# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27975610
_cell_length_b   12.42848342
_cell_length_c   47.21051013
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.91855460
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2473.635538
_cell_formula_units_Z   102
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  0.147300  0.145455  0.280052  1
  Ni  Ni2  1  0.314203  0.473006  0.288465  1
  Ni  Ni3  1  0.482185  0.799882  0.296756  1
  Ni  Ni4  1  0.404224  0.979061  0.276458  1
  Ni  Ni5  1  0.583512  0.308555  0.284225  1
  Ni  Ni6  1  0.751922  0.637177  0.292453  1
  Ni  Ni7  1  0.649468  0.132925  0.307080  1
  Ni  Ni8  1  0.815834  0.462601  0.315625  1
  Ni  Ni9  1  0.981801  0.791965  0.323853  1
  Ni  Ni10  1  0.899193  0.965921  0.302351  1
  Ni  Ni11  1  0.070184  0.298131  0.311439  1
  Ni  Ni12  1  0.237279  0.626991  0.319853  1
  Ni  Ni13  1  0.145209  0.122089  0.333308  1
  Ni  Ni14  1  0.312583  0.452423  0.342069  1
  Ni  Ni15  1  0.477222  0.782304  0.350460  1
  Ni  Ni16  1  0.395354  0.956834  0.329085  1
  Ni  Ni17  1  0.563067  0.287412  0.337751  1
  Ni  Ni18  1  0.730216  0.617431  0.346242  1
  Ni  Ni19  1  0.640365  0.112260  0.359445  1
  Ni  Ni20  1  0.807233  0.442353  0.368137  1
  Ni  Ni21  1  0.971746  0.772265  0.376669  1
  Ni  Ni22  1  0.891730  0.947259  0.355043  1
  Ni  Ni23  1  0.058312  0.277227  0.363833  1
  Ni  Ni24  1  0.224877  0.607385  0.372400  1
  Ni  Ni25  1  0.135426  0.102078  0.385752  1
  Ni  Ni26  1  0.301637  0.432157  0.394478  1
  Ni  Ni27  1  0.466311  0.761975  0.403091  1
  Ni  Ni28  1  0.387799  0.937044  0.381366  1
  Ni  Ni29  1  0.553613  0.267125  0.390152  1
  Ni  Ni30  1  0.719742  0.597160  0.398751  1
  Ni  Ni31  1  0.630549  0.091904  0.412018  1
  Ni  Ni32  1  0.796366  0.421991  0.420740  1
  Ni  Ni33  1  0.961167  0.751864  0.429410  1
  Ni  Ni34  1  0.883289  0.926847  0.407595  1
  Ni  Ni35  1  0.048657  0.256939  0.416405  1
  Ni  Ni36  1  0.214469  0.586969  0.425054  1
  Ni  Ni37  1  0.125568  0.081729  0.438307  1
  Ni  Ni38  1  0.291167  0.411797  0.447036  1
  Ni  Ni39  1  0.456037  0.741698  0.455745  1
  Ni  Ni40  1  0.378549  0.916744  0.433902  1
  Ni  Ni41  1  0.543665  0.246765  0.442692  1
  Ni  Ni42  1  0.709269  0.576792  0.451368  1
  Ni  Ni43  1  0.620574  0.071578  0.464599  1
  Ni  Ni44  1  0.786038  0.401620  0.473322  1
  Ni  Ni45  1  0.950957  0.731549  0.482060  1
  Ni  Ni46  1  0.873615  0.906600  0.460194  1
  Ni  Ni47  1  0.038631  0.236587  0.468973  1
  Ni  Ni48  1  0.204104  0.566612  0.477673  1
  Ni  Ni49  1  0.115513  0.061410  0.490896  1
  Ni  Ni50  1  0.280942  0.391439  0.499611  1
  Ni  Ni51  1  0.445901  0.721396  0.508370  1
  Ni  Ni52  1  0.368611  0.896459  0.486501  1
  Ni  Ni53  1  0.533569  0.226415  0.495260  1
  Ni  Ni54  1  0.698998  0.556444  0.503975  1
  Ni  Ni55  1  0.610407  0.051243  0.517197  1
  Ni  Ni56  1  0.775881  0.381267  0.525898  1
  Ni  Ni57  1  0.940896  0.711254  0.534677  1
  Ni  Ni58  1  0.863555  0.886306  0.512811  1
  Ni  Ni59  1  0.028473  0.216234  0.521549  1
  Ni  Ni60  1  0.193938  0.546277  0.530271  1
  Ni  Ni61  1  0.105243  0.041063  0.543503  1
  Ni  Ni62  1  0.270846  0.371090  0.552179  1
  Ni  Ni63  1  0.435963  0.701110  0.560969  1
  Ni  Ni64  1  0.358474  0.876157  0.539126  1
  Ni  Ni65  1  0.523344  0.206058  0.547835  1
  Ni  Ni66  1  0.688943  0.536125  0.556564  1
  Ni  Ni67  1  0.600042  0.030886  0.569816  1
  Ni  Ni68  1  0.765855  0.360916  0.578465  1
  Ni  Ni69  1  0.931223  0.691008  0.587276  1
  Ni  Ni70  1  0.853344  0.865990  0.565461  1
  Ni  Ni71  1  0.018145  0.195863  0.574131  1
  Ni  Ni72  1  0.183962  0.525950  0.582853  1
  Ni  Ni73  1  0.094769  0.020695  0.596120  1
  Ni  Ni74  1  0.260898  0.350730  0.604719  1
  Ni  Ni75  1  0.426713  0.680811  0.613505  1
  Ni  Ni76  1  0.348200  0.855880  0.591780  1
  Ni  Ni77  1  0.512875  0.185697  0.600393  1
  Ni  Ni78  1  0.679085  0.515777  0.609119  1
  Ni  Ni79  1  0.589635  0.010470  0.622471  1
  Ni  Ni80  1  0.756200  0.340628  0.631038  1
  Ni  Ni81  1  0.922781  0.670596  0.639828  1
  Ni  Ni82  1  0.842766  0.845589  0.618202  1
  Ni  Ni83  1  0.007278  0.175502  0.626734  1
  Ni  Ni84  1  0.174147  0.505594  0.635426  1
  Ni  Ni85  1  0.084295  1.000424  0.648628  1
  Ni  Ni86  1  0.251445  0.330443  0.657120  1
  Ni  Ni87  1  0.419157  0.661021  0.665786  1
  Ni  Ni88  1  0.337290  0.835551  0.644411  1
  Ni  Ni89  1  0.501929  0.165431  0.652802  1
  Ni  Ni90  1  0.669302  0.495766  0.661563  1
  Ni  Ni91  1  0.577233  0.990863  0.675017  1
  Ni  Ni92  1  0.744328  0.319723  0.683432  1
  Ni  Ni93  1  0.915319  0.651934  0.692520  1
  Ni  Ni94  1  0.832711  0.825890  0.671018  1
  Ni  Ni95  1  0.998678  0.155254  0.679245  1
  Ni  Ni96  1  0.165043  0.484930  0.687790  1
  Ni  Ni97  1  0.062589  0.980678  0.702418  1
  Ni  Ni98  1  0.230999  0.309299  0.710646  1
  Ni  Ni99  1  0.410288  0.638793  0.718413  1
  Ni  Ni100  1  0.332327  0.817973  0.698115  1
  Ni  Ni101  1  0.500309  0.144848  0.706405  1
  Ni  Ni102  1  0.667212  0.472400  0.714819  1
