# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.50367299
_cell_length_b   12.69639800
_cell_length_c   47.97359624
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   92.10153759
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni162
_cell_volume   3958.66999676
_cell_formula_units_Z   162
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  0.551857  0.188627  0.315948  1
  Ni  Ni2  1  0.534731  0.864730  0.298598  1
  Ni  Ni3  1  0.505747  0.545486  0.284706  1
  Ni  Ni4  1  0.885190  0.855294  0.315948  1
  Ni  Ni5  1  0.868064  0.531397  0.298598  1
  Ni  Ni6  1  0.218524  0.521960  0.315948  1
  Ni  Ni7  1  0.839080  0.212153  0.284706  1
  Ni  Ni8  1  0.201397  0.198064  0.298598  1
  Ni  Ni9  1  0.172413  0.878819  0.284706  1
  Ni  Ni10  1  0.638037  0.367577  0.296378  1
  Ni  Ni11  1  0.613978  0.048616  0.282456  1
  Ni  Ni12  1  0.659849  0.688672  0.313308  1
  Ni  Ni13  1  0.971370  0.034243  0.296378  1
  Ni  Ni14  1  0.947312  0.715282  0.282456  1
  Ni  Ni15  1  0.304704  0.700910  0.296378  1
  Ni  Ni16  1  0.993182  0.355338  0.313308  1
  Ni  Ni17  1  0.280645  0.381949  0.282456  1
  Ni  Ni18  1  0.326516  0.022005  0.313308  1
  Ni  Ni19  1  0.622537  0.151587  0.365744  1
  Ni  Ni20  1  0.598888  0.830275  0.349084  1
  Ni  Ni21  1  0.578174  0.507709  0.332719  1
  Ni  Ni22  1  0.955871  0.818253  0.365744  1
  Ni  Ni23  1  0.932222  0.496941  0.349084  1
  Ni  Ni24  1  0.289204  0.484920  0.365744  1
  Ni  Ni25  1  0.911508  0.174376  0.332719  1
  Ni  Ni26  1  0.265555  0.163608  0.349084  1
  Ni  Ni27  1  0.244841  0.841042  0.332719  1
  Ni  Ni28  1  0.706360  0.331794  0.346449  1
  Ni  Ni29  1  0.684182  0.010607  0.330370  1
  Ni  Ni30  1  0.728306  0.653325  0.363133  1
  Ni  Ni31  1  0.039693  0.998460  0.346449  1
  Ni  Ni32  1  0.017516  0.677274  0.330370  1
  Ni  Ni33  1  0.373026  0.665127  0.346449  1
  Ni  Ni34  1  0.061639  0.319992  0.363133  1
  Ni  Ni35  1  0.350849  0.343941  0.330370  1
  Ni  Ni36  1  0.394973  0.986659  0.363133  1
  Ni  Ni37  1  0.691824  0.115398  0.415966  1
  Ni  Ni38  1  0.668997  0.793963  0.399229  1
  Ni  Ni39  1  0.645888  0.472547  0.382613  1
  Ni  Ni40  1  0.025157  0.782065  0.415966  1
  Ni  Ni41  1  1.002330  0.460630  0.399229  1
  Ni  Ni42  1  0.358491  0.448731  0.415966  1
  Ni  Ni43  1  0.979222  0.139214  0.382613  1
  Ni  Ni44  1  0.335663  0.127297  0.399229  1
  Ni  Ni45  1  0.312555  0.805881  0.382613  1
  Ni  Ni46  1  0.774462  0.295836  0.396623  1
  Ni  Ni47  1  0.751567  0.974534  0.380035  1
  Ni  Ni48  1  0.797254  0.617208  0.413339  1
  Ni  Ni49  1  0.107795  0.962503  0.396623  1
  Ni  Ni50  1  0.084901  0.641201  0.380035  1
  Ni  Ni51  1  0.441128  0.629170  0.396623  1
  Ni  Ni52  1  0.130587  0.283875  0.413339  1
  Ni  Ni53  1  0.418234  0.307868  0.380035  1
  Ni  Ni54  1  0.463920  0.950541  0.413339  1
  Ni  Ni55  1  0.760930  0.079387  0.466119  1
  Ni  Ni56  1  0.737943  0.758021  0.449400  1
  Ni  Ni57  1  0.714988  0.436657  0.432701  1
  Ni  Ni58  1  0.094264  0.746053  0.466119  1
  Ni  Ni59  1  0.071277  0.424687  0.449400  1
  Ni  Ni60  1  0.427597  0.412720  0.466119  1
  Ni  Ni61  1  0.048321  0.103323  0.432701  1
  Ni  Ni62  1  0.404610  0.091354  0.449400  1
  Ni  Ni63  1  0.381655  0.769990  0.432701  1
  Ni  Ni64  1  0.843266  0.259897  0.446780  1
  Ni  Ni65  1  0.820277  0.938566  0.430094  1
  Ni  Ni66  1  0.866212  0.581254  0.463496  1
  Ni  Ni67  1  0.176599  0.926564  0.446780  1
  Ni  Ni68  1  0.153610  0.605233  0.430094  1
  Ni  Ni69  1  0.509933  0.593231  0.446780  1
  Ni  Ni70  1  0.199545  0.247921  0.463496  1
  Ni  Ni71  1  0.486944  0.271900  0.430094  1
  Ni  Ni72  1  0.532879  0.914587  0.463496  1
  Ni  Ni73  1  0.829923  0.043414  0.516260  1
  Ni  Ni74  1  0.806933  0.722065  0.499550  1
  Ni  Ni75  1  0.783950  0.400713  0.482838  1
  Ni  Ni76  1  0.163257  0.710081  0.516260  1
  Ni  Ni77  1  0.140266  0.388732  0.499550  1
  Ni  Ni78  1  0.496590  0.376747  0.516260  1
  Ni  Ni79  1  0.117284  0.067380  0.482838  1
  Ni  Ni80  1  0.473600  0.055399  0.499550  1
  Ni  Ni81  1  0.450617  0.734047  0.482838  1
  Ni  Ni82  1  0.912214  0.223944  0.496928  1
  Ni  Ni83  1  0.889224  0.902596  0.480218  1
  Ni  Ni84  1  0.935197  0.545296  0.513640  1
  Ni  Ni85  1  0.245548  0.890611  0.496928  1
  Ni  Ni86  1  0.222557  0.569262  0.480218  1
  Ni  Ni87  1  0.578881  0.557277  0.496928  1
  Ni  Ni88  1  0.268530  0.211963  0.513640  1
  Ni  Ni89  1  0.555891  0.235929  0.480218  1
  Ni  Ni90  1  0.601864  0.878630  0.513640  1
  Ni  Ni91  1  0.898870  0.007443  0.566384  1
  Ni  Ni92  1  0.875881  0.686112  0.549698  1
  Ni  Ni93  1  0.852935  0.364756  0.532982  1
  Ni  Ni94  1  0.232204  0.674110  0.566384  1
  Ni  Ni95  1  0.209215  0.352779  0.549698  1
  Ni  Ni96  1  0.565537  0.340776  0.566384  1
  Ni  Ni97  1  0.186269  0.031422  0.532982  1
  Ni  Ni98  1  0.542548  0.019445  0.549698  1
  Ni  Ni99  1  0.519602  0.698089  0.532982  1
  Ni  Ni100  1  0.981204  0.187989  0.547078  1
  Ni  Ni101  1  0.958217  0.866623  0.530359  1
  Ni  Ni102  1  1.004159  0.509353  0.563777  1
  Ni  Ni103  1  0.314537  0.854655  0.547078  1
  Ni  Ni104  1  0.291550  0.533289  0.530359  1
  Ni  Ni105  1  0.647871  0.521322  0.547078  1
  Ni  Ni106  1  0.337493  0.176019  0.563777  1
  Ni  Ni107  1  0.624884  0.199956  0.530359  1
  Ni  Ni108  1  0.670826  0.842686  0.563777  1
  Ni  Ni109  1  0.967580  0.971475  0.616444  1
  Ni  Ni110  1  0.944686  0.650173  0.599855  1
  Ni  Ni111  1  0.921894  0.328802  0.583139  1
  Ni  Ni112  1  0.300913  0.638142  0.616444  1
  Ni  Ni113  1  0.278019  0.316840  0.599855  1
  Ni  Ni114  1  0.634247  0.304809  0.616444  1
  Ni  Ni115  1  0.255227  0.995468  0.583139  1
  Ni  Ni116  1  0.611352  0.983507  0.599855  1
  Ni  Ni117  1  0.588560  0.662135  0.583139  1
  Ni  Ni118  1  0.050151  0.152046  0.597249  1
  Ni  Ni119  1  0.027323  0.830612  0.580512  1
  Ni  Ni120  1  0.073259  0.473462  0.613865  1
  Ni  Ni121  1  0.383484  0.818713  0.597249  1
  Ni  Ni122  1  0.360657  0.497278  0.580512  1
  Ni  Ni123  1  0.716817  0.485380  0.597249  1
  Ni  Ni124  1  0.406592  0.140129  0.613865  1
  Ni  Ni125  1  0.693990  0.163945  0.580512  1
  Ni  Ni126  1  0.739926  0.806795  0.613865  1
  Ni  Ni127  1  0.034965  0.935402  0.666108  1
  Ni  Ni128  1  0.012788  0.614216  0.650030  1
  Ni  Ni129  1  0.990841  0.292684  0.633345  1
  Ni  Ni130  1  0.368298  0.602069  0.666108  1
  Ni  Ni131  1  0.346121  0.280883  0.650030  1
  Ni  Ni132  1  0.701632  0.268735  0.666108  1
  Ni  Ni133  1  0.324175  0.959351  0.633345  1
  Ni  Ni134  1  0.679454  0.947549  0.650030  1
  Ni  Ni135  1  0.657508  0.626017  0.633345  1
  Ni  Ni136  1  0.120259  0.115735  0.647395  1
  Ni  Ni137  1  0.096610  0.794423  0.630734  1
  Ni  Ni138  1  0.140973  0.438300  0.663760  1
  Ni  Ni139  1  0.453592  0.782401  0.647395  1
  Ni  Ni140  1  0.429943  0.461090  0.630734  1
  Ni  Ni141  1  0.786926  0.449068  0.647395  1
  Ni  Ni142  1  0.474306  0.104967  0.663760  1
  Ni  Ni143  1  0.763276  0.127756  0.630734  1
  Ni  Ni144  1  0.807640  0.771634  0.663760  1
  Ni  Ni145  1  0.105169  0.897394  0.714022  1
  Ni  Ni146  1  0.081110  0.578433  0.700100  1
  Ni  Ni147  1  0.059298  0.257338  0.683170  1
  Ni  Ni148  1  0.438502  0.564061  0.714022  1
  Ni  Ni149  1  0.414444  0.245099  0.700100  1
  Ni  Ni150  1  0.771836  0.230727  0.714022  1
  Ni  Ni151  1  0.392632  0.924004  0.683170  1
  Ni  Ni152  1  0.747777  0.911766  0.700100  1
  Ni  Ni153  1  0.725965  0.590671  0.683170  1
  Ni  Ni154  1  0.184416  0.081279  0.697880  1
  Ni  Ni155  1  0.167290  0.757382  0.680530  1
  Ni  Ni156  1  0.213401  0.400523  0.711772  1
  Ni  Ni157  1  0.517750  0.747946  0.697880  1
  Ni  Ni158  1  0.500623  0.424049  0.680530  1
  Ni  Ni159  1  0.851083  0.414613  0.697880  1
  Ni  Ni160  1  0.546734  0.067190  0.711772  1
  Ni  Ni161  1  0.833957  0.090716  0.680530  1
  Ni  Ni162  1  0.880067  0.733857  0.711772  1
