# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56727598
_cell_length_b   13.28174671
_cell_length_c   46.41948948
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.85422190
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   4998.58727336
_cell_formula_units_Z   204
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  0.636082  0.697074  0.296331  1
  Ni  Ni2  1  0.136082  0.697074  0.296331  1
  Ni  Ni3  1  0.053614  0.036832  0.288392  1
  Ni  Ni4  1  0.484340  0.382876  0.280959  1
  Ni  Ni5  1  0.553614  0.036832  0.288392  1
  Ni  Ni6  1  0.984340  0.382876  0.280959  1
  Ni  Ni7  1  0.738618  0.536920  0.288391  1
  Ni  Ni8  1  0.238618  0.536920  0.288391  1
  Ni  Ni9  1  0.153726  0.882779  0.280964  1
  Ni  Ni10  1  0.316270  0.197128  0.296339  1
  Ni  Ni11  1  0.653726  0.882779  0.280964  1
  Ni  Ni12  1  0.816270  0.197128  0.296339  1
  Ni  Ni13  1  0.379846  0.678930  0.322844  1
  Ni  Ni14  1  0.879846  0.678930  0.322844  1
  Ni  Ni15  1  0.797979  0.017981  0.314883  1
  Ni  Ni16  1  0.220072  0.356165  0.305912  1
  Ni  Ni17  1  0.297979  0.017981  0.314883  1
  Ni  Ni18  1  0.720072  0.356165  0.305912  1
  Ni  Ni19  1  0.475278  0.517987  0.314888  1
  Ni  Ni20  1  0.975278  0.517987  0.314888  1
  Ni  Ni21  1  0.891285  0.856148  0.305925  1
  Ni  Ni22  1  0.054335  0.178907  0.322844  1
  Ni  Ni23  1  0.391285  0.856148  0.305925  1
  Ni  Ni24  1  0.554335  0.178907  0.322844  1
  Ni  Ni25  1  0.122659  0.658998  0.349215  1
  Ni  Ni26  1  0.622659  0.658998  0.349215  1
  Ni  Ni27  1  0.540280  0.997436  0.340426  1
  Ni  Ni28  1  0.960868  0.338099  0.332298  1
  Ni  Ni29  1  0.040280  0.997436  0.340426  1
  Ni  Ni30  1  0.460868  0.338099  0.332298  1
  Ni  Ni31  1  0.212405  0.497441  0.340424  1
  Ni  Ni32  1  0.712405  0.497441  0.340424  1
  Ni  Ni33  1  0.632456  0.838090  0.332304  1
  Ni  Ni34  1  0.791578  0.158986  0.349217  1
  Ni  Ni35  1  0.132456  0.838090  0.332304  1
  Ni  Ni36  1  0.291578  0.158986  0.349217  1
  Ni  Ni37  1  0.863053  0.639091  0.375559  1
  Ni  Ni38  1  0.363053  0.639091  0.375559  1
  Ni  Ni39  1  0.282103  0.979109  0.367159  1
  Ni  Ni40  1  0.702570  0.318920  0.358377  1
  Ni  Ni41  1  0.782103  0.979109  0.367159  1
  Ni  Ni42  1  0.202570  0.318920  0.358377  1
  Ni  Ni43  1  0.952242  0.479111  0.367161  1
  Ni  Ni44  1  0.452242  0.479111  0.367161  1
  Ni  Ni45  1  0.371574  0.818916  0.358387  1
  Ni  Ni46  1  0.531264  0.139092  0.375561  1
  Ni  Ni47  1  0.871574  0.818916  0.358387  1
  Ni  Ni48  1  0.031264  0.139092  0.375561  1
  Ni  Ni49  1  0.603742  0.620052  0.402102  1
  Ni  Ni50  1  0.103742  0.620052  0.402102  1
  Ni  Ni51  1  0.023064  0.959767  0.393375  1
  Ni  Ni52  1  0.443159  0.299290  0.384746  1
  Ni  Ni53  1  0.523064  0.959767  0.393375  1
  Ni  Ni54  1  0.943159  0.299290  0.384746  1
  Ni  Ni55  1  0.691917  0.459762  0.393375  1
  Ni  Ni56  1  0.191917  0.459762  0.393375  1
  Ni  Ni57  1  0.111340  0.799287  0.384751  1
  Ni  Ni58  1  0.271520  0.120049  0.402104  1
  Ni  Ni59  1  0.611340  0.799287  0.384751  1
  Ni  Ni60  1  0.771520  0.120049  0.402104  1
  Ni  Ni61  1  0.344112  0.600625  0.428429  1
  Ni  Ni62  1  0.844112  0.600625  0.428429  1
  Ni  Ni63  1  0.763587  0.940358  0.419763  1
  Ni  Ni64  1  0.183508  0.280010  0.410983  1
  Ni  Ni65  1  0.263587  0.940358  0.419763  1
  Ni  Ni66  1  0.683508  0.280010  0.410983  1
  Ni  Ni67  1  0.431971  0.440357  0.419764  1
  Ni  Ni68  1  0.931971  0.440357  0.419764  1
  Ni  Ni69  1  0.851699  0.780006  0.410988  1
  Ni  Ni70  1  0.011707  0.100625  0.428431  1
  Ni  Ni71  1  0.351699  0.780006  0.410988  1
  Ni  Ni72  1  0.511707  0.100625  0.428431  1
  Ni  Ni73  1  0.084381  0.581256  0.454822  1
  Ni  Ni74  1  0.584381  0.581256  0.454822  1
  Ni  Ni75  1  0.503983  0.921017  0.446071  1
  Ni  Ni76  1  0.923933  0.260766  0.437354  1
  Ni  Ni77  1  0.003983  0.921017  0.446071  1
  Ni  Ni78  1  0.423933  0.260766  0.437354  1
  Ni  Ni79  1  0.172216  0.421016  0.446072  1
  Ni  Ni80  1  0.672216  0.421016  0.446072  1
  Ni  Ni81  1  0.592016  0.760763  0.437359  1
  Ni  Ni82  1  0.752051  0.081254  0.454825  1
  Ni  Ni83  1  0.092016  0.760763  0.437359  1
  Ni  Ni84  1  0.252051  0.081254  0.454825  1
  Ni  Ni85  1  0.824634  0.561902  0.481168  1
  Ni  Ni86  1  0.324634  0.561902  0.481168  1
  Ni  Ni87  1  0.244356  0.901674  0.472430  1
  Ni  Ni88  1  0.664297  0.241408  0.463658  1
  Ni  Ni89  1  0.744356  0.901674  0.472430  1
  Ni  Ni90  1  0.164297  0.241408  0.463658  1
  Ni  Ni91  1  0.912483  0.401672  0.472431  1
  Ni  Ni92  1  0.412483  0.401672  0.472431  1
  Ni  Ni93  1  0.332279  0.741405  0.463662  1
  Ni  Ni94  1  0.492428  0.061901  0.481171  1
  Ni  Ni95  1  0.832279  0.741405  0.463662  1
  Ni  Ni96  1  0.992428  0.061901  0.481171  1
  Ni  Ni97  1  0.564902  0.542554  0.507518  1
  Ni  Ni98  1  0.064902  0.542554  0.507518  1
  Ni  Ni99  1  0.984680  0.882308  0.498764  1
  Ni  Ni100  1  0.404660  0.222062  0.490008  1
  Ni  Ni101  1  0.484680  0.882308  0.498764  1
  Ni  Ni102  1  0.904660  0.222062  0.490008  1
  Ni  Ni103  1  0.652777  0.382306  0.498765  1
  Ni  Ni104  1  0.152777  0.382306  0.498765  1
  Ni  Ni105  1  0.072555  0.722060  0.490011  1
  Ni  Ni106  1  0.232796  0.042552  0.507521  1
  Ni  Ni107  1  0.572555  0.722060  0.490011  1
  Ni  Ni108  1  0.732796  0.042552  0.507521  1
  Ni  Ni109  1  0.305177  0.523209  0.533867  1
  Ni  Ni110  1  0.805177  0.523209  0.533867  1
  Ni  Ni111  1  0.724973  0.862942  0.525098  1
  Ni  Ni112  1  0.145028  0.202714  0.516358  1
  Ni  Ni113  1  0.224973  0.862942  0.525098  1
  Ni  Ni114  1  0.645028  0.202714  0.516358  1
  Ni  Ni115  1  0.393100  0.362940  0.525099  1
  Ni  Ni116  1  0.893100  0.362940  0.525099  1
  Ni  Ni117  1  0.812822  0.702712  0.516360  1
  Ni  Ni118  1  0.973160  0.023206  0.533871  1
  Ni  Ni119  1  0.312822  0.702712  0.516360  1
  Ni  Ni120  1  0.473160  0.023206  0.533871  1
  Ni  Ni121  1  0.045440  0.503851  0.560170  1
  Ni  Ni122  1  0.545440  0.503851  0.560170  1
  Ni  Ni123  1  0.465240  0.843599  0.551457  1
  Ni  Ni124  1  0.885405  0.183360  0.542704  1
  Ni  Ni125  1  0.965240  0.843599  0.551457  1
  Ni  Ni126  1  0.385405  0.183360  0.542704  1
  Ni  Ni127  1  0.133473  0.343597  0.551457  1
  Ni  Ni128  1  0.633473  0.343597  0.551457  1
  Ni  Ni129  1  0.553075  0.683358  0.542707  1
  Ni  Ni130  1  0.713523  0.003848  0.560175  1
  Ni  Ni131  1  0.053075  0.683358  0.542707  1
  Ni  Ni132  1  0.213523  0.003848  0.560175  1
  Ni  Ni133  1  0.785757  0.484608  0.586541  1
  Ni  Ni134  1  0.285757  0.484608  0.586541  1
  Ni  Ni135  1  0.205485  0.824257  0.577765  1
  Ni  Ni136  1  0.625749  0.163989  0.569098  1
  Ni  Ni137  1  0.705485  0.824257  0.577765  1
  Ni  Ni138  1  0.125749  0.163989  0.569098  1
  Ni  Ni139  1  0.873870  0.324256  0.577766  1
  Ni  Ni140  1  0.373870  0.324256  0.577766  1
  Ni  Ni141  1  0.293344  0.663989  0.569100  1
  Ni  Ni142  1  0.453948  0.984604  0.586546  1
  Ni  Ni143  1  0.793344  0.663989  0.569100  1
  Ni  Ni144  1  0.953948  0.984604  0.586546  1
  Ni  Ni145  1  0.526116  0.465327  0.612777  1
  Ni  Ni146  1  0.026116  0.465327  0.612777  1
  Ni  Ni147  1  0.945539  0.804852  0.604154  1
  Ni  Ni148  1  0.365936  0.144565  0.595425  1
  Ni  Ni149  1  0.445539  0.804852  0.604154  1
  Ni  Ni150  1  0.865936  0.144565  0.595425  1
  Ni  Ni151  1  0.614392  0.304847  0.604154  1
  Ni  Ni152  1  0.114392  0.304847  0.604154  1
  Ni  Ni153  1  0.033714  0.644562  0.595426  1
  Ni  Ni154  1  0.194297  0.965324  0.612783  1
  Ni  Ni155  1  0.533714  0.644562  0.595426  1
  Ni  Ni156  1  0.694297  0.965324  0.612783  1
  Ni  Ni157  1  0.265882  0.445698  0.639142  1
  Ni  Ni158  1  0.765882  0.445698  0.639142  1
  Ni  Ni159  1  0.685214  0.785503  0.630368  1
  Ni  Ni160  1  0.106192  0.125522  0.621968  1
  Ni  Ni161  1  0.185214  0.785503  0.630368  1
  Ni  Ni162  1  0.606192  0.125522  0.621968  1
  Ni  Ni163  1  0.355354  0.285505  0.630370  1
  Ni  Ni164  1  0.855354  0.285505  0.630370  1
  Ni  Ni165  1  0.774403  0.625523  0.621969  1
  Ni  Ni166  1  0.934887  0.945695  0.639152  1
  Ni  Ni167  1  0.274403  0.625523  0.621969  1
  Ni  Ni168  1  0.434887  0.945695  0.639152  1
  Ni  Ni169  1  0.005000  0.426524  0.665225  1
  Ni  Ni170  1  0.505000  0.426524  0.665225  1
  Ni  Ni171  1  0.425051  0.767173  0.657105  1
  Ni  Ni172  1  0.845878  0.105628  0.648312  1
  Ni  Ni173  1  0.925051  0.767173  0.657105  1
  Ni  Ni174  1  0.345878  0.105628  0.648312  1
  Ni  Ni175  1  0.097176  0.267178  0.657103  1
  Ni  Ni176  1  0.597176  0.267178  0.657103  1
  Ni  Ni177  1  0.514797  0.605616  0.648314  1
  Ni  Ni178  1  0.676588  0.926516  0.665231  1
  Ni  Ni179  1  0.014797  0.605616  0.648314  1
  Ni  Ni180  1  0.176588  0.926516  0.665231  1
  Ni  Ni181  1  0.746172  0.408466  0.691604  1
  Ni  Ni182  1  0.246172  0.408466  0.691604  1
  Ni  Ni183  1  0.162178  0.746627  0.682641  1
  Ni  Ni184  1  0.583121  0.085707  0.674685  1
  Ni  Ni185  1  0.662178  0.746627  0.682641  1
  Ni  Ni186  1  0.083121  0.085707  0.674685  1
  Ni  Ni187  1  0.839478  0.246633  0.682646  1
  Ni  Ni188  1  0.339478  0.246633  0.682646  1
  Ni  Ni189  1  0.257610  0.585684  0.674684  1
  Ni  Ni190  1  0.417385  0.908450  0.691617  1
  Ni  Ni191  1  0.757610  0.585684  0.674684  1
  Ni  Ni192  1  0.917385  0.908450  0.691617  1
  Ni  Ni193  1  0.483730  0.381835  0.716565  1
  Ni  Ni194  1  0.983730  0.381835  0.716565  1
  Ni  Ni195  1  0.898838  0.727695  0.709138  1
  Ni  Ni196  1  0.321187  0.067486  0.701190  1
  Ni  Ni197  1  0.398838  0.727695  0.709138  1
  Ni  Ni198  1  0.821187  0.067486  0.701190  1
  Ni  Ni199  1  0.583843  0.227782  0.709137  1
  Ni  Ni200  1  0.083843  0.227782  0.709137  1
  Ni  Ni201  1  1.001374  0.567540  0.701198  1
  Ni  Ni202  1  0.153117  0.881738  0.716570  1
  Ni  Ni203  1  0.501374  0.567540  0.701198  1
  Ni  Ni204  1  0.653117  0.881738  0.716570  1
