# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27943616
_cell_length_b   8.48909117
_cell_length_c   46.91582501
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.60842159
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1649.28356689
_cell_formula_units_Z   68
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  0.142741  0.134485  0.283233  1
  Ni  Ni2  1  0.389966  0.615826  0.295665  1
  Ni  Ni3  1  0.359351  0.888010  0.277516  1
  Ni  Ni4  1  0.621666  0.375400  0.289246  1
  Ni  Ni5  1  0.638014  0.108297  0.310289  1
  Ni  Ni6  1  0.883885  0.596447  0.322822  1
  Ni  Ni7  1  0.847436  0.861245  0.303382  1
  Ni  Ni8  1  0.099310  0.352404  0.316772  1
  Ni  Ni9  1  0.127519  0.084902  0.336525  1
  Ni  Ni10  1  0.373383  0.574483  0.349433  1
  Ni  Ni11  1  0.337552  0.840234  0.330150  1
  Ni  Ni12  1  0.585688  0.329994  0.343035  1
  Ni  Ni13  1  0.616499  0.063110  0.362665  1
  Ni  Ni14  1  0.861657  0.551929  0.375608  1
  Ni  Ni15  1  0.827813  0.818678  0.356122  1
  Ni  Ni16  1  0.074423  0.307479  0.369174  1
  Ni  Ni17  1  0.105143  0.040476  0.388979  1
  Ni  Ni18  1  0.349904  0.529128  0.402014  1
  Ni  Ni19  1  0.317539  0.796027  0.382442  1
  Ni  Ni20  1  0.563206  0.284922  0.395504  1
  Ni  Ni21  1  0.593924  0.017876  0.415245  1
  Ni  Ni22  1  0.838557  0.506613  0.428319  1
  Ni  Ni23  1  0.806742  0.773372  0.408664  1
  Ni  Ni24  1  0.051791  0.262273  0.421787  1
  Ni  Ni25  1  0.082640  0.995255  0.441536  1
  Ni  Ni26  1  0.327193  0.483997  0.454642  1
  Ni  Ni27  1  0.295757  0.750868  0.434967  1
  Ni  Ni28  1  0.540454  0.239673  0.448088  1
  Ni  Ni29  1  0.571392  0.972685  0.467828  1
  Ni  Ni30  1  0.815891  0.461420  0.480947  1
  Ni  Ni31  1  0.784574  0.728295  0.461253  1
  Ni  Ni32  1  0.029131  0.217066  0.474384  1
  Ni  Ni33  1  0.060107  0.950086  0.494122  1
  Ni  Ni34  1  0.304605  0.438836  0.507249  1
  Ni  Ni35  1  0.273337  0.705727  0.487553  1
  Ni  Ni36  1  0.517835  0.194478  0.500681  1
  Ni  Ni37  1  0.548811  0.927498  0.520419  1
  Ni  Ni38  1  0.793367  0.416268  0.533549  1
  Ni  Ni39  1  0.762051  0.683143  0.513856  1
  Ni  Ni40  1  0.006550  0.171879  0.526975  1
  Ni  Ni41  1  0.037488  0.904890  0.546715  1
  Ni  Ni42  1  0.282184  0.393696  0.559835  1
  Ni  Ni43  1  0.250749  0.660567  0.540160  1
  Ni  Ni44  1  0.495302  0.149308  0.553267  1
  Ni  Ni45  1  0.526150  0.882291  0.573016  1
  Ni  Ni46  1  0.771200  0.371191  0.586138  1
  Ni  Ni47  1  0.739385  0.637950  0.566484  1
  Ni  Ni48  1  0.984017  0.126688  0.579558  1
  Ni  Ni49  1  0.014735  0.859641  0.599299  1
  Ni  Ni50  1  0.260402  0.348536  0.612361  1
  Ni  Ni51  1  0.228037  0.615436  0.592789  1
  Ni  Ni52  1  0.472799  0.104088  0.605824  1
  Ni  Ni53  1  0.503518  0.837084  0.625629  1
  Ni  Ni54  1  0.750128  0.325885  0.638680  1
  Ni  Ni55  1  0.716285  0.592635  0.619195  1
  Ni  Ni56  1  0.961442  0.081453  0.632138  1
  Ni  Ni57  1  0.992254  0.814569  0.651768  1
  Ni  Ni58  1  0.240389  0.304329  0.664653  1
  Ni  Ni59  1  0.204558  0.570080  0.645370  1
  Ni  Ni60  1  0.450422  0.059661  0.658278  1
  Ni  Ni61  1  0.478632  0.792159  0.678030  1
  Ni  Ni62  1  0.730506  0.283319  0.691421  1
  Ni  Ni63  1  0.694056  0.548117  0.671981  1
  Ni  Ni64  1  0.939928  0.036267  0.684514  1
  Ni  Ni65  1  0.956276  0.769164  0.705557  1
  Ni  Ni66  1  0.218591  0.256553  0.717287  1
  Ni  Ni67  1  0.187975  0.528738  0.699138  1
  Ni  Ni68  1  0.435201  0.010079  0.711570  1
