# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14890657
_cell_length_b   10.71921093
_cell_length_c   45.94605088
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni84
_cell_volume   2043.35893326
_cell_formula_units_Z   84
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  0.253575  0.517420  0.297892  1
  Ni  Ni2  1  0.253575  0.300414  0.278814  1
  Ni  Ni3  1  0.253575  0.912761  0.288175  1
  Ni  Ni4  1  0.753575  0.387133  0.300279  1
  Ni  Ni5  1  0.753575  0.171590  0.281415  1
  Ni  Ni6  1  0.753575  0.780818  0.291669  1
  Ni  Ni7  1  0.253575  0.333260  0.330243  1
  Ni  Ni8  1  0.253575  0.119904  0.308844  1
  Ni  Ni9  1  0.253575  0.727477  0.318633  1
  Ni  Ni10  1  0.753575  0.202716  0.333434  1
  Ni  Ni11  1  0.753575  0.989197  0.312021  1
  Ni  Ni12  1  0.753575  0.595149  0.321957  1
  Ni  Ni13  1  0.253575  0.148722  0.362004  1
  Ni  Ni14  1  0.253575  0.936791  0.340982  1
  Ni  Ni15  1  0.253575  0.543770  0.351154  1
  Ni  Ni16  1  0.753575  0.016762  0.365476  1
  Ni  Ni17  1  0.753575  0.805515  0.344367  1
  Ni  Ni18  1  0.753575  0.411712  0.354457  1
  Ni  Ni19  1  0.253575  0.964804  0.394423  1
  Ni  Ni20  1  0.253575  0.753581  0.372641  1
  Ni  Ni21  1  0.253575  0.359952  0.383579  1
  Ni  Ni22  1  0.753575  0.832085  0.397963  1
  Ni  Ni23  1  0.753575  0.621182  0.376114  1
  Ni  Ni24  1  0.753575  0.227306  0.387173  1
  Ni  Ni25  1  0.253575  0.780843  0.426637  1
  Ni  Ni26  1  0.253575  0.570390  0.405060  1
  Ni  Ni27  1  0.253575  0.175681  0.415870  1
  Ni  Ni28  1  0.753575  0.647958  0.430230  1
  Ni  Ni29  1  0.753575  0.437588  0.408640  1
  Ni  Ni30  1  0.753575  0.042820  0.419493  1
  Ni  Ni31  1  0.253575  0.596867  0.458992  1
  Ni  Ni32  1  0.253575  0.386319  0.437432  1
  Ni  Ni33  1  0.253575  0.991541  0.448244  1
  Ni  Ni34  1  0.753575  0.463941  0.462639  1
  Ni  Ni35  1  0.753575  0.253415  0.441092  1
  Ni  Ni36  1  0.753575  0.858588  0.451876  1
  Ni  Ni37  1  0.253575  0.412751  0.491352  1
  Ni  Ni38  1  0.253575  0.202159  0.469784  1
  Ni  Ni39  1  0.253575  0.807407  0.480575  1
  Ni  Ni40  1  0.753575  0.279793  0.495018  1
  Ni  Ni41  1  0.753575  0.069200  0.473449  1
  Ni  Ni42  1  0.753575  0.674459  0.484221  1
  Ni  Ni43  1  0.253575  0.228581  0.523717  1
  Ni  Ni44  1  0.253575  0.017988  0.502148  1
  Ni  Ni45  1  0.253575  0.623322  0.512945  1
  Ni  Ni46  1  0.753575  0.095622  0.527382  1
  Ni  Ni47  1  0.753575  0.885030  0.505814  1
  Ni  Ni48  1  0.753575  0.490375  0.516591  1
  Ni  Ni49  1  0.253575  0.044366  0.556074  1
  Ni  Ni50  1  0.253575  0.833840  0.534527  1
  Ni  Ni51  1  0.253575  0.439194  0.545290  1
  Ni  Ni52  1  0.753575  0.911462  0.559735  1
  Ni  Ni53  1  0.753575  0.700914  0.538174  1
  Ni  Ni54  1  0.753575  0.306240  0.548923  1
  Ni  Ni55  1  0.253575  0.860194  0.588526  1
  Ni  Ni56  1  0.253575  0.649823  0.566936  1
  Ni  Ni57  1  0.253575  0.254961  0.577673  1
  Ni  Ni58  1  0.753575  0.727391  0.592106  1
  Ni  Ni59  1  0.753575  0.516938  0.570530  1
  Ni  Ni60  1  0.753575  0.122100  0.581297  1
  Ni  Ni61  1  0.253575  0.676599  0.621053  1
  Ni  Ni62  1  0.253575  0.465697  0.599203  1
  Ni  Ni63  1  0.253575  0.070475  0.609994  1
  Ni  Ni64  1  0.753575  0.544200  0.624525  1
  Ni  Ni65  1  0.753575  0.332977  0.602743  1
  Ni  Ni66  1  0.753575  0.937829  0.613588  1
  Ni  Ni67  1  0.253575  0.492267  0.652799  1
  Ni  Ni68  1  0.253575  0.281019  0.631690  1
  Ni  Ni69  1  0.253575  0.886069  0.642709  1
  Ni  Ni70  1  0.753575  0.360991  0.656184  1
  Ni  Ni71  1  0.753575  0.149059  0.635162  1
  Ni  Ni72  1  0.753575  0.754011  0.646012  1
  Ni  Ni73  1  0.253575  0.308584  0.685145  1
  Ni  Ni74  1  0.253575  0.095065  0.663732  1
  Ni  Ni75  1  0.253575  0.702633  0.675209  1
  Ni  Ni76  1  0.753575  0.177877  0.688322  1
  Ni  Ni77  1  0.753575  0.964522  0.666923  1
  Ni  Ni78  1  0.753575  0.570304  0.678533  1
  Ni  Ni79  1  0.253575  0.126191  0.715752  1
  Ni  Ni80  1  0.253575  0.910648  0.696887  1
  Ni  Ni81  1  0.253575  0.516963  0.705498  1
  Ni  Ni82  1  0.753575  0.997367  0.718353  1
  Ni  Ni83  1  0.753575  0.780361  0.699275  1
  Ni  Ni84  1  0.753575  0.385020  0.708991  1
