# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46576639
_cell_length_b   8.54867450
_cell_length_c   48.05270677
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.32170052
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1002.23982249
_cell_formula_units_Z   40
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  0.231168  0.953347  0.284645  1
  Ni  Ni2  1  0.466465  0.425136  0.304754  1
  Ni  Ni3  1  0.094654  0.680886  0.300578  1
  Ni  Ni4  1  0.328874  0.149357  0.321293  1
  Ni  Ni5  1  0.699735  0.890905  0.326900  1
  Ni  Ni6  1  0.934177  0.360367  0.347854  1
  Ni  Ni7  1  0.561804  0.615300  0.343939  1
  Ni  Ni8  1  0.796516  0.084762  0.365290  1
  Ni  Ni9  1  0.167932  0.827585  0.369919  1
  Ni  Ni10  1  0.402027  0.296024  0.391321  1
  Ni  Ni11  1  0.029909  0.551585  0.387524  1
  Ni  Ni12  1  0.264203  0.020203  0.409085  1
  Ni  Ni13  1  0.636024  0.763910  0.413320  1
  Ni  Ni14  1  0.870084  0.232146  0.434898  1
  Ni  Ni15  1  0.497923  0.487666  0.431085  1
  Ni  Ni16  1  0.732108  0.956075  0.452745  1
  Ni  Ni17  1  0.104039  0.700029  0.456808  1
  Ni  Ni18  1  0.338121  0.168259  0.478471  1
  Ni  Ni19  1  0.965970  0.423812  0.474647  1
  Ni  Ni20  1  0.200076  0.892073  0.496333  1
  Ni  Ni21  1  0.572048  0.636115  0.500351  1
  Ni  Ni22  1  0.806154  0.104376  0.522037  1
  Ni  Ni23  1  0.434003  0.359928  0.518212  1
  Ni  Ni24  1  0.668085  0.828158  0.539876  1
  Ni  Ni25  1  0.040016  0.572113  0.543939  1
  Ni  Ni26  1  0.274200  0.040521  0.565598  1
  Ni  Ni27  1  0.902040  0.296041  0.561785  1
  Ni  Ni28  1  0.136100  0.764278  0.583364  1
  Ni  Ni29  1  0.507921  0.507984  0.587599  1
  Ni  Ni30  1  0.742215  0.976603  0.609160  1
  Ni  Ni31  1  0.370097  0.232164  0.605362  1
  Ni  Ni32  1  0.604191  0.700602  0.626765  1
  Ni  Ni33  1  0.975607  0.443426  0.631394  1
  Ni  Ni34  1  0.210320  0.912888  0.652745  1
  Ni  Ni35  1  0.837946  0.167821  0.648830  1
  Ni  Ni36  1  0.072389  0.637283  0.669784  1
  Ni  Ni37  1  0.443250  0.378831  0.675391  1
  Ni  Ni38  1  0.677469  0.847302  0.696106  1
  Ni  Ni39  1  0.305659  0.103051  0.691930  1
  Ni  Ni40  1  0.540956  0.574840  0.712039  1
