# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27431947
_cell_length_b   8.53396780
_cell_length_c   46.79519682
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.48636314
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1652.47197787
_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  0.011434  0.135423  0.284650  1
  Ni  Ni2  1  0.772138  0.620695  0.296873  1
  Ni  Ni3  1  0.469446  0.891406  0.278912  1
  Ni  Ni4  1  0.236777  0.377197  0.290817  1
  Ni  Ni5  1  0.529407  0.111434  0.310875  1
  Ni  Ni6  1  0.284829  0.600312  0.323327  1
  Ni  Ni7  1  0.984013  0.865089  0.304045  1
  Ni  Ni8  1  0.742154  0.355947  0.317200  1
  Ni  Ni9  1  0.041593  0.088177  0.337123  1
  Ni  Ni10  1  0.796463  0.577859  0.349996  1
  Ni  Ni11  1  0.495491  0.843498  0.330841  1
  Ni  Ni12  1  0.252483  0.333425  0.343637  1
  Ni  Ni13  1  0.551513  0.066778  0.363310  1
  Ni  Ni14  1  0.307074  0.555859  0.376192  1
  Ni  Ni15  1  0.007429  0.822152  0.356748  1
  Ni  Ni16  1  0.764540  0.311201  0.369757  1
  Ni  Ni17  1  0.062390  0.044502  0.389641  1
  Ni  Ni18  1  0.818030  0.533370  0.402656  1
  Ni  Ni19  1  0.519798  0.799930  0.383134  1
  Ni  Ni20  1  0.276107  0.289110  0.396162  1
  Ni  Ni21  1  0.573475  0.022349  0.415950  1
  Ni  Ni22  1  0.329063  0.511335  0.428991  1
  Ni  Ni23  1  0.031486  0.777709  0.409364  1
  Ni  Ni24  1  0.787370  0.266844  0.422467  1
  Ni  Ni25  1  0.084599  1.000132  0.442266  1
  Ni  Ni26  1  0.840184  0.489106  0.455358  1
  Ni  Ni27  1  0.542863  0.755625  0.435705  1
  Ni  Ni28  1  0.298528  0.244691  0.448809  1
  Ni  Ni29  1  0.595711  0.977994  0.468595  1
  Ni  Ni30  1  0.351297  0.466967  0.481699  1
  Ni  Ni31  1  0.054065  0.733482  0.462017  1
  Ni  Ni32  1  0.809681  0.222489  0.475137  1
  Ni  Ni33  1  0.106846  0.955808  0.494919  1
  Ni  Ni34  1  0.862422  0.444801  0.508037  1
  Ni  Ni35  1  0.565222  0.711341  0.488352  1
  Ni  Ni36  1  0.320798  0.200334  0.501470  1
  Ni  Ni37  1  0.617963  0.933654  0.521252  1
  Ni  Ni38  1  0.373580  0.422661  0.534372  1
  Ni  Ni39  1  0.076347  0.689175  0.514690  1
  Ni  Ni40  1  0.831933  0.178148  0.527794  1
  Ni  Ni41  1  0.129116  0.911452  0.547580  1
  Ni  Ni42  1  0.884781  0.400518  0.560684  1
  Ni  Ni43  1  0.587461  0.667036  0.541031  1
  Ni  Ni44  1  0.343045  0.156011  0.554123  1
  Ni  Ni45  1  0.640274  0.889298  0.573922  1
  Ni  Ni46  1  0.396159  0.378433  0.587025  1
  Ni  Ni47  1  0.098582  0.644807  0.567398  1
  Ni  Ni48  1  0.854170  0.133794  0.580439  1
  Ni  Ni49  1  0.151537  0.867032  0.600227  1
  Ni  Ni50  1  0.907846  0.356212  0.613255  1
  Ni  Ni51  1  0.609614  0.622773  0.593733  1
  Ni  Ni52  1  0.365255  0.111640  0.606748  1
  Ni  Ni53  1  0.663104  0.844941  0.626632  1
  Ni  Ni54  1  0.420215  0.333990  0.639641  1
  Ni  Ni55  1  0.120570  0.600283  0.620197  1
  Ni  Ni56  1  0.876131  0.089365  0.633079  1
  Ni  Ni57  1  0.175162  0.822718  0.652752  1
  Ni  Ni58  1  0.932154  0.312645  0.665548  1
  Ni  Ni59  1  0.631181  0.578284  0.646393  1
  Ni  Ni60  1  0.386052  0.067966  0.659266  1
  Ni  Ni61  1  0.685490  0.800195  0.679189  1
  Ni  Ni62  1  0.443631  0.291054  0.692344  1
  Ni  Ni63  1  0.142815  0.555831  0.673062  1
  Ni  Ni64  1  0.898238  0.044709  0.685514  1
  Ni  Ni65  1  0.190867  0.778946  0.705572  1
  Ni  Ni66  1  0.958198  0.264737  0.717477  1
  Ni  Ni67  1  0.655506  0.535448  0.699516  1
  Ni  Ni68  1  0.416211  0.020720  0.711739  1
