# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.94926676
_cell_length_b   4.81727794
_cell_length_c   47.65698041
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.06108576
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1918.86699074
_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  0.728513  0.402896  0.295227  1
  Ni  Ni2  1  0.009593  0.347141  0.305985  1
  Ni  Ni3  1  0.450434  0.457537  0.284326  1
  Ni  Ni4  1  0.796864  0.859968  0.304179  1
  Ni  Ni5  1  0.243535  0.963079  0.282864  1
  Ni  Ni6  1  0.519260  0.911384  0.293009  1
  Ni  Ni7  1  0.569420  0.242563  0.329045  1
  Ni  Ni8  1  0.849355  0.188931  0.340220  1
  Ni  Ni9  1  0.289646  0.297466  0.317359  1
  Ni  Ni10  1  0.636713  0.698552  0.338215  1
  Ni  Ni11  1  0.078105  0.803760  0.315109  1
  Ni  Ni12  1  0.358451  0.752612  0.327210  1
  Ni  Ni13  1  0.407355  0.086350  0.363180  1
  Ni  Ni14  1  0.687371  0.031591  0.374759  1
  Ni  Ni15  1  0.128093  0.137139  0.351399  1
  Ni  Ni16  1  0.474349  0.541582  0.372904  1
  Ni  Ni17  1  0.915326  0.645983  0.349465  1
  Ni  Ni18  1  0.194201  0.594810  0.361060  1
  Ni  Ni19  1  0.245610  0.927481  0.397651  1
  Ni  Ni20  1  0.525162  0.874844  0.409273  1
  Ni  Ni21  1  0.966560  0.979188  0.386162  1
  Ni  Ni22  1  0.311929  0.383883  0.407261  1
  Ni  Ni23  1  0.753669  0.488339  0.384228  1
  Ni  Ni24  1  0.032791  0.435833  0.395630  1
  Ni  Ni25  1  0.083889  0.769156  0.432276  1
  Ni  Ni26  1  0.363173  0.716893  0.443799  1
  Ni  Ni27  1  0.804736  0.821506  0.420794  1
  Ni  Ni28  1  0.150114  0.225694  0.441826  1
  Ni  Ni29  1  0.591655  0.330734  0.418866  1
  Ni  Ni30  1  0.870959  0.278057  0.430323  1
  Ni  Ni31  1  0.922010  0.611339  0.466891  1
  Ni  Ni32  1  0.201278  0.558920  0.478398  1
  Ni  Ni33  1  0.642633  0.664113  0.455360  1
  Ni  Ni34  1  0.988258  0.067762  0.476443  1
  Ni  Ni35  1  0.429464  0.173213  0.453386  1
  Ni  Ni36  1  0.708960  0.120344  0.464935  1
  Ni  Ni37  1  0.760015  0.453643  0.501465  1
  Ni  Ni38  1  0.039384  0.401017  0.513002  1
  Ni  Ni39  1  0.480605  0.506403  0.489918  1
  Ni  Ni40  1  0.826308  0.909944  0.511041  1
  Ni  Ni41  1  0.267529  0.015330  0.487957  1
  Ni  Ni42  1  0.546898  0.962704  0.499494  1
  Ni  Ni43  1  0.597953  0.296003  0.536024  1
  Ni  Ni44  1  0.877449  0.243134  0.547573  1
  Ni  Ni45  1  0.318655  0.348585  0.524516  1
  Ni  Ni46  1  0.664280  0.752234  0.545600  1
  Ni  Ni47  1  0.105635  0.857427  0.522561  1
  Ni  Ni48  1  0.384903  0.805008  0.534068  1
  Ni  Ni49  1  0.435954  0.138290  0.570637  1
  Ni  Ni50  1  0.715258  0.085613  0.582093  1
  Ni  Ni51  1  0.156799  0.190653  0.559133  1
  Ni  Ni52  1  0.502177  0.594841  0.580165  1
  Ni  Ni53  1  0.943740  0.699454  0.557160  1
  Ni  Ni54  1  0.223024  0.647192  0.568683  1
  Ni  Ni55  1  0.274122  0.980514  0.605329  1
  Ni  Ni56  1  0.553244  0.928008  0.616731  1
  Ni  Ni57  1  0.994984  0.032464  0.593698  1
  Ni  Ni58  1  0.340353  0.437159  0.614797  1
  Ni  Ni59  1  0.781751  0.541504  0.591687  1
  Ni  Ni60  1  0.061303  0.488866  0.603308  1
  Ni  Ni61  1  0.112712  0.821537  0.639899  1
  Ni  Ni62  1  0.391587  0.770364  0.651494  1
  Ni  Ni63  1  0.832564  0.874765  0.628055  1
  Ni  Ni64  1  0.178820  0.279209  0.649560  1
  Ni  Ni65  1  0.619542  0.384756  0.626200  1
  Ni  Ni66  1  0.899558  0.329997  0.637779  1
  Ni  Ni67  1  0.948462  0.663735  0.673749  1
  Ni  Ni68  1  0.228808  0.612587  0.685850  1
  Ni  Ni69  1  0.670200  0.717795  0.662744  1
  Ni  Ni70  1  0.017267  0.118881  0.683600  1
  Ni  Ni71  1  0.457558  0.227416  0.660739  1
  Ni  Ni72  1  0.737493  0.173784  0.671914  1
  Ni  Ni73  1  0.787654  0.504963  0.707950  1
  Ni  Ni74  1  0.063378  0.453268  0.718095  1
  Ni  Ni75  1  0.510049  0.556379  0.696780  1
  Ni  Ni76  1  0.856480  0.958810  0.716633  1
  Ni  Ni77  1  0.297320  0.069206  0.694974  1
  Ni  Ni78  1  0.578400  0.013451  0.705732  1
