  0.436523  1
  Ni  Ni79  1  0.896593  0.563708  0.415647  1
  Ni  Ni80  1  0.866410  0.866860  0.436523  1
  Ni  Ni81  1  0.199743  0.533527  0.436523  1
  Ni  Ni82  1  0.699743  0.033527  0.436523  1
  Ni  Ni83  1  0.033076  0.700194  0.436523  1
  Ni  Ni84  1  1.002882  1.003335  0.457506  1
  Ni  Ni85  1  0.366410  0.366860  0.436523  1
  Ni  Ni86  1  0.336215  0.670002  0.457506  1
  Ni  Ni87  1  0.396593  0.063708  0.415647  1
  Ni  Ni88  1  0.669549  0.336669  0.457506  1
  Ni  Ni89  1  0.729926  0.730375  0.415647  1
  Ni  Ni90  1  0.063260  0.397041  0.415647  1
  Ni  Ni91  1  0.896593  0.063708  0.415647  1
  Ni  Ni92  1  0.229926  0.730375  0.415647  1
  Ni  Ni93  1  0.199743  0.033527  0.436523  1
  Ni  Ni94  1  0.563260  0.397041  0.415647  1
  Ni  Ni95  1  0.533076  0.700194  0.436523  1
  Ni  Ni96  1  0.502882  1.003335  0.457506  1
  Ni  Ni97  1  0.866410  0.366860  0.436523  1
  Ni  Ni98  1  0.836215  0.670002  0.457506  1
  Ni  Ni99  1  0.169549  0.336669  0.457506  1
  Ni  Ni100  1  0.729926  0.230375  0.415647  1
  Ni  Ni101  1  0.063260  0.897041  0.415647  1
  Ni  Ni102  1  0.033076  0.200194  0.436523  1
  Ni  Ni103  1  0.396593  0.563708  0.415647  1
  Ni  Ni104  1  0.366410  0.866860  0.436523  1
  Ni  Ni105  1  0.336215  0.170002  0.457506  1
  Ni  Ni106  1  0.699743  0.533527  0.436523  1
  Ni  Ni107  1  0.669549  0.836669  0.457506  1
  Ni  Ni108  1  1.002882  0.503335  0.457506  1
  Ni  Ni109  1  0.745517  0.079311  0.520399  1
  Ni  Ni110  1  0.078851  0.745977  0.520399  1
  Ni  Ni111  1  0.139317  0.139772  0.478461  1
  Ni  Ni112  1  0.412184  0.412644  0.520399  1
  Ni  Ni113  1  0.472650  0.806439  0.478461  1
  Ni  Ni114  1  0.442417  0.109541  0.499430  1
  Ni  Ni115  1  0.805983  0.473105  0.478461  1
  Ni  Ni116  1  0.775750  0.776208  0.499430  1
  Ni  Ni117  1  0.109084  0.442875  0.499430  1
  Ni  Ni118  1  0.609084  0.942875  0.499430  1
  Ni  Ni119  1  0.942417  0.609541  0.499430  1
  Ni  Ni120  1  0.912184  0.912644  0.520399  1
  Ni  Ni121  1  0.275750  0.276208  0.499430  1
  Ni  Ni122  1  0.245517  0.579311  0.520399  1
  Ni  Ni123  1  0.305983  0.973105  0.478461  1
  Ni  Ni124  1  0.578851  0.245977  0.520399  1
  Ni  Ni125  1  0.639317  0.639772  0.478461  1
  Ni  Ni126  1  0.972650  0.306439  0.478461  1
  Ni  Ni127  1  0.805983  0.973105  0.478461  1
  Ni  Ni128  1  0.139317  0.639772  0.478461  1
  Ni  Ni129  1  0.109084  0.942875  0.499430  1
  Ni  Ni130  1  0.472650  0.306439  0.478461  1
  Ni  Ni131  1  0.442417  0.609541  0.499430  1
  Ni  Ni132  1  0.412184  0.912644  0.520399  1
  Ni  Ni133  1  0.775750  0.276208  0.499430  1
  Ni  Ni134  1  0.745517  0.579311  0.520399  1
  Ni  Ni135  1  0.078851  0.245977  0.520399  1
  Ni  Ni136  1  0.639317  0.139772  0.478461  1
  Ni  Ni137  1  0.972650  0.806439  0.478461  1
  Ni  Ni138  1  0.942417  0.109541  0.499430  1
  Ni  Ni139  1  0.305983  0.473105  0.478461  1
  Ni  Ni140  1  0.275750  0.776208  0.499430  1
  Ni  Ni141  1  0.245517  0.079311  0.520399  1
  Ni  Ni142  1  0.609084  0.442875  0.499430  1
  Ni  Ni143  1  0.578851  0.745977  0.520399  1
  Ni  Ni144  1  0.912184  0.412644  0.520399  1
  Ni  Ni145  1  0.654907  0.988708  0.583212  1
  Ni  Ni146  1  0.988241  0.655374  0.583212  1
  Ni  Ni147  1  0.048618  0.049081  0.541353  1
  Ni  Ni148  1  0.321574  0.322041  0.583212  1
  Ni  Ni149  1  0.381952  0.715747  0.541353  1
  Ni  Ni150  1  0.351757  0.018889  0.562336  1
  Ni  Ni151  1  0.715285  0.382414  0.541353  1
  Ni  Ni152  1  0.685091  0.685556  0.562336  1
  Ni  Ni153  1  0.018424  0.352222  0.562336  1
  Ni  Ni154  1  0.518424  0.852222  0.562336  1
  Ni  Ni155  1  0.851757  0.518889  0.562336  1
  Ni  Ni156  1  0.821574  0.822041  0.583212  1
  Ni  Ni157  1  0.185091  0.185556  0.562336  1
  Ni  Ni158  1  0.154907  0.488708  0.583212  1
  Ni  Ni159  1  0.215285  0.882414  0.541353  1
  Ni  Ni160  1  0.488241  0.155374  0.583212  1
  Ni  Ni161  1  0.548618  0.549081  0.541353  1
  Ni  Ni162  1  0.881952  0.215747  0.541353  1
  Ni  Ni163  1  0.715285  0.882414  0.541353  1
  Ni  Ni164  1  0.048618  0.549081  0.541353  1
  Ni  Ni165  1  0.018424  0.852222  0.562336  1
  Ni  Ni166  1  0.381952  0.215747  0.541353  1
  Ni  Ni167  1  0.351757  0.518889  0.562336  1
  Ni  Ni168  1  0.321574  0.822041  0.583212  1
  Ni  Ni169  1  0.685091  0.185556  0.562336  1
  Ni  Ni170  1  0.654907  0.488708  0.583212  1
  Ni  Ni171  1  0.988241  0.155374  0.583212  1
  Ni  Ni172  1  0.548618  0.049081  0.541353  1
  Ni  Ni173  1  0.881952  0.715747  0.541353  1
  Ni  Ni174  1  0.851757  0.018889  0.562336  1
  Ni  Ni175  1  0.215285  0.382414  0.541353  1
  Ni  Ni176  1  0.185091  0.685556  0.562336  1
  Ni  Ni177  1  0.154907  0.988708  0.583212  1
  Ni  Ni178  1  0.518424  0.352222  0.562336  1
  Ni  Ni179  1  0.488241  0.655374  0.583212  1
  Ni  Ni180  1  0.821574  0.322041  0.583212  1
  Ni  Ni181  1  0.563548  0.897359  0.646825  1
  Ni  Ni182  1  0.896881  0.564026  0.646825  1
  Ni  Ni183  1  0.958078  0.958548  0.604310  1
  Ni  Ni184  1  0.230215  0.230692  0.646825  1
  Ni  Ni185  1  0.291412  0.625215  0.604310  1
  Ni  Ni186  1  0.260831  0.927968  0.625094  1
  Ni  Ni187  1  0.624745  0.291882  0.604310  1
  Ni  Ni188  1  0.594164  0.594635  0.625094  1
  Ni  Ni189  1  0.927498  0.261301  0.625094  1
  Ni  Ni190  1  0.427498  0.761301  0.625094  1
  Ni  Ni191  1  0.760831  0.427968  0.625094  1
  Ni  Ni192  1  0.730215  0.730692  0.646825  1
  Ni  Ni193  1  0.094164  0.094635  0.625094  1
  Ni  Ni194  1  0.063548  0.397359  0.646825  1
  Ni  Ni195  1  0.124745  0.791882  0.604310  1
  Ni  Ni196  1  0.396881  0.064026  0.646825  1
  Ni  Ni197  1  0.458078  0.458548  0.604310  1
  Ni  Ni198  1  0.791412  0.125215  0.604310  1
  Ni  Ni199  1  0.624745  0.791882  0.604310  1
  Ni  Ni200  1  0.958078  0.458548  0.604310  1
  Ni  Ni201  1  0.927498  0.761301  0.625094  1
  Ni  Ni202  1  0.291412  0.125215  0.604310  1
  Ni  Ni203  1  0.260831  0.427968  0.625094  1
  Ni  Ni204  1  0.230215  0.730692  0.646825  1
  Ni  Ni205  1  0.594164  0.094635  0.625094  1
  Ni  Ni206  1  0.563548  0.397359  0.646825  1
  Ni  Ni207  1  0.896881  0.064026  0.646825  1
  Ni  Ni208  1  0.458078  0.958548  0.604310  1
  Ni  Ni209  1  0.791412  0.625215  0.604310  1
  Ni  Ni210  1  0.760831  0.927968  0.625094  1
  Ni  Ni211  1  0.124745  0.291882  0.604310  1
  Ni  Ni212  1  0.094164  0.594635  0.625094  1
  Ni  Ni213  1  0.063548  0.897359  0.646825  1
  Ni  Ni214  1  0.427498  0.261301  0.625094  1
  Ni  Ni215  1  0.396881  0.564026  0.646825  1
  Ni  Ni216  1  0.730215  0.230692  0.646825  1
  Ni  Ni217  1  0.471656  0.805461  0.704879  1
  Ni  Ni218  1  0.804989  0.472128  0.704879  1
  Ni  Ni219  1  0.865927  0.866402  0.666561  1
  Ni  Ni220  1  0.138322  0.138794  0.704879  1
  Ni  Ni221  1  0.199260  0.533068  0.666561  1
  Ni  Ni222  1  0.169161  0.836318  0.687551  1
  Ni  Ni223  1  0.532594  0.199735  0.666561  1
  Ni  Ni224  1  0.502494  0.502984  0.687551  1
  Ni  Ni225  1  0.835827  0.169651  0.687551  1
  Ni  Ni226  1  0.335827  0.669651  0.687551  1
  Ni  Ni227  1  0.669161  0.336318  0.687551  1
  Ni  Ni228  1  0.638322  0.638794  0.704879  1
  Ni  Ni229  1  1.002494  1.002984  0.687551  1
  Ni  Ni230  1  0.971656  0.305461  0.704879  1
  Ni  Ni231  1  0.032594  0.699735  0.666561  1
  Ni  Ni232  1  0.304989  0.972128  0.704879  1
  Ni  Ni233  1  0.365927  0.366402  0.666561  1
  Ni  Ni234  1  0.699260  0.033068  0.666561  1
  Ni  Ni235  1  0.532594  0.699735  0.666561  1
  Ni  Ni236  1  0.865927  0.366402  0.666561  1
  Ni  Ni237  1  0.835827  0.669651  0.687551  1
  Ni  Ni238  1  0.199260  0.033068  0.666561  1
  Ni  Ni239  1  0.169161  0.336318  0.687551  1
  Ni  Ni240  1  0.138322  0.638794  0.704879  1
  Ni  Ni241  1  0.502494  1.002984  0.687551  1
  Ni  Ni242  1  0.471656  0.305461  0.704879  1
  Ni  Ni243  1  0.804989  0.972128  0.704879  1
  Ni  Ni244  1  0.365927  0.866402  0.666561  1
  Ni  Ni245  1  0.699260  0.533068  0.666561  1
  Ni  Ni246  1  0.669161  0.836318  0.687551  1
  Ni  Ni247  1  0.032594  0.199735  0.666561  1
  Ni  Ni248  1  1.002494  0.502984  0.687551  1
  Ni  Ni249  1  0.971656  0.805461  0.704879  1
  Ni  Ni250  1  0.335827  0.169651  0.687551  1
  Ni  Ni251  1  0.304989  0.472128  0.704879  1
  Ni  Ni252  1  0.638322  0.138794  0.704879  1
