# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97105022
_cell_length_b   11.08182303
_cell_length_c   48.65819114
_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   2612.62527486
_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  0.728806  0.038375  0.285670  1
  Ni  Ni2  1  0.882392  0.345580  0.301068  1
  Ni  Ni3  1  0.571423  0.723516  0.269976  1
  Ni  Ni4  1  0.042903  0.165925  0.319448  1
  Ni  Ni5  1  0.730492  0.537083  0.285515  1
  Ni  Ni6  1  0.888663  0.851257  0.302447  1
  Ni  Ni7  1  0.542227  0.165932  0.319448  1
  Ni  Ni8  1  0.225916  0.537135  0.285504  1
  Ni  Ni9  1  0.381826  0.851254  0.302459  1
  Ni  Ni10  1  0.228585  0.037916  0.285616  1
  Ni  Ni11  1  0.383149  0.347116  0.300961  1
  Ni  Ni12  1  0.542657  0.666120  0.319634  1
  Ni  Ni13  1  0.200561  0.981969  0.336319  1
  Ni  Ni14  1  0.358612  0.298088  0.352407  1
  Ni  Ni15  1  0.042931  0.666667  0.319017  1
  Ni  Ni16  1  0.516648  0.113679  0.369195  1
  Ni  Ni17  1  0.199833  0.480460  0.335388  1
  Ni  Ni18  1  0.358332  0.797559  0.352593  1
  Ni  Ni19  1  0.016114  0.113678  0.369197  1
  Ni  Ni20  1  0.699720  0.480449  0.335393  1
  Ni  Ni21  1  0.858360  0.797558  0.352588  1
  Ni  Ni22  1  0.700132  0.981108  0.336032  1
  Ni  Ni23  1  0.858624  0.298096  0.352415  1
  Ni  Ni24  1  0.015812  0.612567  0.368814  1
  Ni  Ni25  1  0.674018  0.928996  0.385875  1
  Ni  Ni26  1  0.831885  0.244768  0.402465  1
  Ni  Ni27  1  0.515754  0.612452  0.369030  1
  Ni  Ni28  1  0.989635  0.060370  0.419151  1
  Ni  Ni29  1  0.674013  0.428857  0.385699  1
  Ni  Ni30  1  0.831636  0.744160  0.402380  1
  Ni  Ni31  1  0.489692  0.060370  0.419150  1
  Ni  Ni32  1  0.173892  0.428860  0.385698  1
  Ni  Ni33  1  0.331507  0.744159  0.402381  1
  Ni  Ni34  1  0.174002  0.928973  0.385937  1
  Ni  Ni35  1  0.331872  0.244742  0.402453  1
  Ni  Ni36  1  0.489497  0.560037  0.419061  1
  Ni  Ni37  1  0.147320  0.875734  0.435759  1
  Ni  Ni38  1  0.305243  0.191609  0.452442  1
  Ni  Ni39  1  0.989515  0.560073  0.419016  1
  Ni  Ni40  1  0.462995  0.007144  0.469079  1
  Ni  Ni41  1  0.147419  0.375931  0.435758  1
  Ni  Ni42  1  0.305133  0.691420  0.452389  1
  Ni  Ni43  1  0.962980  0.007144  0.469080  1
  Ni  Ni44  1  0.647432  0.375930  0.435759  1
  Ni  Ni45  1  0.805161  0.691420  0.452389  1
  Ni  Ni46  1  0.647320  0.875731  0.435742  1
  Ni  Ni47  1  0.805244  0.191611  0.452445  1
  Ni  Ni48  1  0.963025  0.507211  0.469070  1
  Ni  Ni49  1  0.620800  0.822807  0.485731  1
  Ni  Ni50  1  0.778613  0.138474  0.502397  1
  Ni  Ni51  1  0.463022  0.507205  0.469078  1
  Ni  Ni52  1  0.936445  0.954174  0.519068  1
  Ni  Ni53  1  0.620843  0.322880  0.485745  1
  Ni  Ni54  1  0.778654  0.638546  0.502402  1
  Ni  Ni55  1  0.436439  0.954174  0.519068  1
  Ni  Ni56  1  0.120833  0.322881  0.485745  1
  Ni  Ni57  1  0.278648  0.638546  0.502402  1
  Ni  Ni58  1  0.120800  0.822808  0.485734  1
  Ni  Ni59  1  0.278613  0.138475  0.502399  1
  Ni  Ni60  1  0.436446  0.454176  0.519050  1
  Ni  Ni61  1  0.094306  0.769936  0.535737  1
  Ni  Ni62  1  0.252064  0.085502  0.552402  1
  Ni  Ni63  1  0.936444  0.454171  0.519058  1
  Ni  Ni64  1  0.409978  0.901398  0.569094  1
  Ni  Ni65  1  0.094199  0.269759  0.535706  1
  Ni  Ni66  1  0.252070  0.585505  0.552366  1
  Ni  Ni67  1  0.910016  0.901398  0.569094  1
  Ni  Ni68  1  0.594231  0.269759  0.535706  1
  Ni  Ni69  1  0.752072  0.585504  0.552366  1
  Ni  Ni70  1  0.594305  0.769933  0.535743  1
  Ni  Ni71  1  0.752062  0.085495  0.552390  1
  Ni  Ni72  1  0.909773  0.400954  0.569028  1
  Ni  Ni73  1  0.567762  0.716965  0.585703  1
  Ni  Ni74  1  0.725681  0.032847  0.602462  1
  Ni  Ni75  1  0.409792  0.400992  0.568983  1
  Ni  Ni76  1  0.883740  0.848569  0.619035  1
  Ni  Ni77  1  0.567672  0.216667  0.585713  1
  Ni  Ni78  1  0.725444  0.532287  0.602262  1
  Ni  Ni79  1  0.383299  0.848569  0.619037  1
  Ni  Ni80  1  0.067535  0.216666  0.585715  1
  Ni  Ni81  1  0.225368  0.532292  0.602260  1
  Ni  Ni82  1  0.067759  0.716959  0.585675  1
  Ni  Ni83  1  0.225683  0.032861  0.602514  1
  Ni  Ni84  1  0.383030  0.347607  0.618885  1
  Ni  Ni85  1  0.041253  0.664059  0.635502  1
  Ni  Ni86  1  0.199272  0.980193  0.652648  1
  Ni  Ni87  1  0.882913  0.347370  0.619095  1
  Ni  Ni88  1  0.357440  0.796074  0.668867  1
  Ni  Ni89  1  0.041051  0.163932  0.635938  1
  Ni  Ni90  1  0.198578  0.478871  0.651966  1
  Ni  Ni91  1  0.857014  0.796081  0.668866  1
  Ni  Ni92  1  0.541301  0.163931  0.635932  1
  Ni  Ni93  1  0.698673  0.478859  0.651969  1
  Ni  Ni94  1  0.541238  0.664020  0.635578  1
  Ni  Ni95  1  0.698817  0.979277  0.652358  1
  Ni  Ni96  1  0.857433  0.296450  0.669766  1
  Ni  Ni97  1  0.513839  0.609336  0.684992  1
  Ni  Ni98  1  0.672494  0.926800  0.703332  1
  Ni  Ni99  1  0.357529  0.296647  0.668829  1
  Ni  Ni100  1  0.826461  0.734906  0.718826  1
  Ni  Ni101  1  0.518147  0.111491  0.686070  1
  Ni  Ni102  1  0.676104  0.429430  0.703348  1
  Ni  Ni103  1  0.326631  0.734898  0.718826  1
  Ni  Ni104  1  0.011633  0.111487  0.686087  1
  Ni  Ni105  1  0.171806  0.429485  0.703343  1
  Ni  Ni106  1  0.014460  0.610614  0.684812  1
  Ni  Ni107  1  0.172351  0.926498  0.703219  1
  Ni  Ni108  1  0.329836  0.241372  0.718296  1
