# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85803370
_cell_length_b   7.85283597
_cell_length_c   45.91424077
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni112
_cell_volume   2776.02541002
_cell_formula_units_Z   112
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  0.647205  0.648039  0.320481  1
  Ni  Ni2  1  0.147205  0.148039  0.320481  1
  Ni  Ni3  1  0.234719  0.735800  0.290334  1
  Ni  Ni4  1  0.734719  0.235800  0.290334  1
  Ni  Ni5  1  0.984719  0.985800  0.290334  1
  Ni  Ni6  1  0.484719  0.485800  0.290334  1
  Ni  Ni7  1  0.397205  0.898039  0.320481  1
  Ni  Ni8  1  0.897205  0.398039  0.320481  1
  Ni  Ni9  1  0.691743  0.942679  0.305260  1
  Ni  Ni10  1  0.191743  0.442679  0.305260  1
  Ni  Ni11  1  0.104695  0.855573  0.336649  1
  Ni  Ni12  1  0.604695  0.355573  0.336649  1
  Ni  Ni13  1  0.941743  0.692679  0.305260  1
  Ni  Ni14  1  0.441743  0.192679  0.305260  1
  Ni  Ni15  1  0.354695  0.605573  0.336649  1
  Ni  Ni16  1  0.854695  0.105573  0.336649  1
  Ni  Ni17  1  0.480040  0.480805  0.383270  1
  Ni  Ni18  1  0.980040  0.980805  0.383270  1
  Ni  Ni19  1  0.063103  0.563937  0.351654  1
  Ni  Ni20  1  0.563103  0.063937  0.351654  1
  Ni  Ni21  1  0.813103  0.813937  0.351654  1
  Ni  Ni22  1  0.313103  0.313937  0.351654  1
  Ni  Ni23  1  0.230040  0.730805  0.383270  1
  Ni  Ni24  1  0.730040  0.230805  0.383270  1
  Ni  Ni25  1  0.521752  0.772534  0.367197  1
  Ni  Ni26  1  0.021752  0.272534  0.367197  1
  Ni  Ni27  1  0.938210  0.688940  0.398651  1
  Ni  Ni28  1  0.438210  0.188940  0.398651  1
  Ni  Ni29  1  0.771752  0.522534  0.367197  1
  Ni  Ni30  1  0.271752  0.022534  0.367197  1
  Ni  Ni31  1  0.188210  0.438940  0.398651  1
  Ni  Ni32  1  0.688210  0.938940  0.398651  1
  Ni  Ni33  1  0.313040  0.313667  0.445667  1
  Ni  Ni34  1  0.813040  0.813667  0.445667  1
  Ni  Ni35  1  0.896559  0.397250  0.414320  1
  Ni  Ni36  1  0.396559  0.897250  0.414320  1
  Ni  Ni37  1  0.646559  0.647250  0.414320  1
  Ni  Ni38  1  0.146559  0.147250  0.414320  1
  Ni  Ni39  1  0.063040  0.563667  0.445667  1
  Ni  Ni40  1  0.563040  0.063667  0.445667  1
  Ni  Ni41  1  0.354781  0.605442  0.430124  1
  Ni  Ni42  1  0.854781  0.105442  0.430124  1
  Ni  Ni43  1  0.771358  0.521950  0.461347  1
  Ni  Ni44  1  0.271358  0.021950  0.461347  1
  Ni  Ni45  1  0.604781  0.355442  0.430124  1
  Ni  Ni46  1  0.104781  0.855442  0.430124  1
  Ni  Ni47  1  0.021358  0.271950  0.461347  1
  Ni  Ni48  1  0.521358  0.771950  0.461347  1
  Ni  Ni49  1  0.146197  0.146689  0.508345  1
  Ni  Ni50  1  0.646197  0.646689  0.508345  1
  Ni  Ni51  1  0.729622  0.230181  0.477037  1
  Ni  Ni52  1  0.229622  0.730181  0.477037  1
  Ni  Ni53  1  0.479622  0.480181  0.477037  1
  Ni  Ni54  1  0.979622  0.980181  0.477037  1
  Ni  Ni55  1  0.896197  0.396689  0.508345  1
  Ni  Ni56  1  0.396197  0.896689  0.508345  1
  Ni  Ni57  1  0.187892  0.438418  0.492663  1
  Ni  Ni58  1  0.687892  0.938418  0.492663  1
  Ni  Ni59  1  0.604467  0.354925  0.523971  1
  Ni  Ni60  1  0.104467  0.854925  0.523971  1
  Ni  Ni61  1  0.437892  0.188418  0.492663  1
  Ni  Ni62  1  0.937892  0.688418  0.492663  1
  Ni  Ni63  1  0.854467  0.104925  0.523971  1
  Ni  Ni64  1  0.354467  0.604925  0.523971  1
  Ni  Ni65  1  0.979308  0.979664  0.570885  1
  Ni  Ni66  1  0.479308  0.479664  0.570885  1
  Ni  Ni67  1  0.562731  0.063156  0.539661  1
  Ni  Ni68  1  0.062731  0.563156  0.539661  1
  Ni  Ni69  1  0.312731  0.313156  0.539661  1
  Ni  Ni70  1  0.812731  0.813156  0.539661  1
  Ni  Ni71  1  0.729308  0.229664  0.570885  1
  Ni  Ni72  1  0.229308  0.729664  0.570885  1
  Ni  Ni73  1  0.021050  0.271440  0.555342  1
  Ni  Ni74  1  0.521050  0.771440  0.555342  1
  Ni  Ni75  1  0.437530  0.187856  0.586689  1
  Ni  Ni76  1  0.937530  0.687856  0.586689  1
  Ni  Ni77  1  0.271050  0.021440  0.555342  1
  Ni  Ni78  1  0.771050  0.521440  0.555342  1
  Ni  Ni79  1  0.687530  0.937856  0.586689  1
  Ni  Ni80  1  0.187530  0.437856  0.586689  1
  Ni  Ni81  1  0.812337  0.812573  0.633811  1
  Ni  Ni82  1  0.312337  0.312573  0.633811  1
  Ni  Ni83  1  0.395879  0.896166  0.602358  1
  Ni  Ni84  1  0.895879  0.396166  0.602358  1
  Ni  Ni85  1  0.145879  0.146166  0.602358  1
  Ni  Ni86  1  0.645879  0.646166  0.602358  1
  Ni  Ni87  1  0.562337  0.062573  0.633811  1
  Ni  Ni88  1  0.062337  0.562573  0.633811  1
  Ni  Ni89  1  0.854049  0.104301  0.617738  1
  Ni  Ni90  1  0.354049  0.604301  0.617738  1
  Ni  Ni91  1  0.270986  0.021169  0.649354  1
  Ni  Ni92  1  0.770986  0.521169  0.649354  1
  Ni  Ni93  1  0.104049  0.854301  0.617738  1
  Ni  Ni94  1  0.604049  0.354301  0.617738  1
  Ni  Ni95  1  0.520986  0.771169  0.649354  1
  Ni  Ni96  1  0.020986  0.271169  0.649354  1
  Ni  Ni97  1  0.642346  0.642428  0.695748  1
  Ni  Ni98  1  0.142346  0.142428  0.695748  1
  Ni  Ni99  1  0.229394  0.729533  0.664360  1
  Ni  Ni100  1  0.729394  0.229533  0.664360  1
  Ni  Ni101  1  0.979394  0.979533  0.664360  1
  Ni  Ni102  1  0.479394  0.479533  0.664360  1
  Ni  Ni103  1  0.392346  0.892428  0.695748  1
  Ni  Ni104  1  0.892346  0.392428  0.695748  1
  Ni  Ni105  1  0.686884  0.937067  0.680528  1
  Ni  Ni106  1  0.186884  0.437067  0.680528  1
  Ni  Ni107  1  0.099370  0.849307  0.710675  1
  Ni  Ni108  1  0.599370  0.349307  0.710675  1
  Ni  Ni109  1  0.936884  0.687067  0.680528  1
  Ni  Ni110  1  0.436884  0.187067  0.680528  1
  Ni  Ni111  1  0.349370  0.599307  0.710675  1
  Ni  Ni112  1  0.849370  0.099307  0.710675  1
