# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46706917
_cell_length_b   8.58338834
_cell_length_c   48.08779914
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.69743482
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1007.62577596
_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  0.275240  0.955034  0.283890  1
  Ni  Ni2  1  0.039658  0.428729  0.304759  1
  Ni  Ni3  1  0.410036  0.686947  0.300657  1
  Ni  Ni4  1  0.177723  0.151442  0.320808  1
  Ni  Ni5  1  0.805935  0.894658  0.326899  1
  Ni  Ni6  1  0.572754  0.362093  0.347865  1
  Ni  Ni7  1  0.944736  0.617669  0.343633  1
  Ni  Ni8  1  0.709728  0.087638  0.364815  1
  Ni  Ni9  1  0.338689  0.829675  0.369831  1
  Ni  Ni10  1  0.104682  0.298128  0.391283  1
  Ni  Ni11  1  0.476672  0.553915  0.387339  1
  Ni  Ni12  1  0.242256  0.022746  0.408755  1
  Ni  Ni13  1  0.870571  0.766189  0.413220  1
  Ni  Ni14  1  0.636547  0.234438  0.434783  1
  Ni  Ni15  1  0.008622  0.490130  0.430901  1
  Ni  Ni16  1  0.774369  0.958674  0.452462  1
  Ni  Ni17  1  0.402525  0.702469  0.456677  1
  Ni  Ni18  1  0.168443  0.170743  0.478303  1
  Ni  Ni19  1  0.540545  0.426405  0.474427  1
  Ni  Ni20  1  0.306398  0.894768  0.496051  1
  Ni  Ni21  1  0.934508  0.638661  0.500200  1
  Ni  Ni22  1  0.700361  0.107024  0.521824  1
  Ni  Ni23  1  0.072463  0.362686  0.517949  1
  Ni  Ni24  1  0.838381  0.830960  0.539575  1
  Ni  Ni25  1  0.466537  0.574755  0.543790  1
  Ni  Ni26  1  0.232284  0.043299  0.565351  1
  Ni  Ni27  1  0.604359  0.298991  0.561469  1
  Ni  Ni28  1  0.370336  0.767240  0.583031  1
  Ni  Ni29  1  0.998650  0.510683  0.587497  1
  Ni  Ni30  1  0.764234  0.979514  0.608912  1
  Ni  Ni31  1  0.136224  0.235301  0.604969  1
  Ni  Ni32  1  0.902217  0.703754  0.626421  1
  Ni  Ni33  1  0.531178  0.445791  0.631436  1
  Ni  Ni34  1  0.296170  0.915760  0.652619  1
  Ni  Ni35  1  0.668152  0.171336  0.648387  1
  Ni  Ni36  1  0.434971  0.638771  0.669353  1
  Ni  Ni37  1  0.063183  0.381987  0.675443  1
  Ni  Ni38  1  0.830870  0.846482  0.695595  1
  Ni  Ni39  1  0.201248  0.104700  0.691493  1
  Ni  Ni40  1  0.965666  0.578395  0.712362  1
