# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18739217
_cell_length_b   12.44052697
_cell_length_c   46.06774703
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.57264318
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2366.40774405
_cell_formula_units_Z   102
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  0.173184  0.160696  0.285151  1
  Ni  Ni2  1  0.335916  0.487401  0.293100  1
  Ni  Ni3  1  0.496161  0.824941  0.300357  1
  Ni  Ni4  1  0.421887  1.004184  0.282276  1
  Ni  Ni5  1  0.573480  0.323221  0.289000  1
  Ni  Ni6  1  0.729380  0.652411  0.297218  1
  Ni  Ni7  1  0.666522  0.152135  0.308194  1
  Ni  Ni8  1  0.824230  0.479082  0.315721  1
  Ni  Ni9  1  0.985916  0.808779  0.323438  1
  Ni  Ni10  1  0.914253  0.986742  0.303978  1
  Ni  Ni11  1  0.076626  0.315073  0.311759  1
  Ni  Ni12  1  0.235875  0.644005  0.319694  1
  Ni  Ni13  1  0.157566  0.136769  0.333642  1
  Ni  Ni14  1  0.317279  0.468475  0.341911  1
  Ni  Ni15  1  0.480427  0.795456  0.349890  1
  Ni  Ni16  1  0.409581  0.972887  0.330021  1
  Ni  Ni17  1  0.571399  0.303731  0.337852  1
  Ni  Ni18  1  0.734843  0.632032  0.346053  1
  Ni  Ni19  1  0.650146  0.127094  0.359811  1
  Ni  Ni20  1  0.811370  0.456912  0.367956  1
  Ni  Ni21  1  0.976585  0.786303  0.376338  1
  Ni  Ni22  1  0.902339  0.960178  0.354940  1
  Ni  Ni23  1  0.067281  0.291509  0.363643  1
  Ni  Ni24  1  0.230243  0.621795  0.372107  1
  Ni  Ni25  1  0.143779  0.116007  0.386338  1
  Ni  Ni26  1  0.307344  0.447244  0.394810  1
  Ni  Ni27  1  0.473144  0.777201  0.403391  1
  Ni  Ni28  1  0.397579  0.950821  0.381913  1
  Ni  Ni29  1  0.561800  0.282174  0.390708  1
  Ni  Ni30  1  0.725301  0.612630  0.398985  1
  Ni  Ni31  1  0.640023  0.107629  0.412933  1
  Ni  Ni32  1  0.804031  0.438443  0.421323  1
  Ni  Ni33  1  0.969593  0.768439  0.429970  1
  Ni  Ni34  1  0.891744  0.942083  0.408282  1
  Ni  Ni35  1  0.056345  0.272896  0.417092  1
  Ni  Ni36  1  0.220341  0.603508  0.425511  1
  Ni  Ni37  1  0.135875  0.098647  0.439372  1
  Ni  Ni38  1  0.300041  0.429272  0.447841  1
  Ni  Ni39  1  0.465394  0.759516  0.456573  1
  Ni  Ni40  1  0.386520  0.933383  0.434839  1
  Ni  Ni41  1  0.551476  0.264061  0.443668  1
  Ni  Ni42  1  0.715674  0.594586  0.452088  1
  Ni  Ni43  1  0.631420  0.089666  0.465863  1
  Ni  Ni44  1  0.795784  0.420293  0.474347  1
  Ni  Ni45  1  0.960961  0.750539  0.483129  1
  Ni  Ni46  1  0.881746  0.924475  0.461302  1
  Ni  Ni47  1  0.046773  0.254938  0.470130  1
  Ni  Ni48  1  0.211201  0.585479  0.478605  1
  Ni  Ni49  1  0.126870  0.080585  0.492370  1
  Ni  Ni50  1  0.291313  0.411151  0.500861  1
  Ni  Ni51  1  0.456410  0.741511  0.509671  1
  Ni  Ni52  1  0.377191  0.915505  0.487849  1
  Ni  Ni53  1  0.542289  0.245865  0.496660  1
  Ni  Ni54  1  0.706731  0.576431  0.505151  1
  Ni  Ni55  1  0.622400  0.071537  0.518916  1
  Ni  Ni56  1  0.786828  0.402078  0.527391  1
  Ni  Ni57  1  0.951856  0.732541  0.536219  1
  Ni  Ni58  1  0.872641  0.906478  0.514391  1
  Ni  Ni59  1  0.037817  0.236724  0.523174  1
  Ni  Ni60  1  0.202182  0.567350  0.531657  1
  Ni  Ni61  1  0.117928  0.062430  0.545433  1
  Ni  Ni62  1  0.282126  0.392955  0.553853  1
  Ni  Ni63  1  0.447081  0.723633  0.562682  1
  Ni  Ni64  1  0.368207  0.897500  0.540948  1
  Ni  Ni65  1  0.533561  0.227744  0.549680  1
  Ni  Ni66  1  0.697727  0.558369  0.558149  1
  Ni  Ni67  1  0.613261  0.053508  0.572009  1
  Ni  Ni68  1  0.777257  0.384120  0.580429  1
  Ni  Ni69  1  0.941857  0.714934  0.589239  1
  Ni  Ni70  1  0.864009  0.888577  0.567551  1
  Ni  Ni71  1  0.029570  0.218573  0.576198  1
  Ni  Ni72  1  0.193579  0.549387  0.584588  1
  Ni  Ni73  1  0.108300  0.044386  0.598536  1
  Ni  Ni74  1  0.271801  0.374842  0.606813  1
  Ni  Ni75  1  0.436022  0.706195  0.615608  1
  Ni  Ni76  1  0.360457  0.879815  0.594129  1
  Ni  Ni77  1  0.526257  0.209772  0.602711  1
  Ni  Ni78  1  0.689823  0.541009  0.611182  1
  Ni  Ni79  1  0.603359  0.035221  0.625414  1
  Ni  Ni80  1  0.766320  0.365507  0.633878  1
  Ni  Ni81  1  0.931262  0.696838  0.642580  1
  Ni  Ni82  1  0.857016  0.870714  0.621182  1
  Ni  Ni83  1  0.022231  0.200104  0.629565  1
  Ni  Ni84  1  0.183455  0.529922  0.637710  1
  Ni  Ni85  1  0.098758  0.024984  0.651468  1
  Ni  Ni86  1  0.262202  0.353285  0.659668  1
  Ni  Ni87  1  0.424021  0.684129  0.667499  1
  Ni  Ni88  1  0.353174  0.861560  0.647631  1
  Ni  Ni89  1  0.516322  0.188541  0.655609  1
  Ni  Ni90  1  0.676035  0.520247  0.663879  1
  Ni  Ni91  1  0.597726  0.013011  0.677827  1
  Ni  Ni92  1  0.756976  0.341943  0.685761  1
  Ni  Ni93  1  0.919348  0.670274  0.693543  1
  Ni  Ni94  1  0.847685  0.848237  0.674082  1
  Ni  Ni95  1  0.009372  0.177934  0.681800  1
  Ni  Ni96  1  0.167079  0.504882  0.689327  1
  Ni  Ni97  1  0.104221  1.004605  0.700302  1
  Ni  Ni98  1  0.260122  0.333795  0.708521  1
  Ni  Ni99  1  0.411715  0.652832  0.715245  1
  Ni  Ni100  1  0.337441  0.832075  0.697164  1
  Ni  Ni101  1  0.497685  0.169615  0.704420  1
  Ni  Ni102  1  0.660418  0.496320  0.712370  1
