# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26960143
_cell_length_b   12.26534161
_cell_length_c   47.08967527
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.94135126
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2428.09412419
_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  0.098088  0.977015  0.277583  1
  Ni  Ni2  1  0.925042  0.304215  0.285777  1
  Ni  Ni3  1  0.757504  0.633539  0.294255  1
  Ni  Ni4  1  0.365471  0.140507  0.281447  1
  Ni  Ni5  1  0.195936  0.469045  0.290072  1
  Ni  Ni6  1  0.029246  0.797482  0.298539  1
  Ni  Ni7  1  0.604395  0.962671  0.303302  1
  Ni  Ni8  1  0.436181  0.294009  0.312338  1
  Ni  Ni9  1  0.269543  0.623243  0.320856  1
  Ni  Ni10  1  0.861882  0.129375  0.308072  1
  Ni  Ni11  1  0.695611  0.458533  0.316574  1
  Ni  Ni12  1  0.528469  0.788820  0.324876  1
  Ni  Ni13  1  0.109628  0.953497  0.329604  1
  Ni  Ni14  1  0.945372  0.283499  0.338241  1
  Ni  Ni15  1  0.778083  0.613495  0.346740  1
  Ni  Ni16  1  0.363672  0.118026  0.333702  1
  Ni  Ni17  1  0.196843  0.448393  0.342539  1
  Ni  Ni18  1  0.031933  0.778240  0.351058  1
  Ni  Ni19  1  0.615368  0.943036  0.355582  1
  Ni  Ni20  1  0.450150  0.272816  0.364412  1
  Ni  Ni21  1  0.283648  0.602856  0.373048  1
  Ni  Ni22  1  0.868132  0.108041  0.360067  1
  Ni  Ni23  1  0.702162  0.437970  0.368740  1
  Ni  Ni24  1  0.537659  0.767595  0.377365  1
  Ni  Ni25  1  0.119926  0.932327  0.381931  1
  Ni  Ni26  1  0.954710  0.262419  0.390789  1
  Ni  Ni27  1  0.788838  0.592257  0.399432  1
  Ni  Ni28  1  0.373514  0.097342  0.386348  1
  Ni  Ni29  1  0.208104  0.427325  0.395116  1
  Ni  Ni30  1  0.043277  0.757037  0.403807  1
  Ni  Ni31  1  0.624655  0.921852  0.408262  1
  Ni  Ni32  1  0.459756  0.251787  0.417098  1
  Ni  Ni33  1  0.294181  0.581692  0.425804  1
  Ni  Ni34  1  0.878822  0.086813  0.412698  1
  Ni  Ni35  1  0.713500  0.416801  0.421459  1
  Ni  Ni36  1  0.548646  0.746537  0.430179  1
  Ni  Ni37  1  0.129705  0.911371  0.434628  1
  Ni  Ni38  1  0.964867  0.241261  0.443446  1
  Ni  Ni39  1  0.799536  0.571150  0.452171  1
  Ni  Ni40  1  0.384051  0.076289  0.439040  1
  Ni  Ni41  1  0.218850  0.406218  0.447808  1
  Ni  Ni42  1  0.053974  0.736005  0.456561  1
  Ni  Ni43  1  0.634904  0.900858  0.460985  1
  Ni  Ni44  1  0.470064  0.230712  0.469788  1
  Ni  Ni45  1  0.304858  0.560598  0.478535  1
  Ni  Ni46  1  0.889277  0.065770  0.465395  1
  Ni  Ni47  1  0.724132  0.395678  0.474160  1
  Ni  Ni48  1  0.559260  0.725482  0.482930  1
  Ni  Ni49  1  0.140148  0.890343  0.487350  1
  Ni  Ni50  1  0.975291  0.220174  0.496138  1
  Ni  Ni51  1  0.810146  0.550065  0.504896  1
  Ni  Ni52  1  0.394537  0.055236  0.491751  1
  Ni  Ni53  1  0.229391  0.385127  0.500509  1
  Ni  Ni54  1  0.064535  0.714957  0.509296  1
  Ni  Ni55  1  0.645423  0.879819  0.513716  1
  Ni  Ni56  1  0.480551  0.209623  0.522487  1
  Ni  Ni57  1  0.315405  0.539531  0.531251  1
  Ni  Ni58  1  0.899824  0.044703  0.518111  1
  Ni  Ni59  1  0.734619  0.374589  0.526858  1
  Ni  Ni60  1  0.569779  0.704443  0.535662  1
  Ni  Ni61  1  0.150709  0.869296  0.540085  1
  Ni  Ni62  1  0.985833  0.199083  0.548839  1
  Ni  Ni63  1  0.820631  0.529012  0.557606  1
  Ni  Ni64  1  0.405147  0.034150  0.544475  1
  Ni  Ni65  1  0.239816  0.364040  0.553201  1
  Ni  Ni66  1  0.074978  0.693930  0.562019  1
  Ni  Ni67  1  0.656036  0.858764  0.566467  1
  Ni  Ni68  1  0.491183  0.188500  0.575187  1
  Ni  Ni69  1  0.325860  0.518488  0.583949  1
  Ni  Ni70  1  0.910502  0.023609  0.570842  1
  Ni  Ni71  1  0.744927  0.353513  0.579549  1
  Ni  Ni72  1  0.580028  0.683449  0.588384  1
  Ni  Ni73  1  0.161405  0.848264  0.592840  1
  Ni  Ni74  1  0.996579  0.177976  0.601530  1
  Ni  Ni75  1  0.831169  0.507958  0.610298  1
  Ni  Ni76  1  0.415845  0.013044  0.597215  1
  Ni  Ni77  1  0.249973  0.342881  0.605857  1
  Ni  Ni78  1  0.084756  0.672974  0.614715  1
  Ni  Ni79  1  0.667024  0.837706  0.619281  1
  Ni  Ni80  1  0.502520  0.167331  0.627906  1
  Ni  Ni81  1  0.336551  0.497259  0.636580  1
  Ni  Ni82  1  0.921035  0.002445  0.623599  1
  Ni  Ni83  1  0.754532  0.332485  0.632235  1
  Ni  Ni84  1  0.589315  0.662265  0.641065  1
  Ni  Ni85  1  0.172749  0.827061  0.645588  1
  Ni  Ni86  1  0.007839  0.156907  0.654107  1
  Ni  Ni87  1  0.841011  0.487275  0.662944  1
  Ni  Ni88  1  0.426600  0.991806  0.649907  1
  Ni  Ni89  1  0.259311  0.321802  0.658406  1
  Ni  Ni90  1  0.095054  0.651804  0.667043  1
  Ni  Ni91  1  0.676214  0.816481  0.671770  1
  Ni  Ni92  1  0.509072  0.146768  0.680072  1
  Ni  Ni93  1  0.342801  0.475926  0.688574  1
  Ni  Ni94  1  0.935140  0.982058  0.675790  1
  Ni  Ni95  1  0.768502  0.311292  0.684309  1
  Ni  Ni96  1  0.600288  0.642630  0.693344  1
  Ni  Ni97  1  0.175437  0.807819  0.698107  1
  Ni  Ni98  1  0.008746  0.136256  0.706574  1
  Ni  Ni99  1  0.839211  0.464794  0.715199  1
  Ni  Ni100  1  0.447179  0.971762  0.702392  1
  Ni  Ni101  1  0.279641  0.301086  0.710870  1
  Ni  Ni102  1  0.106595  0.628286  0.719064  1
