# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27452179
_cell_length_b   12.49998628
_cell_length_c   47.08084505
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.14815725
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2478.50215246
_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  0.006375  0.145548  0.281505  1
  Ni  Ni2  1  0.845277  0.473670  0.289946  1
  Ni  Ni3  1  0.681391  0.802660  0.297995  1
  Ni  Ni4  1  0.424467  0.980832  0.277876  1
  Ni  Ni5  1  0.269232  0.309051  0.285702  1
  Ni  Ni6  1  0.105685  0.638148  0.294067  1
  Ni  Ni7  1  0.517781  0.134215  0.307709  1
  Ni  Ni8  1  0.353849  0.463874  0.316167  1
  Ni  Ni9  1  0.188262  0.793842  0.324413  1
  Ni  Ni10  1  0.932448  0.967829  0.303040  1
  Ni  Ni11  1  0.769749  0.299202  0.311971  1
  Ni  Ni12  1  0.606105  0.628768  0.320352  1
  Ni  Ni13  1  0.023751  0.123343  0.333973  1
  Ni  Ni14  1  0.859431  0.453924  0.342668  1
  Ni  Ni15  1  0.693539  0.783752  0.351087  1
  Ni  Ni16  1  0.438009  0.958235  0.329822  1
  Ni  Ni17  1  0.274072  0.288813  0.338394  1
  Ni  Ni18  1  0.110547  0.618925  0.346879  1
  Ni  Ni19  1  0.527810  0.113810  0.360146  1
  Ni  Ni20  1  0.363596  0.443950  0.368767  1
  Ni  Ni21  1  0.198001  0.773972  0.377308  1
  Ni  Ni22  1  0.944091  0.948697  0.355721  1
  Ni  Ni23  1  0.780244  0.278787  0.364476  1
  Ni  Ni24  1  0.616080  0.609003  0.373031  1
  Ni  Ni25  1  0.032602  0.103780  0.386476  1
  Ni  Ni26  1  0.868030  0.433927  0.395153  1
  Ni  Ni27  1  0.702853  0.763819  0.403784  1
  Ni  Ni28  1  0.450392  0.938721  0.382111  1
  Ni  Ni29  1  0.285806  0.268884  0.390861  1
  Ni  Ni30  1  0.121519  0.598974  0.399437  1
  Ni  Ni31  1  0.537619  0.093825  0.412783  1
  Ni  Ni32  1  0.372856  0.423968  0.421455  1
  Ni  Ni33  1  0.207784  0.753927  0.430126  1
  Ni  Ni34  1  0.955975  0.928724  0.408349  1
  Ni  Ni35  1  0.791066  0.258879  0.417141  1
  Ni  Ni36  1  0.626574  0.588969  0.425767  1
  Ni  Ni37  1  0.042635  0.083835  0.439098  1
  Ni  Ni38  1  0.877814  0.413965  0.447788  1
  Ni  Ni39  1  0.712771  0.743940  0.456504  1
  Ni  Ni40  1  0.461252  0.918816  0.434693  1
  Ni  Ni41  1  0.296202  0.248908  0.443471  1
  Ni  Ni42  1  0.131568  0.579003  0.452116  1
  Ni  Ni43  1  0.547651  0.073884  0.465427  1
  Ni  Ni44  1  0.382813  0.403993  0.474112  1
  Ni  Ni45  1  0.217769  0.733994  0.482852  1
  Ni  Ni46  1  0.966361  0.908866  0.461009  1
  Ni  Ni47  1  0.801293  0.238922  0.469785  1
  Ni  Ni48  1  0.636551  0.569015  0.478454  1
  Ni  Ni49  1  0.052656  0.063907  0.491755  1
  Ni  Ni50  1  0.887846  0.394005  0.500436  1
  Ni  Ni51  1  0.722782  0.724034  0.509196  1
  Ni  Ni52  1  0.471408  0.898923  0.487351  1
  Ni  Ni53  1  0.306343  0.228952  0.496111  1
  Ni  Ni54  1  0.141534  0.559050  0.504791  1
  Ni  Ni55  1  0.557639  0.053942  0.518092  1
  Ni  Ni56  1  0.392896  0.384035  0.526761  1
  Ni  Ni57  1  0.227829  0.714091  0.535537  1
  Ni  Ni58  1  0.976421  0.888963  0.513695  1
  Ni  Ni59  1  0.811377  0.218964  0.522435  1
  Ni  Ni60  1  0.646539  0.549073  0.531119  1
  Ni  Ni61  1  0.062621  0.043954  0.544431  1
  Ni  Ni62  1  0.897988  0.374049  0.553076  1
  Ni  Ni63  1  0.732937  0.704141  0.561854  1
  Ni  Ni64  1  0.481419  0.879017  0.540042  1
  Ni  Ni65  1  0.316375  0.208992  0.548759  1
  Ni  Ni66  1  0.151554  0.539122  0.557448  1
  Ni  Ni67  1  0.567615  0.033988  0.570780  1
  Ni  Ni68  1  0.403123  0.364078  0.579406  1
  Ni  Ni69  1  0.238214  0.694233  0.588198  1
  Ni  Ni70  1  0.986405  0.869030  0.566420  1
  Ni  Ni71  1  0.821333  0.198989  0.575091  1
  Ni  Ni72  1  0.656571  0.529132  0.583764  1
  Ni  Ni73  1  0.072670  0.023983  0.597110  1
  Ni  Ni74  1  0.908383  0.354073  0.605686  1
  Ni  Ni75  1  0.743797  0.684236  0.614436  1
  Ni  Ni76  1  0.491337  0.859138  0.592763  1
  Ni  Ni77  1  0.326159  0.189030  0.601393  1
  Ni  Ni78  1  0.161588  0.519177  0.610070  1
  Ni  Ni79  1  0.578109  0.013954  0.623515  1
  Ni  Ni80  1  0.413946  0.344171  0.632071  1
  Ni  Ni81  1  0.250098  0.674260  0.640825  1
  Ni  Ni82  1  0.996188  0.848985  0.619239  1
  Ni  Ni83  1  0.830593  0.179007  0.627780  1
  Ni  Ni84  1  0.666379  0.509147  0.636400  1
  Ni  Ni85  1  0.083643  0.004032  0.649667  1
  Ni  Ni86  1  0.920117  0.334144  0.658153  1
  Ni  Ni87  1  0.756180  0.664723  0.666725  1
  Ni  Ni88  1  0.500651  0.839205  0.645460  1
  Ni  Ni89  1  0.334758  0.169033  0.653878  1
  Ni  Ni90  1  0.170438  0.499614  0.662574  1
  Ni  Ni91  1  0.588085  0.994189  0.676195  1
  Ni  Ni92  1  0.424440  0.323756  0.684576  1
  Ni  Ni93  1  0.261742  0.655128  0.693507  1
  Ni  Ni94  1  0.005928  0.829115  0.672133  1
  Ni  Ni95  1  0.840340  0.159084  0.680380  1
  Ni  Ni96  1  0.676409  0.488742  0.688838  1
  Ni  Ni97  1  0.088504  0.984810  0.702480  1
  Ni  Ni98  1  0.924958  0.313906  0.710845  1
  Ni  Ni99  1  0.769722  0.642125  0.718670  1
  Ni  Ni100  1  0.512799  0.820297  0.698552  1
  Ni  Ni101  1  0.348912  0.149287  0.706601  1
  Ni  Ni102  1  0.187815  0.477409  0.715042  1
