# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.85390166
_cell_length_b   10.84414094
_cell_length_c   47.54892623
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni108
_cell_volume   2439.43158821
_cell_formula_units_Z   108
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  0.347999  0.190094  0.300593  1
  Ni  Ni2  1  0.505257  0.504658  0.315646  1
  Ni  Ni3  1  0.187626  0.869389  0.286072  1
  Ni  Ni4  1  0.505257  0.004658  0.315646  1
  Ni  Ni5  1  0.187626  0.369389  0.286072  1
  Ni  Ni6  1  0.347999  0.690094  0.300593  1
  Ni  Ni7  1  0.005257  0.004658  0.315646  1
  Ni  Ni8  1  0.687626  0.369389  0.286072  1
  Ni  Ni9  1  0.847999  0.690094  0.300593  1
  Ni  Ni10  1  0.847999  0.190094  0.300593  1
  Ni  Ni11  1  0.005257  0.504658  0.315646  1
  Ni  Ni12  1  0.687626  0.869389  0.286072  1
  Ni  Ni13  1  0.820445  0.135031  0.348530  1
  Ni  Ni14  1  0.978532  0.451198  0.365366  1
  Ni  Ni15  1  0.662756  0.819657  0.332335  1
  Ni  Ni16  1  0.978532  0.951198  0.365366  1
  Ni  Ni17  1  0.662756  0.319657  0.332335  1
  Ni  Ni18  1  0.820445  0.635031  0.348530  1
  Ni  Ni19  1  0.478532  0.951198  0.365366  1
  Ni  Ni20  1  0.162756  0.319657  0.332335  1
  Ni  Ni21  1  0.320445  0.635031  0.348530  1
  Ni  Ni22  1  0.320445  0.135031  0.348530  1
  Ni  Ni23  1  0.478532  0.451198  0.365366  1
  Ni  Ni24  1  0.162756  0.819657  0.332335  1
  Ni  Ni25  1  0.293994  0.082114  0.399074  1
  Ni  Ni26  1  0.451985  0.398093  0.415860  1
  Ni  Ni27  1  0.136124  0.766377  0.382357  1
  Ni  Ni28  1  0.451985  0.898093  0.415860  1
  Ni  Ni29  1  0.136124  0.266377  0.382357  1
  Ni  Ni30  1  0.293994  0.582114  0.399074  1
  Ni  Ni31  1  0.951985  0.898093  0.415860  1
  Ni  Ni32  1  0.636124  0.266377  0.382357  1
  Ni  Ni33  1  0.793994  0.582114  0.399074  1
  Ni  Ni34  1  0.793994  0.082114  0.399074  1
  Ni  Ni35  1  0.951985  0.398093  0.415860  1
  Ni  Ni36  1  0.636124  0.766377  0.382357  1
  Ni  Ni37  1  0.767768  0.029652  0.449402  1
  Ni  Ni38  1  0.925683  0.345479  0.466176  1
  Ni  Ni39  1  0.609852  0.713823  0.432648  1
  Ni  Ni40  1  0.925683  0.845479  0.466176  1
  Ni  Ni41  1  0.609852  0.213823  0.432648  1
  Ni  Ni42  1  0.767768  0.529652  0.449402  1
  Ni  Ni43  1  0.425683  0.845479  0.466176  1
  Ni  Ni44  1  0.109852  0.213823  0.432648  1
  Ni  Ni45  1  0.267768  0.529652  0.449402  1
  Ni  Ni46  1  0.267768  0.029652  0.449402  1
  Ni  Ni47  1  0.425683  0.345479  0.466176  1
  Ni  Ni48  1  0.109852  0.713823  0.432648  1
  Ni  Ni49  1  0.241483  0.977074  0.499727  1
  Ni  Ni50  1  0.399390  0.292884  0.516498  1
  Ni  Ni51  1  0.083576  0.661263  0.482956  1
  Ni  Ni52  1  0.399390  0.792884  0.516498  1
  Ni  Ni53  1  0.083576  0.161263  0.482956  1
  Ni  Ni54  1  0.241483  0.477074  0.499727  1
  Ni  Ni55  1  0.899390  0.792884  0.516498  1
  Ni  Ni56  1  0.583576  0.161263  0.482956  1
  Ni  Ni57  1  0.741483  0.477074  0.499727  1
  Ni  Ni58  1  0.741483  0.977074  0.499727  1
  Ni  Ni59  1  0.899390  0.292884  0.516498  1
  Ni  Ni60  1  0.583576  0.661263  0.482956  1
  Ni  Ni61  1  0.715199  0.924495  0.550052  1
  Ni  Ni62  1  0.873115  0.240324  0.566806  1
  Ni  Ni63  1  0.557284  0.608668  0.533278  1
  Ni  Ni64  1  0.873115  0.740324  0.566806  1
  Ni  Ni65  1  0.557284  0.108668  0.533278  1
  Ni  Ni66  1  0.715199  0.424495  0.550052  1
  Ni  Ni67  1  0.373115  0.740324  0.566806  1
  Ni  Ni68  1  0.057284  0.108668  0.533278  1
  Ni  Ni69  1  0.215199  0.424495  0.550052  1
  Ni  Ni70  1  0.215199  0.924495  0.550052  1
  Ni  Ni71  1  0.373115  0.240324  0.566806  1
  Ni  Ni72  1  0.057284  0.608668  0.533278  1
  Ni  Ni73  1  0.188973  0.872034  0.600380  1
  Ni  Ni74  1  0.346843  0.187770  0.617097  1
  Ni  Ni75  1  0.030982  0.556054  0.583594  1
  Ni  Ni76  1  0.346843  0.687770  0.617097  1
  Ni  Ni77  1  0.030982  0.056054  0.583594  1
  Ni  Ni78  1  0.188973  0.372034  0.600380  1
  Ni  Ni79  1  0.846843  0.687770  0.617097  1
  Ni  Ni80  1  0.530982  0.056054  0.583594  1
  Ni  Ni81  1  0.688973  0.372034  0.600380  1
  Ni  Ni82  1  0.688973  0.872034  0.600380  1
  Ni  Ni83  1  0.846843  0.187770  0.617097  1
  Ni  Ni84  1  0.530982  0.556054  0.583594  1
  Ni  Ni85  1  0.662522  0.819116  0.650924  1
  Ni  Ni86  1  0.820211  0.134490  0.667120  1
  Ni  Ni87  1  0.504435  0.502949  0.634089  1
  Ni  Ni88  1  0.820211  0.634490  0.667120  1
  Ni  Ni89  1  0.504435  1.002949  0.634089  1
  Ni  Ni90  1  0.662522  0.319116  0.650924  1
  Ni  Ni91  1  0.320211  0.634490  0.667120  1
  Ni  Ni92  1  1.004435  1.002949  0.634089  1
  Ni  Ni93  1  0.162522  0.319116  0.650924  1
  Ni  Ni94  1  0.162522  0.819116  0.650924  1
  Ni  Ni95  1  0.320211  0.134490  0.667120  1
  Ni  Ni96  1  1.004435  0.502949  0.634089  1
  Ni  Ni97  1  0.134968  0.764053  0.698861  1
  Ni  Ni98  1  0.295341  0.084758  0.713382  1
  Ni  Ni99  1  0.977709  0.449489  0.683808  1
  Ni  Ni100  1  0.295341  0.584758  0.713382  1
  Ni  Ni101  1  0.977709  0.949489  0.683808  1
  Ni  Ni102  1  0.134968  0.264053  0.698861  1
  Ni  Ni103  1  0.795341  0.584758  0.713382  1
  Ni  Ni104  1  0.477709  0.949489  0.683808  1
  Ni  Ni105  1  0.634968  0.264053  0.698861  1
  Ni  Ni106  1  0.634968  0.764053  0.698861  1
  Ni  Ni107  1  0.795341  0.084758  0.713382  1
  Ni  Ni108  1  0.477709  0.449489  0.683808  1
