# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55621544
_cell_length_b   13.21073072
_cell_length_c   46.41879972
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.89626726
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   4964.1222179
_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  0.639622  0.697160  0.296493  1
  Ni  Ni2  1  0.139622  0.697160  0.296493  1
  Ni  Ni3  1  0.061851  0.037298  0.289046  1
  Ni  Ni4  1  0.485643  0.380227  0.281387  1
  Ni  Ni5  1  0.561851  0.037298  0.289046  1
  Ni  Ni6  1  0.985643  0.380227  0.281387  1
  Ni  Ni7  1  0.731761  0.537300  0.289046  1
  Ni  Ni8  1  0.231761  0.537300  0.289046  1
  Ni  Ni9  1  0.150893  0.880225  0.281387  1
  Ni  Ni10  1  0.313850  0.197161  0.296493  1
  Ni  Ni11  1  0.650893  0.880225  0.281387  1
  Ni  Ni12  1  0.813850  0.197161  0.296493  1
  Ni  Ni13  1  0.382213  0.678757  0.322502  1
  Ni  Ni14  1  0.882213  0.678757  0.322502  1
  Ni  Ni15  1  0.803714  0.018292  0.314436  1
  Ni  Ni16  1  0.222665  0.356233  0.305290  1
  Ni  Ni17  1  0.303714  0.018292  0.314436  1
  Ni  Ni18  1  0.722665  0.356233  0.305290  1
  Ni  Ni19  1  0.470890  0.518292  0.314436  1
  Ni  Ni20  1  0.970890  0.518292  0.314436  1
  Ni  Ni21  1  0.889877  0.856233  0.305290  1
  Ni  Ni22  1  0.052856  0.178757  0.322502  1
  Ni  Ni23  1  0.389877  0.856233  0.305290  1
  Ni  Ni24  1  0.552856  0.178757  0.322502  1
  Ni  Ni25  1  0.123233  0.658436  0.349022  1
  Ni  Ni26  1  0.623233  0.658436  0.349022  1
  Ni  Ni27  1  0.543359  0.997597  0.340508  1
  Ni  Ni28  1  0.963100  0.337815  0.332209  1
  Ni  Ni29  1  0.043359  0.997597  0.340508  1
  Ni  Ni30  1  0.463100  0.337815  0.332209  1
  Ni  Ni31  1  0.210549  0.497597  0.340508  1
  Ni  Ni32  1  0.710549  0.497597  0.340508  1
  Ni  Ni33  1  0.631025  0.837814  0.332210  1
  Ni  Ni34  1  0.791514  0.158436  0.349022  1
  Ni  Ni35  1  0.131025  0.837814  0.332210  1
  Ni  Ni36  1  0.291514  0.158436  0.349022  1
  Ni  Ni37  1  0.863537  0.639072  0.375317  1
  Ni  Ni38  1  0.363537  0.639072  0.375317  1
  Ni  Ni39  1  0.283921  0.978940  0.366841  1
  Ni  Ni40  1  0.703737  0.318523  0.358007  1
  Ni  Ni41  1  0.783921  0.978940  0.366841  1
  Ni  Ni42  1  0.203737  0.318523  0.358007  1
  Ni  Ni43  1  0.951329  0.478939  0.366841  1
  Ni  Ni44  1  0.451329  0.478939  0.366841  1
  Ni  Ni45  1  0.371096  0.818523  0.358007  1
  Ni  Ni46  1  0.531846  0.139072  0.375317  1
  Ni  Ni47  1  0.871096  0.818523  0.358007  1
  Ni  Ni48  1  0.031846  0.139072  0.375317  1
  Ni  Ni49  1  0.603959  0.619668  0.401856  1
  Ni  Ni50  1  0.103959  0.619668  0.401856  1
  Ni  Ni51  1  0.023992  0.959395  0.393177  1
  Ni  Ni52  1  0.443818  0.299032  0.384504  1
  Ni  Ni53  1  0.523992  0.959395  0.393177  1
  Ni  Ni54  1  0.943818  0.299032  0.384504  1
  Ni  Ni55  1  0.691713  0.459395  0.393177  1
  Ni  Ni56  1  0.191713  0.459395  0.393177  1
  Ni  Ni57  1  0.111524  0.799032  0.384504  1
  Ni  Ni58  1  0.272019  0.119668  0.401856  1
  Ni  Ni59  1  0.611524  0.799032  0.384504  1
  Ni  Ni60  1  0.772019  0.119668  0.401856  1
  Ni  Ni61  1  0.344341  0.600349  0.428230  1
  Ni  Ni62  1  0.844341  0.600349  0.428230  1
  Ni  Ni63  1  0.764289  0.940071  0.419551  1
  Ni  Ni64  1  0.184077  0.279745  0.410745  1
  Ni  Ni65  1  0.264289  0.940071  0.419551  1
  Ni  Ni66  1  0.684077  0.279745  0.410745  1
  Ni  Ni67  1  0.432091  0.440070  0.419551  1
  Ni  Ni68  1  0.932091  0.440070  0.419551  1
  Ni  Ni69  1  0.851978  0.779744  0.410745  1
  Ni  Ni70  1  0.012317  0.100349  0.428230  1
  Ni  Ni71  1  0.351978  0.779744  0.410745  1
  Ni  Ni72  1  0.512317  0.100349  0.428230  1
  Ni  Ni73  1  0.084678  0.580981  0.454654  1
  Ni  Ni74  1  0.584678  0.580981  0.454654  1
  Ni  Ni75  1  0.504561  0.920725  0.445906  1
  Ni  Ni76  1  0.924407  0.260460  0.437159  1
  Ni  Ni77  1  1.004561  0.920725  0.445906  1
  Ni  Ni78  1  0.424407  0.260460  0.437159  1
  Ni  Ni79  1  0.172473  0.420725  0.445906  1
  Ni  Ni80  1  0.672473  0.420725  0.445906  1
  Ni  Ni81  1  0.592362  0.760460  0.437159  1
  Ni  Ni82  1  0.752613  0.080981  0.454654  1
  Ni  Ni83  1  0.092362  0.760460  0.437159  1
  Ni  Ni84  1  0.252613  0.080981  0.454654  1
  Ni  Ni85  1  0.825010  0.561658  0.481036  1
  Ni  Ni86  1  0.325010  0.561658  0.481036  1
  Ni  Ni87  1  0.244899  0.901409  0.472286  1
  Ni  Ni88  1  0.664747  0.241147  0.463503  1
  Ni  Ni89  1  0.744899  0.901409  0.472286  1
  Ni  Ni90  1  0.164747  0.241147  0.463503  1
  Ni  Ni91  1  0.912818  0.401409  0.472285  1
  Ni  Ni92  1  0.412818  0.401409  0.472285  1
  Ni  Ni93  1  0.332709  0.741147  0.463503  1
  Ni  Ni94  1  0.492956  0.061658  0.481036  1
  Ni  Ni95  1  0.832709  0.741147  0.463503  1
  Ni  Ni96  1  0.992956  0.061658  0.481036  1
  Ni  Ni97  1  0.565344  0.542331  0.507420  1
  Ni  Ni98  1  0.065344  0.542331  0.507420  1
  Ni  Ni99  1  0.985225  0.882079  0.498655  1
  Ni  Ni100  1  0.405092  0.221827  0.489890  1
  Ni  Ni101  1  0.485225  0.882079  0.498655  1
  Ni  Ni102  1  0.905092  0.221827  0.489890  1
  Ni  Ni103  1  0.653162  0.382079  0.498655  1
  Ni  Ni104  1  0.153162  0.382079  0.498655  1
  Ni  Ni105  1  0.073043  0.721827  0.489890  1
  Ni  Ni106  1  0.233294  0.042331  0.507420  1
  Ni  Ni107  1  0.573043  0.721827  0.489890  1
  Ni  Ni108  1  0.733294  0.042331  0.507420  1
  Ni  Ni109  1  0.305678  0.523010  0.533807  1
  Ni  Ni110  1  0.805678  0.523010  0.533807  1
  Ni  Ni111  1  0.725568  0.862748  0.525025  1
  Ni  Ni112  1  0.145430  0.202499  0.516274  1
  Ni  Ni113  1  0.225568  0.862748  0.525025  1
  Ni  Ni114  1  0.645430  0.202499  0.516274  1
  Ni  Ni115  1  0.393487  0.362748  0.525025  1
  Ni  Ni116  1  0.893487  0.362748  0.525025  1
  Ni  Ni117  1  0.813376  0.702499  0.516275  1
  Ni  Ni118  1  0.973640  0.023010  0.533807  1
  Ni  Ni119  1  0.313376  0.702499  0.516275  1
  Ni  Ni120  1  0.473640  0.023010  0.533807  1
  Ni  Ni121  1  0.046025  0.503698  0.560152  1
  Ni  Ni122  1  0.546025  0.503698  0.560152  1
  Ni  Ni123  1  0.465914  0.843432  0.551404  1
  Ni  Ni124  1  0.885774  0.183176  0.542657  1
  Ni  Ni125  1  0.965914  0.843432  0.551404  1
  Ni  Ni126  1  0.385774  0.183176  0.542657  1
  Ni  Ni127  1  0.133825  0.343432  0.551404  1
  Ni  Ni128  1  0.633825  0.343432  0.551404  1
  Ni  Ni129  1  0.553709  0.683176  0.542657  1
  Ni  Ni130  1  0.713980  0.003698  0.560152  1
  Ni  Ni131  1  0.053709  0.683176  0.542657  1
  Ni  Ni132  1  0.213980  0.003698  0.560152  1
  Ni  Ni133  1  0.786409  0.484413  0.586566  1
  Ni  Ni134  1  0.286409  0.484413  0.586566  1
  Ni  Ni135  1  0.206296  0.824087  0.577760  1
  Ni  Ni136  1  0.626070  0.163809  0.569081  1
  Ni  Ni137  1  0.706296  0.824087  0.577760  1
  Ni  Ni138  1  0.126070  0.163809  0.569081  1
  Ni  Ni139  1  0.874097  0.324087  0.577760  1
  Ni  Ni140  1  0.374097  0.324087  0.577760  1
  Ni  Ni141  1  0.294045  0.663809  0.569081  1
  Ni  Ni142  1  0.454310  0.984413  0.586566  1
  Ni  Ni143  1  0.794045  0.663809  0.569081  1
  Ni  Ni144  1  0.954310  0.984413  0.586566  1
  Ni  Ni145  1  0.526863  0.465126  0.612807  1
  Ni  Ni146  1  0.026863  0.465126  0.612807  1
  Ni  Ni147  1  0.946674  0.804763  0.604133  1
  Ni  Ni148  1  0.366368  0.144490  0.595455  1
  Ni  Ni149  1  0.446674  0.804763  0.604133  1
  Ni  Ni150  1  0.866368  0.144490  0.595455  1
  Ni  Ni151  1  0.614395  0.304762  0.604133  1
  Ni  Ni152  1  0.114395  0.304762  0.604133  1
  Ni  Ni153  1  0.034428  0.644490  0.595455  1
  Ni  Ni154  1  0.194569  0.965126  0.612807  1
  Ni  Ni155  1  0.534428  0.644490  0.595455  1
  Ni  Ni156  1  0.694569  0.965126  0.612807  1
  Ni  Ni157  1  0.267290  0.445634  0.639303  1
  Ni  Ni158  1  0.767290  0.445634  0.639303  1
  Ni  Ni159  1  0.687058  0.785218  0.630470  1
  Ni  Ni160  1  0.106541  0.125085  0.621993  1
  Ni  Ni161  1  0.187058  0.785218  0.630470  1
  Ni  Ni162  1  0.606541  0.125085  0.621993  1
  Ni  Ni163  1  0.354466  0.285218  0.630470  1
  Ni  Ni164  1  0.854466  0.285218  0.630470  1
  Ni  Ni165  1  0.774850  0.625085  0.621993  1
  Ni  Ni166  1  0.934650  0.945634  0.639303  1
  Ni  Ni167  1  0.274850  0.625085  0.621993  1
  Ni  Ni168  1  0.434650  0.945634  0.639303  1
  Ni  Ni169  1  0.007362  0.426343  0.665101  1
  Ni  Ni170  1  0.507362  0.426343  0.665101  1
  Ni  Ni171  1  0.427838  0.766561  0.656802  1
  Ni  Ni172  1  0.846873  0.105722  0.648288  1
  Ni  Ni173  1  0.927838  0.766561  0.656802  1
  Ni  Ni174  1  0.346873  0.105722  0.648288  1
  Ni  Ni175  1  0.095028  0.266561  0.656802  1
  Ni  Ni176  1  0.595028  0.266561  0.656802  1
  Ni  Ni177  1  0.515154  0.605721  0.648289  1
  Ni  Ni178  1  0.675287  0.926343  0.665101  1
  Ni  Ni179  1  0.015154  0.605721  0.648289  1
  Ni  Ni180  1  0.175287  0.926343  0.665101  1
  Ni  Ni181  1  0.748510  0.407925  0.692020  1
  Ni  Ni182  1  0.248510  0.407925  0.692020  1
  Ni  Ni183  1  0.167497  0.745866  0.682875  1
  Ni  Ni184  1  0.585531  0.085401  0.674809  1
  Ni  Ni185  1  0.667497  0.745866  0.682875  1
  Ni  Ni186  1  0.085531  0.085401  0.674809  1
  Ni  Ni187  1  0.834673  0.245866  0.682874  1
  Ni  Ni188  1  0.334673  0.245866  0.682874  1
  Ni  Ni189  1  0.256174  0.585401  0.674809  1
  Ni  Ni190  1  0.415722  0.907925  0.692021  1
  Ni  Ni191  1  0.756174  0.585401  0.674809  1
  Ni  Ni192  1  0.915722  0.907925  0.692021  1
  Ni  Ni193  1  0.487493  0.383933  0.715923  1
  Ni  Ni194  1  0.987493  0.383933  0.715923  1
  Ni  Ni195  1  0.906626  0.726858  0.708264  1
  Ni  Ni196  1  0.324536  0.066996  0.700818  1
  Ni  Ni197  1  0.406626  0.726858  0.708264  1
  Ni  Ni198  1  0.824536  0.066996  0.700818  1
  Ni  Ni199  1  0.576535  0.226860  0.708264  1
  Ni  Ni200  1  0.076535  0.226860  0.708264  1
  Ni  Ni201  1  0.998764  0.566997  0.700818  1
  Ni  Ni202  1  0.152744  0.883931  0.715924  1
  Ni  Ni203  1  0.498764  0.566997  0.700818  1
  Ni  Ni204  1  0.652744  0.883931  0.715924  1
