# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98713909
_cell_length_b   11.06965139
_cell_length_c   48.42714911
_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   2605.77030425
_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  0.805477  0.025103  0.295499  1
  Ni  Ni2  1  0.961573  0.342125  0.312864  1
  Ni  Ni3  1  0.648625  0.715409  0.279853  1
  Ni  Ni4  1  0.119446  0.156142  0.329643  1
  Ni  Ni5  1  0.805965  0.528557  0.295759  1
  Ni  Ni6  1  0.962549  0.842287  0.313009  1
  Ni  Ni7  1  0.148504  0.213881  0.281321  1
  Ni  Ni8  1  0.303925  0.524487  0.295298  1
  Ni  Ni9  1  0.462743  0.842584  0.313010  1
  Ni  Ni10  1  0.302535  0.024992  0.295510  1
  Ni  Ni11  1  0.463627  0.342101  0.312848  1
  Ni  Ni12  1  0.149853  0.715419  0.279856  1
  Ni  Ni13  1  0.278671  0.974057  0.345730  1
  Ni  Ni14  1  0.436139  0.288695  0.362169  1
  Ni  Ni15  1  0.120559  0.656646  0.328707  1
  Ni  Ni16  1  0.593648  0.105091  0.378720  1
  Ni  Ni17  1  0.277739  0.472876  0.345350  1
  Ni  Ni18  1  0.435486  0.788588  0.362354  1
  Ni  Ni19  1  0.620163  0.157621  0.327808  1
  Ni  Ni20  1  0.778054  0.473550  0.345519  1
  Ni  Ni21  1  0.935433  0.788504  0.362335  1
  Ni  Ni22  1  0.777935  0.974078  0.345725  1
  Ni  Ni23  1  0.934915  0.288689  0.362175  1
  Ni  Ni24  1  0.618849  0.656642  0.328706  1
  Ni  Ni25  1  0.750942  0.920176  0.395702  1
  Ni  Ni26  1  0.908645  0.235853  0.412370  1
  Ni  Ni27  1  0.592993  0.604151  0.378915  1
  Ni  Ni28  1  0.066528  0.051368  0.429161  1
  Ni  Ni29  1  0.751019  0.420002  0.395618  1
  Ni  Ni30  1  0.908731  0.735597  0.412348  1
  Ni  Ni31  1  0.093349  0.104495  0.379326  1
  Ni  Ni32  1  0.250963  0.419881  0.395570  1
  Ni  Ni33  1  0.408730  0.735592  0.412357  1
  Ni  Ni34  1  0.251265  0.920172  0.395704  1
  Ni  Ni35  1  0.409077  0.235854  0.412368  1
  Ni  Ni36  1  0.093378  0.604150  0.378914  1
  Ni  Ni37  1  0.224308  0.866989  0.445745  1
  Ni  Ni38  1  0.382093  0.182711  0.462443  1
  Ni  Ni39  1  0.066514  0.551257  0.429015  1
  Ni  Ni40  1  0.539747  0.998322  0.479114  1
  Ni  Ni41  1  0.224280  0.367037  0.445728  1
  Ni  Ni42  1  0.381979  0.682612  0.462427  1
  Ni  Ni43  1  0.566615  0.051539  0.428989  1
  Ni  Ni44  1  0.724297  0.367075  0.445743  1
  Ni  Ni45  1  0.881983  0.682620  0.462424  1
  Ni  Ni46  1  0.724200  0.866990  0.445745  1
  Ni  Ni47  1  0.881963  0.182711  0.462444  1
  Ni  Ni48  1  0.566436  0.551257  0.429015  1
  Ni  Ni49  1  0.697451  0.813963  0.495825  1
  Ni  Ni50  1  0.855168  0.129569  0.512512  1
  Ni  Ni51  1  0.539742  0.498329  0.479124  1
  Ni  Ni52  1  0.012972  0.945292  0.529206  1
  Ni  Ni53  1  0.697487  0.313974  0.495820  1
  Ni  Ni54  1  0.855246  0.629667  0.512521  1
  Ni  Ni55  1  0.039728  0.998285  0.479151  1
  Ni  Ni56  1  0.197481  0.313962  0.495817  1
  Ni  Ni57  1  0.355241  0.629655  0.512519  1
  Ni  Ni58  1  0.197511  0.813963  0.495825  1
  Ni  Ni59  1  0.355227  0.129569  0.512512  1
  Ni  Ni60  1  0.039760  0.498328  0.479124  1
  Ni  Ni61  1  0.170823  0.761045  0.545925  1
  Ni  Ni62  1  0.328446  0.076493  0.562613  1
  Ni  Ni63  1  0.012951  0.445258  0.529197  1
  Ni  Ni64  1  0.486239  0.892349  0.579426  1
  Ni  Ni65  1  0.170627  0.260773  0.545882  1
  Ni  Ni66  1  0.328469  0.576628  0.562580  1
  Ni  Ni67  1  0.512957  0.945263  0.529237  1
  Ni  Ni68  1  0.670632  0.260782  0.545879  1
  Ni  Ni69  1  0.828485  0.576664  0.562590  1
  Ni  Ni70  1  0.670700  0.761044  0.545926  1
  Ni  Ni71  1  0.828354  0.076494  0.562613  1
  Ni  Ni72  1  0.512961  0.445258  0.529197  1
  Ni  Ni73  1  0.643883  0.708203  0.596001  1
  Ni  Ni74  1  0.801527  0.023528  0.612799  1
  Ni  Ni75  1  0.486101  0.392002  0.579224  1
  Ni  Ni76  1  0.959835  0.840061  0.629242  1
  Ni  Ni77  1  0.643760  0.207557  0.595969  1
  Ni  Ni78  1  0.801622  0.523458  0.612568  1
  Ni  Ni79  1  0.986312  0.892493  0.579271  1
  Ni  Ni80  1  0.143758  0.207553  0.595983  1
  Ni  Ni81  1  0.301557  0.523321  0.612537  1
  Ni  Ni82  1  0.144278  0.708204  0.595999  1
  Ni  Ni83  1  0.301783  0.023525  0.612800  1
  Ni  Ni84  1  0.986036  0.392002  0.579224  1
  Ni  Ni85  1  0.117694  0.654664  0.645906  1
  Ni  Ni86  1  0.275422  0.971086  0.663277  1
  Ni  Ni87  1  0.959032  0.338826  0.629254  1
  Ni  Ni88  1  0.431893  0.784736  0.680057  1
  Ni  Ni89  1  0.116845  0.154220  0.646201  1
  Ni  Ni90  1  0.274724  0.470141  0.662525  1
  Ni  Ni91  1  0.459585  0.839567  0.629797  1
  Ni  Ni92  1  0.616765  0.154073  0.646162  1
  Ni  Ni93  1  0.775143  0.471020  0.662639  1
  Ni  Ni94  1  0.616410  0.654659  0.645911  1
  Ni  Ni95  1  0.774894  0.971102  0.663273  1
  Ni  Ni96  1  0.459432  0.338826  0.629253  1
  Ni  Ni97  1  0.587932  0.600643  0.695311  1
  Ni  Ni98  1  0.747521  0.913888  0.712424  1
  Ni  Ni99  1  0.434010  0.286818  0.678979  1
  Ni  Ni100  1  0.902582  0.726443  0.727007  1
  Ni  Ni101  1  0.590759  0.102928  0.696341  1
  Ni  Ni102  1  0.749667  0.420235  0.712215  1
  Ni  Ni103  1  0.932504  0.785996  0.678476  1
  Ni  Ni104  1  0.090966  0.103273  0.696357  1
  Ni  Ni105  1  0.246462  0.413814  0.711874  1
  Ni  Ni106  1  0.091589  0.600615  0.695298  1
  Ni  Ni107  1  0.244926  0.913798  0.712434  1
  Ni  Ni108  1  0.931926  0.286820  0.678980  1
