# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96498992
_cell_length_b   11.06389119
_cell_length_c   48.51607099
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni108
_cell_volume   2597.60847452
_cell_formula_units_Z   108
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  0.727557  0.035016  0.287820  1
  Ni  Ni2  1  0.884606  0.348913  0.302649  1
  Ni  Ni3  1  0.570199  0.720155  0.272929  1
  Ni  Ni4  1  0.043177  0.167049  0.320095  1
  Ni  Ni5  1  0.729067  0.537057  0.287268  1
  Ni  Ni6  1  0.888434  0.851786  0.303357  1
  Ni  Ni7  1  0.543966  0.167051  0.320094  1
  Ni  Ni8  1  0.228310  0.537110  0.287262  1
  Ni  Ni9  1  0.383568  0.851801  0.303368  1
  Ni  Ni10  1  0.228786  0.037464  0.287930  1
  Ni  Ni11  1  0.384870  0.349484  0.302607  1
  Ni  Ni12  1  0.543244  0.666362  0.320906  1
  Ni  Ni13  1  0.201486  0.982951  0.336900  1
  Ni  Ni14  1  0.359232  0.298510  0.353111  1
  Ni  Ni15  1  0.043933  0.667750  0.319457  1
  Ni  Ni16  1  0.517247  0.114195  0.369969  1
  Ni  Ni17  1  0.200370  0.481316  0.336257  1
  Ni  Ni18  1  0.358724  0.798444  0.353339  1
  Ni  Ni19  1  0.016828  0.114196  0.369970  1
  Ni  Ni20  1  0.700978  0.481305  0.336260  1
  Ni  Ni21  1  0.859686  0.798446  0.353335  1
  Ni  Ni22  1  0.701045  0.982045  0.336736  1
  Ni  Ni23  1  0.859237  0.298508  0.353152  1
  Ni  Ni24  1  0.016646  0.613420  0.369591  1
  Ni  Ni25  1  0.674694  0.929583  0.386718  1
  Ni  Ni26  1  0.832484  0.245240  0.403332  1
  Ni  Ni27  1  0.516438  0.613004  0.370070  1
  Ni  Ni28  1  0.990250  0.060925  0.420071  1
  Ni  Ni29  1  0.674689  0.429318  0.386557  1
  Ni  Ni30  1  0.832469  0.744859  0.403290  1
  Ni  Ni31  1  0.490324  0.060925  0.420071  1
  Ni  Ni32  1  0.174435  0.429322  0.386556  1
  Ni  Ni33  1  0.332110  0.744858  0.403292  1
  Ni  Ni34  1  0.174755  0.929710  0.386767  1
  Ni  Ni35  1  0.332487  0.245247  0.403309  1
  Ni  Ni36  1  0.490097  0.560546  0.420054  1
  Ni  Ni37  1  0.147950  0.876334  0.436738  1
  Ni  Ni38  1  0.305810  0.192124  0.453436  1
  Ni  Ni39  1  0.990156  0.560664  0.419919  1
  Ni  Ni40  1  0.463552  0.007672  0.470127  1
  Ni  Ni41  1  0.147958  0.376412  0.436713  1
  Ni  Ni42  1  0.305675  0.691962  0.453405  1
  Ni  Ni43  1  0.963535  0.007671  0.470127  1
  Ni  Ni44  1  0.648027  0.376411  0.436714  1
  Ni  Ni45  1  0.805781  0.691962  0.453404  1
  Ni  Ni46  1  0.647932  0.876295  0.436720  1
  Ni  Ni47  1  0.805805  0.192115  0.453442  1
  Ni  Ni48  1  0.963557  0.507696  0.470099  1
  Ni  Ni49  1  0.621324  0.823309  0.486820  1
  Ni  Ni50  1  0.779103  0.138945  0.503518  1
  Ni  Ni51  1  0.463545  0.507671  0.470127  1
  Ni  Ni52  1  0.936928  0.954651  0.520231  1
  Ni  Ni53  1  0.621366  0.323344  0.486821  1
  Ni  Ni54  1  0.779158  0.639006  0.503519  1
  Ni  Ni55  1  0.436908  0.954651  0.520231  1
  Ni  Ni56  1  0.121320  0.323344  0.486821  1
  Ni  Ni57  1  0.279113  0.639006  0.503519  1
  Ni  Ni58  1  0.121330  0.823321  0.486823  1
  Ni  Ni59  1  0.279109  0.138956  0.503523  1
  Ni  Ni60  1  0.436901  0.454615  0.520191  1
  Ni  Ni61  1  0.094749  0.770387  0.536931  1
  Ni  Ni62  1  0.252485  0.085940  0.553652  1
  Ni  Ni63  1  0.936888  0.454588  0.520221  1
  Ni  Ni64  1  0.410351  0.901829  0.570366  1
  Ni  Ni65  1  0.094587  0.270172  0.536906  1
  Ni  Ni66  1  0.252438  0.585912  0.553594  1
  Ni  Ni67  1  0.910436  0.901829  0.570366  1
  Ni  Ni68  1  0.594693  0.270173  0.536905  1
  Ni  Ni69  1  0.752508  0.585911  0.553595  1
  Ni  Ni70  1  0.594745  0.770378  0.536938  1
  Ni  Ni71  1  0.752467  0.085904  0.553629  1
  Ni  Ni72  1  0.910122  0.401290  0.570340  1
  Ni  Ni73  1  0.568111  0.717338  0.587005  1
  Ni  Ni74  1  0.725980  0.033154  0.603821  1
  Ni  Ni75  1  0.410188  0.401422  0.570202  1
  Ni  Ni76  1  0.884023  0.848952  0.620419  1
  Ni  Ni77  1  0.568128  0.217023  0.587035  1
  Ni  Ni78  1  0.725845  0.532614  0.603613  1
  Ni  Ni79  1  0.383653  0.848953  0.620420  1
  Ni  Ni80  1  0.067768  0.217021  0.587037  1
  Ni  Ni81  1  0.225575  0.532619  0.603612  1
  Ni  Ni82  1  0.068117  0.717353  0.586979  1
  Ni  Ni83  1  0.226043  0.033287  0.603886  1
  Ni  Ni84  1  0.383464  0.348205  0.620112  1
  Ni  Ni85  1  0.041411  0.664179  0.636922  1
  Ni  Ni86  1  0.199507  0.980485  0.654129  1
  Ni  Ni87  1  0.883221  0.347716  0.620596  1
  Ni  Ni88  1  0.356989  0.795991  0.670259  1
  Ni  Ni89  1  0.040902  0.164258  0.637372  1
  Ni  Ni90  1  0.198398  0.479063  0.653532  1
  Ni  Ni91  1  0.857480  0.795994  0.670259  1
  Ni  Ni92  1  0.542007  0.164260  0.637368  1
  Ni  Ni93  1  0.699236  0.479050  0.653535  1
  Ni  Ni94  1  0.541381  0.664105  0.636970  1
  Ni  Ni95  1  0.699133  0.979706  0.653932  1
  Ni  Ni96  1  0.857098  0.295666  0.671486  1
  Ni  Ni97  1  0.514262  0.610045  0.686452  1
  Ni  Ni98  1  0.671508  0.924819  0.703890  1
  Ni  Ni99  1  0.357778  0.297036  0.669787  1
  Ni  Ni100  1  0.828553  0.738354  0.718762  1
  Ni  Ni101  1  0.516695  0.111207  0.687424  1
  Ni  Ni102  1  0.674192  0.429310  0.703687  1
  Ni  Ni103  1  0.328144  0.738350  0.718761  1
  Ni  Ni104  1  0.012858  0.111224  0.687437  1
  Ni  Ni105  1  0.173606  0.429367  0.703681  1
  Ni  Ni106  1  0.014493  0.610561  0.686378  1
  Ni  Ni107  1  0.172267  0.926322  0.704067  1
  Ni  Ni108  1  0.331798  0.245182  0.717658  1
