# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91308368
_cell_length_b   4.77291561
_cell_length_c   47.70269300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.97616192
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1894.24858557
_cell_formula_units_Z   78
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  0.733551  0.387721  0.292192  1
  Ni  Ni2  1  0.014174  0.337325  0.303362  1
  Ni  Ni3  1  0.450135  0.443496  0.281607  1
  Ni  Ni4  1  0.801802  0.845270  0.301271  1
  Ni  Ni5  1  0.241737  0.954277  0.280055  1
  Ni  Ni6  1  0.521905  0.898360  0.290431  1
  Ni  Ni7  1  0.574234  0.228272  0.327059  1
  Ni  Ni8  1  0.853255  0.175659  0.338131  1
  Ni  Ni9  1  0.293635  0.283990  0.315698  1
  Ni  Ni10  1  0.639812  0.685176  0.336352  1
  Ni  Ni11  1  0.080955  0.789041  0.313028  1
  Ni  Ni12  1  0.360841  0.737768  0.325489  1
  Ni  Ni13  1  0.411319  0.071032  0.361390  1
  Ni  Ni14  1  0.691068  0.016915  0.372831  1
  Ni  Ni15  1  0.131383  0.123584  0.349695  1
  Ni  Ni16  1  0.477975  0.526229  0.370981  1
  Ni  Ni17  1  0.918342  0.632565  0.347779  1
  Ni  Ni18  1  0.197453  0.580412  0.359469  1
  Ni  Ni19  1  0.249358  0.911841  0.395798  1
  Ni  Ni20  1  0.528996  0.858449  0.407357  1
  Ni  Ni21  1  0.969896  0.964629  0.384283  1
  Ni  Ni22  1  0.316015  0.367770  0.405384  1
  Ni  Ni23  1  0.757339  0.473166  0.382278  1
  Ni  Ni24  1  0.036507  0.420616  0.393809  1
  Ni  Ni25  1  0.087693  0.752555  0.430322  1
  Ni  Ni26  1  0.367136  0.699618  0.441839  1
  Ni  Ni27  1  0.808379  0.805212  0.418841  1
  Ni  Ni28  1  0.154341  0.208779  0.439838  1
  Ni  Ni29  1  0.595686  0.314479  0.416863  1
  Ni  Ni30  1  0.874981  0.261625  0.428326  1
  Ni  Ni31  1  0.926039  0.593471  0.464857  1
  Ni  Ni32  1  0.205424  0.540597  0.476355  1
  Ni  Ni33  1  0.646609  0.646465  0.453363  1
  Ni  Ni34  1  0.992690  0.049779  0.474349  1
  Ni  Ni35  1  0.433830  0.155786  0.451359  1
  Ni  Ni36  1  0.713297  0.102708  0.462855  1
  Ni  Ni37  1  0.764295  0.434577  0.499368  1
  Ni  Ni38  1  0.043732  0.381589  0.510874  1
  Ni  Ni39  1  0.484838  0.487629  0.487864  1
  Ni  Ni40  1  0.830979  0.890834  0.508866  1
  Ni  Ni41  1  0.272085  0.996874  0.485855  1
  Ni  Ni42  1  0.551522  0.943887  0.497361  1
  Ni  Ni43  1  0.602520  0.275756  0.533874  1
  Ni  Ni44  1  0.881987  0.222678  0.545370  1
  Ni  Ni45  1  0.323127  0.328685  0.522380  1
  Ni  Ni46  1  0.669208  0.731999  0.543366  1
  Ni  Ni47  1  0.110393  0.837867  0.520374  1
  Ni  Ni48  1  0.389778  0.784992  0.531872  1
  Ni  Ni49  1  0.440836  0.116839  0.568403  1
  Ni  Ni50  1  0.720131  0.063985  0.579866  1
  Ni  Ni51  1  0.161476  0.169685  0.556892  1
  Ni  Ni52  1  0.507438  0.573252  0.577888  1
  Ni  Ni53  1  0.948681  0.678845  0.554890  1
  Ni  Ni54  1  0.228124  0.625908  0.566407  1
  Ni  Ni55  1  0.279310  0.957848  0.602920  1
  Ni  Ni56  1  0.558478  0.905297  0.614452  1
  Ni  Ni57  1  0.999802  0.010694  0.591345  1
  Ni  Ni58  1  0.345921  0.413835  0.612447  1
  Ni  Ni59  1  0.786821  0.520014  0.589373  1
  Ni  Ni60  1  0.066459  0.466623  0.600931  1
  Ni  Ni61  1  0.118364  0.798052  0.637260  1
  Ni  Ni62  1  0.397475  0.745899  0.648950  1
  Ni  Ni63  1  0.837842  0.852234  0.625748  1
  Ni  Ni64  1  0.184434  0.254879  0.647034  1
  Ni  Ni65  1  0.624749  0.361549  0.623898  1
  Ni  Ni66  1  0.904498  0.307432  0.635339  1
  Ni  Ni67  1  0.954976  0.640695  0.671241  1
  Ni  Ni68  1  0.234862  0.589423  0.683701  1
  Ni  Ni69  1  0.676005  0.693288  0.660377  1
  Ni  Ni70  1  0.022182  0.094473  0.681031  1
  Ni  Ni71  1  0.462562  0.202805  0.658598  1
  Ni  Ni72  1  0.741583  0.150192  0.669670  1
  Ni  Ni73  1  0.793912  0.480104  0.706298  1
  Ni  Ni74  1  0.074080  0.424187  0.716674  1
  Ni  Ni75  1  0.514015  0.533193  0.695459  1
  Ni  Ni76  1  0.865682  0.934968  0.715122  1
  Ni  Ni77  1  0.301643  0.041139  0.693368  1
  Ni  Ni78  1  0.582266  0.990743  0.704537  1
