# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29561699
_cell_length_b   12.62949952
_cell_length_c   46.99158848
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.80156812
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2512.15136604
_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  0.155129  0.145206  0.284365  1
  Ni  Ni2  1  0.319871  0.472512  0.293008  1
  Ni  Ni3  1  0.482049  0.804683  0.300880  1
  Ni  Ni4  1  0.411787  0.984239  0.280658  1
  Ni  Ni5  1  0.572184  0.308316  0.288739  1
  Ni  Ni6  1  0.732177  0.637022  0.297394  1
  Ni  Ni7  1  0.650453  0.134179  0.309790  1
  Ni  Ni8  1  0.813592  0.463596  0.318356  1
  Ni  Ni9  1  0.978073  0.794062  0.326486  1
  Ni  Ni10  1  0.904876  0.968872  0.305155  1
  Ni  Ni11  1  0.069179  0.299020  0.314126  1
  Ni  Ni12  1  0.232426  0.628594  0.322560  1
  Ni  Ni13  1  0.146058  0.123391  0.335699  1
  Ni  Ni14  1  0.310500  0.454114  0.344530  1
  Ni  Ni15  1  0.474715  0.783960  0.352899  1
  Ni  Ni16  1  0.399832  0.958937  0.331579  1
  Ni  Ni17  1  0.562683  0.288900  0.340231  1
  Ni  Ni18  1  0.727543  0.619123  0.348815  1
  Ni  Ni19  1  0.641677  0.114035  0.361993  1
  Ni  Ni20  1  0.805897  0.444148  0.370686  1
  Ni  Ni21  1  0.970671  0.774256  0.379204  1
  Ni  Ni22  1  0.893673  0.948856  0.357449  1
  Ni  Ni23  1  0.058075  0.278966  0.366346  1
  Ni  Ni24  1  0.222745  0.609217  0.374993  1
  Ni  Ni25  1  0.136569  0.104003  0.388361  1
  Ni  Ni26  1  0.301074  0.434186  0.397131  1
  Ni  Ni27  1  0.466042  0.764178  0.405753  1
  Ni  Ni28  1  0.388581  0.938996  0.383997  1
  Ni  Ni29  1  0.553157  0.269130  0.392804  1
  Ni  Ni30  1  0.718044  0.599245  0.401463  1
  Ni  Ni31  1  0.631674  0.094167  0.414752  1
  Ni  Ni32  1  0.796351  0.424294  0.423487  1
  Ni  Ni33  1  0.961364  0.754343  0.432155  1
  Ni  Ni34  1  0.883444  0.929120  0.410273  1
  Ni  Ni35  1  0.048222  0.259205  0.419131  1
  Ni  Ni36  1  0.213146  0.589322  0.427828  1
  Ni  Ni37  1  0.126676  0.084252  0.441126  1
  Ni  Ni38  1  0.291505  0.414376  0.449883  1
  Ni  Ni39  1  0.456506  0.744408  0.458604  1
  Ni  Ni40  1  0.378455  0.919244  0.436723  1
  Ni  Ni41  1  0.543296  0.249316  0.445533  1
  Ni  Ni42  1  0.708285  0.579426  0.454243  1
  Ni  Ni43  1  0.621741  0.074377  0.467521  1
  Ni  Ni44  1  0.786646  0.404485  0.476262  1
  Ni  Ni45  1  0.951629  0.734532  0.485014  1
  Ni  Ni46  1  0.873473  0.909362  0.463091  1
  Ni  Ni47  1  0.038383  0.239416  0.471899  1
  Ni  Ni48  1  0.203361  0.569521  0.480627  1
  Ni  Ni49  1  0.116786  0.064478  0.493904  1
  Ni  Ni50  1  0.281749  0.394583  0.502643  1
  Ni  Ni51  1  0.446696  0.724631  0.511422  1
  Ni  Ni52  1  0.368535  0.899479  0.489509  1
  Ni  Ni53  1  0.533482  0.229527  0.498287  1
  Ni  Ni54  1  0.698445  0.559632  0.507027  1
  Ni  Ni55  1  0.611869  0.054589  0.520303  1
  Ni  Ni56  1  0.776847  0.384694  0.529031  1
  Ni  Ni57  1  0.941758  0.714747  0.537839  1
  Ni  Ni58  1  0.863602  0.889578  0.515916  1
  Ni  Ni59  1  0.028585  0.219625  0.524668  1
  Ni  Ni60  1  0.193490  0.549732  0.533410  1
  Ni  Ni61  1  0.106946  0.044684  0.546688  1
  Ni  Ni62  1  0.271935  0.374794  0.555397  1
  Ni  Ni63  1  0.436775  0.704866  0.564208  1
  Ni  Ni64  1  0.358724  0.879702  0.542326  1
  Ni  Ni65  1  0.523726  0.209734  0.551047  1
  Ni  Ni66  1  0.688554  0.539858  0.559804  1
  Ni  Ni67  1  0.602085  0.034788  0.573102  1
  Ni  Ni68  1  0.767009  0.364905  0.581799  1
  Ni  Ni69  1  0.931787  0.694990  0.590657  1
  Ni  Ni70  1  0.853867  0.869767  0.568775  1
  Ni  Ni71  1  0.018880  0.199816  0.577444  1
  Ni  Ni72  1  0.183556  0.529943  0.586178  1
  Ni  Ni73  1  0.097186  0.024865  0.599467  1
  Ni  Ni74  1  0.262074  0.354980  0.608126  1
  Ni  Ni75  1  0.426650  0.685114  0.616933  1
  Ni  Ni76  1  0.349189  0.859932  0.595177  1
  Ni  Ni77  1  0.514157  0.189924  0.603800  1
  Ni  Ni78  1  0.678661  0.520107  0.612569  1
  Ni  Ni79  1  0.592486  0.014893  0.625938  1
  Ni  Ni80  1  0.757156  0.345144  0.634584  1
  Ni  Ni81  1  0.921557  0.675254  0.643481  1
  Ni  Ni82  1  0.844560  0.849854  0.621727  1
  Ni  Ni83  1  0.009333  0.179962  0.630244  1
  Ni  Ni84  1  0.173554  0.510075  0.638937  1
  Ni  Ni85  1  0.087688  0.004987  0.652115  1
  Ni  Ni86  1  0.252548  0.335210  0.660700  1
  Ni  Ni87  1  0.415399  0.665173  0.669351  1
  Ni  Ni88  1  0.340516  0.840150  0.648032  1
  Ni  Ni89  1  0.504731  0.169996  0.656400  1
  Ni  Ni90  1  0.669173  0.500719  0.665231  1
  Ni  Ni91  1  0.582805  0.995516  0.678371  1
  Ni  Ni92  1  0.746052  0.325090  0.686804  1
  Ni  Ni93  1  0.910355  0.655237  0.695776  1
  Ni  Ni94  1  0.837158  0.830048  0.674445  1
  Ni  Ni95  1  1.001639  0.160514  0.682574  1
  Ni  Ni96  1  0.164778  0.489931  0.691140  1
  Ni  Ni97  1  0.083054  0.987088  0.703536  1
  Ni  Ni98  1  0.243047  0.315794  0.712191  1
  Ni  Ni99  1  0.403444  0.639871  0.720273  1
  Ni  Ni100  1  0.333182  0.819427  0.700051  1
  Ni  Ni101  1  0.495359  0.151598  0.707922  1
  Ni  Ni102  1  0.660102  0.478904  0.716565  1
