# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.87657700
_cell_length_b   11.05878875
_cell_length_c   46.49211082
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.52790920
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5387.93459646
_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  0.292900  0.194449  0.295972  1
  Ni  Ni2  1  0.959566  0.194449  0.295972  1
  Ni  Ni3  1  0.888998  0.720371  0.284439  1
  Ni  Ni4  1  0.626233  0.194449  0.295972  1
  Ni  Ni5  1  0.555665  0.720371  0.284439  1
  Ni  Ni6  1  0.222331  0.720371  0.284439  1
  Ni  Ni7  1  0.109440  0.925719  0.300502  1
  Ni  Ni8  1  0.776106  0.925719  0.300502  1
  Ni  Ni9  1  0.704890  0.457800  0.289973  1
  Ni  Ni10  1  0.442773  0.925719  0.300502  1
  Ni  Ni11  1  0.371557  0.457800  0.289973  1
  Ni  Ni12  1  0.038223  0.457800  0.289973  1
  Ni  Ni13  1  0.096035  0.134166  0.318869  1
  Ni  Ni14  1  0.762702  0.134166  0.318869  1
  Ni  Ni15  1  0.690529  0.659581  0.307404  1
  Ni  Ni16  1  0.429369  0.134166  0.318869  1
  Ni  Ni17  1  0.357195  0.659581  0.307404  1
  Ni  Ni18  1  0.023862  0.659581  0.307404  1
  Ni  Ni19  1  0.912863  0.871769  0.325079  1
  Ni  Ni20  1  0.579530  0.871769  0.325079  1
  Ni  Ni21  1  0.508785  0.398550  0.313134  1
  Ni  Ni22  1  0.246197  0.871769  0.325079  1
  Ni  Ni23  1  0.175452  0.398550  0.313134  1
  Ni  Ni24  1  0.842119  0.398550  0.313134  1
  Ni  Ni25  1  0.899979  0.076969  0.343700  1
  Ni  Ni26  1  0.566645  0.076969  0.343700  1
  Ni  Ni27  1  0.497100  0.604925  0.331989  1
  Ni  Ni28  1  0.233312  0.076969  0.343700  1
  Ni  Ni29  1  0.163767  0.604925  0.331989  1
  Ni  Ni30  1  0.830433  0.604925  0.331989  1
  Ni  Ni31  1  0.714655  0.812091  0.349091  1
  Ni  Ni32  1  0.381322  0.812091  0.349091  1
  Ni  Ni33  1  0.312705  0.341309  0.337884  1
  Ni  Ni34  1  0.047989  0.812091  0.349091  1
  Ni  Ni35  1  0.979372  0.341309  0.337884  1
  Ni  Ni36  1  0.646039  0.341309  0.337884  1
  Ni  Ni37  1  0.705976  0.020346  0.367816  1
  Ni  Ni38  1  0.372642  0.020346  0.367816  1
  Ni  Ni39  1  0.302277  0.546888  0.355713  1
  Ni  Ni40  1  0.039309  0.020346  0.367816  1
  Ni  Ni41  1  0.968944  0.546888  0.355713  1
  Ni  Ni42  1  0.635610  0.546888  0.355713  1
  Ni  Ni43  1  0.519233  0.756417  0.373906  1
  Ni  Ni44  1  0.185900  0.756417  0.373906  1
  Ni  Ni45  1  0.116047  0.283060  0.361510  1
  Ni  Ni46  1  0.852566  0.756417  0.373906  1
  Ni  Ni47  1  0.782714  0.283060  0.361510  1
  Ni  Ni48  1  0.449381  0.283060  0.361510  1
  Ni  Ni49  1  0.510546  0.963018  0.392301  1
  Ni  Ni50  1  0.177212  0.963018  0.392301  1
  Ni  Ni51  1  0.108257  0.491230  0.380422  1
  Ni  Ni52  1  0.843879  0.963018  0.392301  1
  Ni  Ni53  1  0.774923  0.491230  0.380422  1
  Ni  Ni54  1  0.441590  0.491230  0.380422  1
  Ni  Ni55  1  0.323827  0.699259  0.398280  1
  Ni  Ni56  1  0.990494  0.699259  0.398280  1
  Ni  Ni57  1  0.921224  0.227372  0.386408  1
  Ni  Ni58  1  0.657161  0.699259  0.398280  1
  Ni  Ni59  1  0.587891  0.227372  0.386408  1
  Ni  Ni60  1  0.254558  0.227372  0.386408  1
  Ni  Ni61  1  0.315909  0.906965  0.416778  1
  Ni  Ni62  1  0.982576  0.906965  0.416778  1
  Ni  Ni63  1  0.913089  0.434525  0.404596  1
  Ni  Ni64  1  0.649242  0.906965  0.416778  1
  Ni  Ni65  1  0.579755  0.434525  0.404596  1
  Ni  Ni66  1  0.246422  0.434525  0.404596  1
  Ni  Ni67  1  0.128891  0.642996  0.422870  1
  Ni  Ni68  1  0.795557  0.642996  0.422870  1
  Ni  Ni69  1  0.726089  0.170849  0.410670  1
  Ni  Ni70  1  0.462224  0.642996  0.422870  1
  Ni  Ni71  1  0.392755  0.170849  0.410670  1
  Ni  Ni72  1  0.059422  0.170849  0.410670  1
  Ni  Ni73  1  0.120867  0.850281  0.441206  1
  Ni  Ni74  1  0.787534  0.850281  0.441206  1
  Ni  Ni75  1  0.718365  0.378494  0.429179  1
  Ni  Ni76  1  0.454201  0.850281  0.441206  1
  Ni  Ni77  1  0.385032  0.378494  0.429179  1
  Ni  Ni78  1  0.051699  0.378494  0.429179  1
  Ni  Ni79  1  0.933887  0.586305  0.447275  1
  Ni  Ni80  1  0.600553  0.586305  0.447275  1
  Ni  Ni81  1  0.531190  0.114281  0.435175  1
  Ni  Ni82  1  0.267220  0.586305  0.447275  1
  Ni  Ni83  1  0.197857  0.114281  0.435175  1
  Ni  Ni84  1  0.864523  0.114281  0.435175  1
  Ni  Ni85  1  0.926052  0.793945  0.465686  1
  Ni  Ni86  1  0.592719  0.793945  0.465686  1
  Ni  Ni87  1  0.523430  0.321929  0.453519  1
  Ni  Ni88  1  0.259385  0.793945  0.465686  1
  Ni  Ni89  1  0.190097  0.321929  0.453519  1
  Ni  Ni90  1  0.856763  0.321929  0.453519  1
  Ni  Ni91  1  0.739007  0.529948  0.471788  1
  Ni  Ni92  1  0.405674  0.529948  0.471788  1
  Ni  Ni93  1  0.336326  0.057932  0.459608  1
  Ni  Ni94  1  0.072341  0.529948  0.471788  1
  Ni  Ni95  1  0.002993  0.057932  0.459608  1
  Ni  Ni96  1  0.669659  0.057932  0.459608  1
  Ni  Ni97  1  0.731117  0.737415  0.490122  1
  Ni  Ni98  1  0.397784  0.737415  0.490122  1
  Ni  Ni99  1  0.328516  0.265488  0.477984  1
  Ni  Ni100  1  0.064450  0.737415  0.490122  1
  Ni  Ni101  1  0.995183  0.265488  0.477984  1
  Ni  Ni102  1  0.661849  0.265488  0.477984  1
  Ni  Ni103  1  0.544046  0.473380  0.496212  1
  Ni  Ni104  1  0.210712  0.473380  0.496212  1
  Ni  Ni105  1  0.141410  1.001392  0.484049  1
  Ni  Ni106  1  0.877379  0.473380  0.496212  1
  Ni  Ni107  1  0.808077  1.001392  0.484049  1
  Ni  Ni108  1  0.474743  1.001392  0.484049  1
  Ni  Ni109  1  0.536278  0.681041  0.514591  1
  Ni  Ni110  1  0.202944  0.681041  0.514591  1
  Ni  Ni111  1  0.133642  0.209053  0.502428  1
  Ni  Ni112  1  0.869611  0.681041  0.514591  1
  Ni  Ni113  1  0.800309  0.209053  0.502428  1
  Ni  Ni114  1  0.466976  0.209053  0.502428  1
  Ni  Ni115  1  0.349172  0.416945  0.520656  1
  Ni  Ni116  1  0.015839  0.416945  0.520656  1
  Ni  Ni117  1  0.946571  0.945018  0.508518  1
  Ni  Ni118  1  0.682505  0.416945  0.520656  1
  Ni  Ni119  1  0.613238  0.945018  0.508518  1
  Ni  Ni120  1  0.279904  0.945018  0.508518  1
  Ni  Ni121  1  0.341362  0.624501  0.539033  1
  Ni  Ni122  1  0.008029  0.624501  0.539033  1
  Ni  Ni123  1  0.938681  0.152485  0.526853  1
  Ni  Ni124  1  0.674695  0.624501  0.539033  1
  Ni  Ni125  1  0.605347  0.152485  0.526853  1
  Ni  Ni126  1  0.272014  0.152485  0.526853  1
  Ni  Ni127  1  0.154258  0.360504  0.545122  1
  Ni  Ni128  1  0.820925  0.360504  0.545122  1
  Ni  Ni129  1  0.751636  0.888488  0.532954  1
  Ni  Ni130  1  0.487591  0.360504  0.545122  1
  Ni  Ni131  1  0.418302  0.888488  0.532954  1
  Ni  Ni132  1  0.084969  0.888488  0.532954  1
  Ni  Ni133  1  0.146498  0.568152  0.563465  1
  Ni  Ni134  1  0.813164  0.568152  0.563465  1
  Ni  Ni135  1  0.743801  0.096128  0.551366  1
  Ni  Ni136  1  0.479831  0.568152  0.563465  1
  Ni  Ni137  1  0.410468  0.096128  0.551366  1
  Ni  Ni138  1  0.077135  0.096128  0.551366  1
  Ni  Ni139  1  0.959322  0.303940  0.569462  1
  Ni  Ni140  1  0.625989  0.303940  0.569462  1
  Ni  Ni141  1  0.556821  0.832152  0.557435  1
  Ni  Ni142  1  0.292656  0.303940  0.569462  1
  Ni  Ni143  1  0.223487  0.832152  0.557435  1
  Ni  Ni144  1  0.890154  0.832152  0.557435  1
  Ni  Ni145  1  0.951599  0.511584  0.587971  1
  Ni  Ni146  1  0.618266  0.511584  0.587971  1
  Ni  Ni147  1  0.548797  0.039437  0.575771  1
  Ni  Ni148  1  0.284933  0.511584  0.587971  1
  Ni  Ni149  1  0.215464  0.039437  0.575771  1
  Ni  Ni150  1  0.882131  0.039437  0.575771  1
  Ni  Ni151  1  0.764599  0.247908  0.594045  1
  Ni  Ni152  1  0.431266  0.247908  0.594045  1
  Ni  Ni153  1  0.361779  0.775468  0.581863  1
  Ni  Ni154  1  0.097933  0.247908  0.594045  1
  Ni  Ni155  1  0.028445  0.775468  0.581863  1
  Ni  Ni156  1  0.695112  0.775468  0.581863  1
  Ni  Ni157  1  0.756464  0.455061  0.612233  1
  Ni  Ni158  1  0.423130  0.455061  0.612233  1
  Ni  Ni159  1  0.353861  0.983174  0.600361  1
  Ni  Ni160  1  0.089797  0.455061  0.612233  1
  Ni  Ni161  1  0.020527  0.983174  0.600361  1
  Ni  Ni162  1  0.687194  0.983174  0.600361  1
  Ni  Ni163  1  0.569431  0.191203  0.618218  1
  Ni  Ni164  1  0.236098  0.191203  0.618218  1
  Ni  Ni165  1  0.167142  0.719416  0.606339  1
  Ni  Ni166  1  0.902765  0.191203  0.618218  1
  Ni  Ni167  1  0.833809  0.719416  0.606339  1
  Ni  Ni168  1  0.500475  0.719416  0.606339  1
  Ni  Ni169  1  0.561641  0.399373  0.637130  1
  Ni  Ni170  1  0.228307  0.399373  0.637130  1
  Ni  Ni171  1  0.158455  0.926016  0.624735  1
  Ni  Ni172  1  0.894974  0.399373  0.637130  1
  Ni  Ni173  1  0.825122  0.926016  0.624735  1
  Ni  Ni174  1  0.491788  0.926016  0.624735  1
  Ni  Ni175  1  0.375411  0.135545  0.642927  1
  Ni  Ni176  1  0.042078  0.135545  0.642927  1
  Ni  Ni177  1  0.971712  0.662087  0.630824  1
  Ni  Ni178  1  0.708744  0.135545  0.642927  1
  Ni  Ni179  1  0.638379  0.662087  0.630824  1
  Ni  Ni180  1  0.305045  0.662087  0.630824  1
  Ni  Ni181  1  0.364983  0.341124  0.660756  1
  Ni  Ni182  1  0.031649  0.341124  0.660756  1
  Ni  Ni183  1  0.963033  0.870342  0.649550  1
  Ni  Ni184  1  0.698316  0.341124  0.660756  1
  Ni  Ni185  1  0.629699  0.870342  0.649550  1
  Ni  Ni186  1  0.296366  0.870342  0.649550  1
  Ni  Ni187  1  0.180588  0.077508  0.666652  1
  Ni  Ni188  1  0.847255  0.077508  0.666652  1
  Ni  Ni189  1  0.777709  0.605464  0.654940  1
  Ni  Ni190  1  0.513921  0.077508  0.666652  1
  Ni  Ni191  1  0.444376  0.605464  0.654940  1
  Ni  Ni192  1  0.111043  0.605464  0.654940  1
  Ni  Ni193  1  0.168903  0.283883  0.685507  1
  Ni  Ni194  1  0.835569  0.283883  0.685507  1
  Ni  Ni195  1  0.764825  0.810664  0.673562  1
  Ni  Ni196  1  0.502236  0.283883  0.685507  1
  Ni  Ni197  1  0.431491  0.810664  0.673562  1
  Ni  Ni198  1  0.098158  0.810664  0.673562  1
  Ni  Ni199  1  0.987159  0.022852  0.691236  1
  Ni  Ni200  1  0.653826  0.022852  0.691236  1
  Ni  Ni201  1  0.581653  0.548267  0.679772  1
  Ni  Ni202  1  0.320493  0.022852  0.691236  1
  Ni  Ni203  1  0.248319  0.548267  0.679772  1
  Ni  Ni204  1  0.914986  0.548267  0.679772  1
  Ni  Ni205  1  0.972798  0.224633  0.708668  1
  Ni  Ni206  1  0.639464  0.224633  0.708668  1
  Ni  Ni207  1  0.568248  0.756715  0.698139  1
  Ni  Ni208  1  0.306131  0.224633  0.708668  1
  Ni  Ni209  1  0.234915  0.756715  0.698139  1
  Ni  Ni210  1  0.901582  0.756715  0.698139  1
  Ni  Ni211  1  0.788690  0.962063  0.714201  1
  Ni  Ni212  1  0.455357  0.962063  0.714201  1
  Ni  Ni213  1  0.384788  0.487984  0.702668  1
  Ni  Ni214  1  0.122023  0.962063  0.714201  1
  Ni  Ni215  1  0.051455  0.487984  0.702668  1
  Ni  Ni216  1  0.718122  0.487984  0.702668  1
