# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.83727646
_cell_length_b   11.02076021
_cell_length_c   46.50688541
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.57705842
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5351.43819001
_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  0.291682  0.186933  0.294072  1
  Ni  Ni2  1  0.958349  0.186933  0.294072  1
  Ni  Ni3  1  0.887566  0.714787  0.282775  1
  Ni  Ni4  1  0.625015  0.186933  0.294072  1
  Ni  Ni5  1  0.554233  0.714787  0.282775  1
  Ni  Ni6  1  0.220899  0.714787  0.282775  1
  Ni  Ni7  1  0.104155  0.923261  0.299465  1
  Ni  Ni8  1  0.770822  0.923261  0.299465  1
  Ni  Ni9  1  0.698882  0.450514  0.288286  1
  Ni  Ni10  1  0.437488  0.923261  0.299465  1
  Ni  Ni11  1  0.365548  0.450514  0.288286  1
  Ni  Ni12  1  0.032215  0.450514  0.288286  1
  Ni  Ni13  1  0.095585  0.129937  0.317592  1
  Ni  Ni14  1  0.762252  0.129937  0.317592  1
  Ni  Ni15  1  0.692503  0.658159  0.306081  1
  Ni  Ni16  1  0.428918  0.129937  0.317592  1
  Ni  Ni17  1  0.359169  0.658159  0.306081  1
  Ni  Ni18  1  0.025836  0.658159  0.306081  1
  Ni  Ni19  1  0.908287  0.867282  0.324096  1
  Ni  Ni20  1  0.574953  0.867282  0.324096  1
  Ni  Ni21  1  0.505084  0.394661  0.311812  1
  Ni  Ni22  1  0.241620  0.867282  0.324096  1
  Ni  Ni23  1  0.171751  0.394661  0.311812  1
  Ni  Ni24  1  0.838417  0.394661  0.311812  1
  Ni  Ni25  1  0.900365  0.073094  0.342696  1
  Ni  Ni26  1  0.567032  0.073094  0.342696  1
  Ni  Ni27  1  0.497483  0.600681  0.330970  1
  Ni  Ni28  1  0.233698  0.073094  0.342696  1
  Ni  Ni29  1  0.164150  0.600681  0.330970  1
  Ni  Ni30  1  0.830817  0.600681  0.330970  1
  Ni  Ni31  1  0.712598  0.809379  0.348581  1
  Ni  Ni32  1  0.379265  0.809379  0.348581  1
  Ni  Ni33  1  0.309123  0.336664  0.336779  1
  Ni  Ni34  1  0.045932  0.809379  0.348581  1
  Ni  Ni35  1  0.975790  0.336664  0.336779  1
  Ni  Ni36  1  0.642456  0.336664  0.336779  1
  Ni  Ni37  1  0.705671  0.017386  0.366839  1
  Ni  Ni38  1  0.372338  0.017386  0.366839  1
  Ni  Ni39  1  0.302644  0.544804  0.354827  1
  Ni  Ni40  1  0.039005  0.017386  0.366839  1
  Ni  Ni41  1  0.969311  0.544804  0.354827  1
  Ni  Ni42  1  0.635977  0.544804  0.354827  1
  Ni  Ni43  1  0.518023  0.753273  0.372948  1
  Ni  Ni44  1  0.184690  0.753273  0.372948  1
  Ni  Ni45  1  0.114892  0.280874  0.360721  1
  Ni  Ni46  1  0.851357  0.753273  0.372948  1
  Ni  Ni47  1  0.781558  0.280874  0.360721  1
  Ni  Ni48  1  0.448225  0.280874  0.360721  1
  Ni  Ni49  1  0.509997  0.960070  0.391342  1
  Ni  Ni50  1  0.176664  0.960070  0.391342  1
  Ni  Ni51  1  0.107385  0.488208  0.379341  1
  Ni  Ni52  1  0.843331  0.960070  0.391342  1
  Ni  Ni53  1  0.774051  0.488208  0.379341  1
  Ni  Ni54  1  0.440718  0.488208  0.379341  1
  Ni  Ni55  1  0.322836  0.696025  0.397399  1
  Ni  Ni56  1  0.989503  0.696025  0.397399  1
  Ni  Ni57  1  0.920159  0.224162  0.385334  1
  Ni  Ni58  1  0.656169  0.696025  0.397399  1
  Ni  Ni59  1  0.586826  0.224162  0.385334  1
  Ni  Ni60  1  0.253493  0.224162  0.385334  1
  Ni  Ni61  1  0.314982  0.903589  0.415718  1
  Ni  Ni62  1  0.981649  0.903589  0.415718  1
  Ni  Ni63  1  0.912249  0.431575  0.403602  1
  Ni  Ni64  1  0.648315  0.903589  0.415718  1
  Ni  Ni65  1  0.578915  0.431575  0.403602  1
  Ni  Ni66  1  0.245582  0.431575  0.403602  1
  Ni  Ni67  1  0.127908  0.639524  0.421838  1
  Ni  Ni68  1  0.794575  0.639524  0.421838  1
  Ni  Ni69  1  0.725275  0.167629  0.409639  1
  Ni  Ni70  1  0.461241  0.639524  0.421838  1
  Ni  Ni71  1  0.391941  0.167629  0.409639  1
  Ni  Ni72  1  0.058608  0.167629  0.409639  1
  Ni  Ni73  1  0.119863  0.846839  0.440166  1
  Ni  Ni74  1  0.786529  0.846839  0.440166  1
  Ni  Ni75  1  0.717294  0.375064  0.428054  1
  Ni  Ni76  1  0.453196  0.846839  0.440166  1
  Ni  Ni77  1  0.383961  0.375064  0.428054  1
  Ni  Ni78  1  0.050627  0.375064  0.428054  1
  Ni  Ni79  1  0.932872  0.582739  0.446257  1
  Ni  Ni80  1  0.599539  0.582739  0.446257  1
  Ni  Ni81  1  0.530293  0.110915  0.434096  1
  Ni  Ni82  1  0.266205  0.582739  0.446257  1
  Ni  Ni83  1  0.196959  0.110915  0.434096  1
  Ni  Ni84  1  0.863626  0.110915  0.434096  1
  Ni  Ni85  1  0.924887  0.790249  0.464582  1
  Ni  Ni86  1  0.591553  0.790249  0.464582  1
  Ni  Ni87  1  0.522296  0.318417  0.452421  1
  Ni  Ni88  1  0.258220  0.790249  0.464582  1
  Ni  Ni89  1  0.188963  0.318417  0.452421  1
  Ni  Ni90  1  0.855630  0.318417  0.452421  1
  Ni  Ni91  1  0.737896  0.526133  0.470685  1
  Ni  Ni92  1  0.404563  0.526133  0.470685  1
  Ni  Ni93  1  0.335338  0.054325  0.458491  1
  Ni  Ni94  1  0.071229  0.526133  0.470685  1
  Ni  Ni95  1  1.002004  0.054325  0.458491  1
  Ni  Ni96  1  0.668671  0.054325  0.458491  1
  Ni  Ni97  1  0.729869  0.733574  0.489010  1
  Ni  Ni98  1  0.396535  0.733574  0.489010  1
  Ni  Ni99  1  0.327321  0.261798  0.476841  1
  Ni  Ni100  1  0.063202  0.733574  0.489010  1
  Ni  Ni101  1  0.993987  0.261798  0.476841  1
  Ni  Ni102  1  0.660654  0.261798  0.476841  1
  Ni  Ni103  1  0.542899  0.469460  0.495099  1
  Ni  Ni104  1  0.209566  0.469460  0.495099  1
  Ni  Ni105  1  0.140347  0.997669  0.482921  1
  Ni  Ni106  1  0.876232  0.469460  0.495099  1
  Ni  Ni107  1  0.807014  0.997669  0.482921  1
  Ni  Ni108  1  0.473680  0.997669  0.482921  1
  Ni  Ni109  1  0.534895  0.676963  0.513426  1
  Ni  Ni110  1  0.201562  0.676963  0.513426  1
  Ni  Ni111  1  0.132343  0.205173  0.501248  1
  Ni  Ni112  1  0.868229  0.676963  0.513426  1
  Ni  Ni113  1  0.799010  0.205173  0.501248  1
  Ni  Ni114  1  0.465677  0.205173  0.501248  1
  Ni  Ni115  1  0.347922  0.412835  0.519506  1
  Ni  Ni116  1  0.014588  0.412835  0.519506  1
  Ni  Ni117  1  0.945374  0.941058  0.507337  1
  Ni  Ni118  1  0.681255  0.412835  0.519506  1
  Ni  Ni119  1  0.612040  0.941058  0.507337  1
  Ni  Ni120  1  0.278707  0.941058  0.507337  1
  Ni  Ni121  1  0.339905  0.620308  0.537856  1
  Ni  Ni122  1  0.006571  0.620308  0.537856  1
  Ni  Ni123  1  0.937346  0.148500  0.525662  1
  Ni  Ni124  1  0.673238  0.620308  0.537856  1
  Ni  Ni125  1  0.604013  0.148500  0.525662  1
  Ni  Ni126  1  0.270680  0.148500  0.525662  1
  Ni  Ni127  1  0.152946  0.356216  0.543926  1
  Ni  Ni128  1  0.819613  0.356216  0.543926  1
  Ni  Ni129  1  0.750356  0.884384  0.531765  1
  Ni  Ni130  1  0.486279  0.356216  0.543926  1
  Ni  Ni131  1  0.417022  0.884384  0.531765  1
  Ni  Ni132  1  0.083689  0.884384  0.531765  1
  Ni  Ni133  1  0.144950  0.563718  0.562251  1
  Ni  Ni134  1  0.811616  0.563718  0.562251  1
  Ni  Ni135  1  0.742370  0.091894  0.550090  1
  Ni  Ni136  1  0.478283  0.563718  0.562251  1
  Ni  Ni137  1  0.409037  0.091894  0.550090  1
  Ni  Ni138  1  0.075704  0.091894  0.550090  1
  Ni  Ni139  1  0.957948  0.299569  0.568293  1
  Ni  Ni140  1  0.624615  0.299569  0.568293  1
  Ni  Ni141  1  0.555380  0.827794  0.556181  1
  Ni  Ni142  1  0.291282  0.299569  0.568293  1
  Ni  Ni143  1  0.222046  0.827794  0.556181  1
  Ni  Ni144  1  0.888713  0.827794  0.556181  1
  Ni  Ni145  1  0.949968  0.507003  0.586708  1
  Ni  Ni146  1  0.616634  0.507003  0.586708  1
  Ni  Ni147  1  0.547334  0.035109  0.574509  1
  Ni  Ni148  1  0.283301  0.507003  0.586708  1
  Ni  Ni149  1  0.214001  0.035109  0.574509  1
  Ni  Ni150  1  0.880668  0.035109  0.574509  1
  Ni  Ni151  1  0.762994  0.243058  0.592745  1
  Ni  Ni152  1  0.429660  0.243058  0.592745  1
  Ni  Ni153  1  0.360260  0.771044  0.580629  1
  Ni  Ni154  1  0.096327  0.243058  0.592745  1
  Ni  Ni155  1  0.026927  0.771044  0.580629  1
  Ni  Ni156  1  0.693594  0.771044  0.580629  1
  Ni  Ni157  1  0.755083  0.450471  0.611013  1
  Ni  Ni158  1  0.421749  0.450471  0.611013  1
  Ni  Ni159  1  0.352406  0.978608  0.598948  1
  Ni  Ni160  1  0.088416  0.450471  0.611013  1
  Ni  Ni161  1  0.019073  0.978608  0.598948  1
  Ni  Ni162  1  0.685740  0.978608  0.598948  1
  Ni  Ni163  1  0.567858  0.186425  0.617006  1
  Ni  Ni164  1  0.234524  0.186425  0.617006  1
  Ni  Ni165  1  0.165245  0.714563  0.605005  1
  Ni  Ni166  1  0.901191  0.186425  0.617006  1
  Ni  Ni167  1  0.831912  0.714563  0.605005  1
  Ni  Ni168  1  0.498578  0.714563  0.605005  1
  Ni  Ni169  1  0.560351  0.393759  0.635626  1
  Ni  Ni170  1  0.227017  0.393759  0.635626  1
  Ni  Ni171  1  0.157219  0.921360  0.623399  1
  Ni  Ni172  1  0.893684  0.393759  0.635626  1
  Ni  Ni173  1  0.823886  0.921360  0.623399  1
  Ni  Ni174  1  0.490552  0.921360  0.623399  1
  Ni  Ni175  1  0.372598  0.129829  0.641520  1
  Ni  Ni176  1  0.039265  0.129829  0.641520  1
  Ni  Ni177  1  0.969571  0.657247  0.629508  1
  Ni  Ni178  1  0.705932  0.129829  0.641520  1
  Ni  Ni179  1  0.636238  0.657247  0.629508  1
  Ni  Ni180  1  0.302904  0.657247  0.629508  1
  Ni  Ni181  1  0.366119  0.337969  0.659568  1
  Ni  Ni182  1  0.032786  0.337969  0.659568  1
  Ni  Ni183  1  0.962644  0.865254  0.647766  1
  Ni  Ni184  1  0.699453  0.337969  0.659568  1
  Ni  Ni185  1  0.629311  0.865254  0.647766  1
  Ni  Ni186  1  0.295977  0.865254  0.647766  1
  Ni  Ni187  1  0.177759  0.073951  0.665377  1
  Ni  Ni188  1  0.844426  0.073951  0.665377  1
  Ni  Ni189  1  0.774877  0.601539  0.653651  1
  Ni  Ni190  1  0.511092  0.073951  0.665377  1
  Ni  Ni191  1  0.441544  0.601539  0.653651  1
  Ni  Ni192  1  0.108211  0.601539  0.653651  1
  Ni  Ni193  1  0.170158  0.279972  0.684535  1
  Ni  Ni194  1  0.836825  0.279972  0.684535  1
  Ni  Ni195  1  0.766956  0.807351  0.672251  1
  Ni  Ni196  1  0.503492  0.279972  0.684535  1
  Ni  Ni197  1  0.433622  0.807351  0.672251  1
  Ni  Ni198  1  0.100289  0.807351  0.672251  1
  Ni  Ni199  1  0.982740  0.016474  0.690266  1
  Ni  Ni200  1  0.649406  0.016474  0.690266  1
  Ni  Ni201  1  0.579657  0.544696  0.678755  1
  Ni  Ni202  1  0.316073  0.016474  0.690266  1
  Ni  Ni203  1  0.246324  0.544696  0.678755  1
  Ni  Ni204  1  0.912991  0.544696  0.678755  1
  Ni  Ni205  1  0.976361  0.224119  0.708061  1
  Ni  Ni206  1  0.643027  0.224119  0.708061  1
  Ni  Ni207  1  0.571087  0.751371  0.696881  1
  Ni  Ni208  1  0.309694  0.224119  0.708061  1
  Ni  Ni209  1  0.237754  0.751371  0.696881  1
  Ni  Ni210  1  0.904421  0.751371  0.696881  1
  Ni  Ni211  1  0.787676  0.959846  0.713572  1
  Ni  Ni212  1  0.454343  0.959846  0.713572  1
  Ni  Ni213  1  0.383560  0.487699  0.702275  1
  Ni  Ni214  1  0.121010  0.959846  0.713572  1
  Ni  Ni215  1  0.050227  0.487699  0.702275  1
  Ni  Ni216  1  0.716894  0.487699  0.702275  1
