# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90283166
_cell_length_b   12.50117123
_cell_length_c   47.93599894
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.12626460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5284.77929556
_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  0.027416  0.766259  0.278633  1
  Ni  Ni2  1  0.360749  0.432925  0.278633  1
  Ni  Ni3  1  0.300037  0.755066  0.289817  1
  Ni  Ni4  1  0.694083  0.099592  0.278633  1
  Ni  Ni5  1  0.633370  0.421733  0.289817  1
  Ni  Ni6  1  0.571234  0.748215  0.301478  1
  Ni  Ni7  1  0.966703  0.088400  0.289817  1
  Ni  Ni8  1  0.904568  0.414882  0.301478  1
  Ni  Ni9  1  0.237901  0.081548  0.301478  1
  Ni  Ni10  1  0.027263  0.582835  0.298994  1
  Ni  Ni11  1  0.360596  0.249501  0.298994  1
  Ni  Ni12  1  0.296554  0.578058  0.311949  1
  Ni  Ni13  1  0.693929  0.916168  0.298994  1
  Ni  Ni14  1  0.629888  0.244725  0.311949  1
  Ni  Ni15  1  0.753009  0.590398  0.287848  1
  Ni  Ni16  1  0.963221  0.911391  0.311949  1
  Ni  Ni17  1  0.086343  0.257064  0.287848  1
  Ni  Ni18  1  0.419676  0.923731  0.287848  1
  Ni  Ni19  1  0.840798  0.741795  0.314417  1
  Ni  Ni20  1  0.174131  0.408461  0.314417  1
  Ni  Ni21  1  0.111757  0.735133  0.327051  1
  Ni  Ni22  1  0.507465  0.075128  0.314417  1
  Ni  Ni23  1  0.445091  0.401799  0.327051  1
  Ni  Ni24  1  0.382929  0.728768  0.338997  1
  Ni  Ni25  1  0.778424  0.068466  0.327051  1
  Ni  Ni26  1  0.716263  0.395434  0.338997  1
  Ni  Ni27  1  0.049596  0.062101  0.338997  1
  Ni  Ni28  1  0.837819  0.562516  0.336829  1
  Ni  Ni29  1  0.171153  0.229183  0.336829  1
  Ni  Ni30  1  0.107315  0.556313  0.349022  1
  Ni  Ni31  1  0.504486  0.895849  0.336829  1
  Ni  Ni32  1  0.440648  0.222980  0.349022  1
  Ni  Ni33  1  0.565120  0.569530  0.324256  1
  Ni  Ni34  1  0.773981  0.889646  0.349022  1
  Ni  Ni35  1  0.898454  0.236196  0.324256  1
  Ni  Ni36  1  0.231787  0.902863  0.324256  1
  Ni  Ni37  1  0.652450  0.721281  0.351227  1
  Ni  Ni38  1  0.985784  0.387947  0.351227  1
  Ni  Ni39  1  0.922391  0.714802  0.363662  1
  Ni  Ni40  1  0.319117  0.054614  0.351227  1
  Ni  Ni41  1  0.255724  0.381469  0.363662  1
  Ni  Ni42  1  0.193215  0.708058  0.376052  1
  Ni  Ni43  1  0.589057  0.048135  0.363662  1
  Ni  Ni44  1  0.526549  0.374725  0.376052  1
  Ni  Ni45  1  0.859882  0.041391  0.376052  1
  Ni  Ni46  1  0.648331  0.542561  0.373668  1
  Ni  Ni47  1  0.981664  0.209228  0.373668  1
  Ni  Ni48  1  0.919189  0.535536  0.386121  1
  Ni  Ni49  1  0.314997  0.875895  0.373668  1
  Ni  Ni50  1  0.252522  0.202202  0.386121  1
  Ni  Ni51  1  0.377422  0.549620  0.361500  1
  Ni  Ni52  1  0.585856  0.868869  0.386121  1
  Ni  Ni53  1  0.710755  0.216287  0.361500  1
  Ni  Ni54  1  0.044089  0.882953  0.361500  1
  Ni  Ni55  1  0.463694  0.701175  0.388349  1
  Ni  Ni56  1  0.797027  0.367842  0.388349  1
  Ni  Ni57  1  0.734061  0.694155  0.400690  1
  Ni  Ni58  1  0.130360  0.034508  0.388349  1
  Ni  Ni59  1  0.067394  0.360822  0.400690  1
  Ni  Ni60  1  0.004548  0.687450  0.413059  1
  Ni  Ni61  1  0.400727  0.027489  0.400690  1
  Ni  Ni62  1  0.337882  0.354116  0.413059  1
  Ni  Ni63  1  0.671215  0.020783  0.413059  1
  Ni  Ni64  1  0.460245  0.522067  0.410841  1
  Ni  Ni65  1  0.793578  0.188734  0.410841  1
  Ni  Ni66  1  0.730723  0.515183  0.423158  1
  Ni  Ni67  1  0.126911  0.855401  0.410841  1
  Ni  Ni68  1  0.064056  0.181849  0.423158  1
  Ni  Ni69  1  0.189553  0.528837  0.398498  1
  Ni  Ni70  1  0.397389  0.848516  0.423158  1
  Ni  Ni71  1  0.522886  0.195503  0.398498  1
  Ni  Ni72  1  0.856219  0.862170  0.398498  1
  Ni  Ni73  1  0.275136  0.680611  0.425421  1
  Ni  Ni74  1  0.608469  0.347278  0.425421  1
  Ni  Ni75  1  0.545648  0.673804  0.437768  1
  Ni  Ni76  1  0.941802  0.013944  0.425421  1
  Ni  Ni77  1  0.878981  0.340471  0.437768  1
  Ni  Ni78  1  0.816171  0.666943  0.450115  1
  Ni  Ni79  1  0.212314  0.007137  0.437768  1
  Ni  Ni80  1  0.149505  0.333610  0.450115  1
  Ni  Ni81  1  0.482838  1.000277  0.450115  1
  Ni  Ni82  1  0.271888  0.501511  0.447905  1
  Ni  Ni83  1  0.605221  0.168178  0.447905  1
  Ni  Ni84  1  0.542451  0.494693  0.460252  1
  Ni  Ni85  1  0.938555  0.834845  0.447905  1
  Ni  Ni86  1  0.875785  0.161360  0.460252  1
  Ni  Ni87  1  1.001298  0.508325  0.435541  1
  Ni  Ni88  1  0.209118  0.828027  0.460252  1
  Ni  Ni89  1  0.334632  0.174992  0.435541  1
  Ni  Ni90  1  0.667965  0.841659  0.435541  1
  Ni  Ni91  1  0.086729  0.660118  0.462474  1
  Ni  Ni92  1  0.420063  0.326785  0.462474  1
  Ni  Ni93  1  0.357289  0.653291  0.474834  1
  Ni  Ni94  1  0.753396  0.993452  0.462474  1
  Ni  Ni95  1  0.690623  0.319958  0.474834  1
  Ni  Ni96  1  0.627825  0.646473  0.487185  1
  Ni  Ni97  1  0.023956  0.986625  0.474834  1
  Ni  Ni98  1  0.961158  0.313140  0.487185  1
  Ni  Ni99  1  0.294492  0.979807  0.487185  1
  Ni  Ni100  1  0.083535  0.481031  0.484962  1
  Ni  Ni101  1  0.416868  0.147698  0.484962  1
  Ni  Ni102  1  0.354104  0.474199  0.497321  1
  Ni  Ni103  1  0.750201  0.814364  0.484962  1
  Ni  Ni104  1  0.687437  0.140865  0.497321  1
  Ni  Ni105  1  0.812969  0.487869  0.472600  1
  Ni  Ni106  1  0.020771  0.807532  0.497321  1
  Ni  Ni107  1  0.146302  0.154536  0.472600  1
  Ni  Ni108  1  0.479636  0.821203  0.472600  1
  Ni  Ni109  1  0.898372  0.639643  0.499535  1
  Ni  Ni110  1  0.231705  0.306310  0.499535  1
  Ni  Ni111  1  0.168941  0.632811  0.511894  1
  Ni  Ni112  1  0.565039  0.972976  0.499535  1
  Ni  Ni113  1  0.502275  0.299478  0.511894  1
  Ni  Ni114  1  0.439507  0.625973  0.524256  1
  Ni  Ni115  1  0.835608  0.966144  0.511894  1
  Ni  Ni116  1  0.772840  0.292639  0.524256  1
  Ni  Ni117  1  0.106174  0.959306  0.524256  1
  Ni  Ni118  1  0.895187  0.460551  0.522022  1
  Ni  Ni119  1  0.228520  0.127217  0.522022  1
  Ni  Ni120  1  0.165747  0.453724  0.534381  1
  Ni  Ni121  1  0.561853  0.793884  0.522022  1
  Ni  Ni122  1  0.499080  0.120390  0.534381  1
  Ni  Ni123  1  0.624651  0.467369  0.509671  1
  Ni  Ni124  1  0.832413  0.787057  0.534381  1
  Ni  Ni125  1  0.957985  0.134035  0.509671  1
  Ni  Ni126  1  0.291318  0.800702  0.509671  1
  Ni  Ni127  1  0.710025  0.619149  0.536603  1
  Ni  Ni128  1  0.043358  0.285815  0.536603  1
  Ni  Ni129  1  0.980588  0.612331  0.548951  1
  Ni  Ni130  1  0.376691  0.952482  0.536603  1
  Ni  Ni131  1  0.313921  0.278997  0.548951  1
  Ni  Ni132  1  0.251178  0.605517  0.561314  1
  Ni  Ni133  1  0.647255  0.945664  0.548951  1
  Ni  Ni134  1  0.584511  0.272183  0.561314  1
  Ni  Ni135  1  0.917845  0.938850  0.561314  1
  Ni  Ni136  1  0.706828  0.440038  0.559087  1
  Ni  Ni137  1  0.040162  0.106705  0.559087  1
  Ni  Ni138  1  0.977340  0.433231  0.571435  1
  Ni  Ni139  1  0.373495  0.773371  0.559087  1
  Ni  Ni140  1  0.310674  0.099898  0.571435  1
  Ni  Ni141  1  0.436305  0.446898  0.546741  1
  Ni  Ni142  1  0.644007  0.766564  0.571435  1
  Ni  Ni143  1  0.769638  0.113565  0.546741  1
  Ni  Ni144  1  0.102971  0.780232  0.546741  1
  Ni  Ni145  1  0.521753  0.598659  0.573697  1
  Ni  Ni146  1  0.855087  0.265326  0.573697  1
  Ni  Ni147  1  0.792231  0.591775  0.586014  1
  Ni  Ni148  1  0.188420  0.931992  0.573697  1
  Ni  Ni149  1  0.125565  0.258441  0.586014  1
  Ni  Ni150  1  0.062923  0.585005  0.598357  1
  Ni  Ni151  1  0.458898  0.925108  0.586014  1
  Ni  Ni152  1  0.396257  0.251672  0.598357  1
  Ni  Ni153  1  0.729590  0.918339  0.598357  1
  Ni  Ni154  1  0.518415  0.419687  0.596166  1
  Ni  Ni155  1  0.851749  0.086353  0.596166  1
  Ni  Ni156  1  0.788782  0.412667  0.608507  1
  Ni  Ni157  1  0.185082  0.753020  0.596166  1
  Ni  Ni158  1  0.122116  0.079334  0.608507  1
  Ni  Ni159  1  0.247928  0.426392  0.583796  1
  Ni  Ni160  1  0.455449  0.746000  0.608507  1
  Ni  Ni161  1  0.581261  0.093059  0.583796  1
  Ni  Ni162  1  0.914594  0.759726  0.583796  1
  Ni  Ni163  1  0.333287  0.578306  0.610735  1
  Ni  Ni164  1  0.666620  0.244973  0.610735  1
  Ni  Ni165  1  0.604145  0.571281  0.623188  1
  Ni  Ni166  1  0.999954  0.911640  0.610735  1
  Ni  Ni167  1  0.937479  0.237947  0.623188  1
  Ni  Ni168  1  0.875054  0.564222  0.635356  1
  Ni  Ni169  1  0.270812  0.904614  0.623188  1
  Ni  Ni170  1  0.208387  0.230888  0.635356  1
  Ni  Ni171  1  0.541721  0.897555  0.635356  1
  Ni  Ni172  1  0.330085  0.399040  0.633193  1
  Ni  Ni173  1  0.663419  0.065707  0.633193  1
  Ni  Ni174  1  0.600026  0.392561  0.645629  1
  Ni  Ni175  1  0.996752  0.732373  0.633193  1
  Ni  Ni176  1  0.933359  0.059228  0.645629  1
  Ni  Ni177  1  0.059261  0.405784  0.620803  1
  Ni  Ni178  1  0.266692  0.725894  0.645629  1
  Ni  Ni179  1  0.392594  0.072450  0.620803  1
  Ni  Ni180  1  0.725927  0.739117  0.620803  1
  Ni  Ni181  1  0.145161  0.557529  0.647834  1
  Ni  Ni182  1  0.478495  0.224195  0.647834  1
  Ni  Ni183  1  0.414657  0.551326  0.660027  1
  Ni  Ni184  1  0.811828  0.890862  0.647834  1
  Ni  Ni185  1  0.747990  0.217993  0.660027  1
  Ni  Ni186  1  0.687356  0.544312  0.672600  1
  Ni  Ni187  1  0.081323  0.884659  0.660027  1
  Ni  Ni188  1  0.020689  0.210979  0.672600  1
  Ni  Ni189  1  0.354022  0.877646  0.672600  1
  Ni  Ni190  1  0.140719  0.378709  0.669804  1
  Ni  Ni191  1  0.474052  0.045376  0.669804  1
  Ni  Ni192  1  0.411678  0.372047  0.682439  1
  Ni  Ni193  1  0.807385  0.712043  0.669804  1
  Ni  Ni194  1  0.745011  0.038714  0.682439  1
  Ni  Ni195  1  0.869547  0.385074  0.657858  1
  Ni  Ni196  1  0.078345  0.705380  0.682439  1
  Ni  Ni197  1  0.202880  0.051741  0.657858  1
  Ni  Ni198  1  0.536213  0.718408  0.657858  1
  Ni  Ni199  1  0.955922  0.535784  0.684906  1
  Ni  Ni200  1  0.289255  0.202451  0.684906  1
  Ni  Ni201  1  0.225214  0.531007  0.697862  1
  Ni  Ni202  1  0.622588  0.869117  0.684906  1
  Ni  Ni203  1  0.558547  0.197674  0.697862  1
  Ni  Ni204  1  0.499467  0.523444  0.709008  1
  Ni  Ni205  1  0.891880  0.864340  0.697862  1
  Ni  Ni206  1  0.832800  0.190111  0.709008  1
  Ni  Ni207  1  0.166133  0.856778  0.709008  1
  Ni  Ni208  1  0.952439  0.358776  0.707038  1
  Ni  Ni209  1  0.285773  0.025442  0.707038  1
  Ni  Ni210  1  0.225060  0.347583  0.718223  1
  Ni  Ni211  1  0.619106  0.692109  0.707038  1
  Ni  Ni212  1  0.558393  0.014250  0.718223  1
  Ni  Ni213  1  0.681242  0.365627  0.695378  1
  Ni  Ni214  1  0.891727  0.680917  0.718223  1
  Ni  Ni215  1  0.014575  0.032294  0.695378  1
  Ni  Ni216  1  0.347908  0.698960  0.695378  1
