# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.89963074
_cell_length_b   12.51067342
_cell_length_c   47.98839556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.12391120
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5292.64354092
_cell_formula_units_Z   216
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  0.031612  0.762463  0.279944  1
  Ni  Ni2  1  0.364945  0.429129  0.279944  1
  Ni  Ni3  1  0.299133  0.758439  0.290721  1
  Ni  Ni4  1  0.698279  0.095796  0.279944  1
  Ni  Ni5  1  0.632466  0.425105  0.290721  1
  Ni  Ni6  1  0.570456  0.748433  0.301624  1
  Ni  Ni7  1  0.965800  0.091772  0.290721  1
  Ni  Ni8  1  0.903789  0.415099  0.301624  1
  Ni  Ni9  1  0.237123  0.081766  0.301624  1
  Ni  Ni10  1  0.029300  0.582032  0.299334  1
  Ni  Ni11  1  0.362633  0.248698  0.299334  1
  Ni  Ni12  1  0.298567  0.579234  0.311373  1
  Ni  Ni13  1  0.695966  0.915365  0.299334  1
  Ni  Ni14  1  0.631900  0.245901  0.311373  1
  Ni  Ni15  1  0.755805  0.590925  0.288782  1
  Ni  Ni16  1  0.965233  0.912567  0.311373  1
  Ni  Ni17  1  0.089138  0.257592  0.288782  1
  Ni  Ni18  1  0.422471  0.924259  0.288782  1
  Ni  Ni19  1  0.841379  0.741412  0.314489  1
  Ni  Ni20  1  0.174712  0.408079  0.314489  1
  Ni  Ni21  1  0.111965  0.735001  0.327442  1
  Ni  Ni22  1  0.508045  0.074746  0.314489  1
  Ni  Ni23  1  0.445299  0.401668  0.327442  1
  Ni  Ni24  1  0.382577  0.729638  0.339116  1
  Ni  Ni25  1  0.778632  0.068335  0.327442  1
  Ni  Ni26  1  0.715911  0.396305  0.339116  1
  Ni  Ni27  1  0.049244  0.062972  0.339116  1
  Ni  Ni28  1  0.839177  0.562235  0.336714  1
  Ni  Ni29  1  0.172511  0.228902  0.336714  1
  Ni  Ni30  1  0.109320  0.555915  0.348806  1
  Ni  Ni31  1  0.505844  0.895569  0.336714  1
  Ni  Ni32  1  0.442654  0.222582  0.348806  1
  Ni  Ni33  1  0.565773  0.570546  0.324134  1
  Ni  Ni34  1  0.775987  0.889249  0.348806  1
  Ni  Ni35  1  0.899107  0.237212  0.324134  1
  Ni  Ni36  1  0.232440  0.903879  0.324134  1
  Ni  Ni37  1  0.653008  0.721118  0.351097  1
  Ni  Ni38  1  0.986342  0.387784  0.351097  1
  Ni  Ni39  1  0.923053  0.714395  0.363745  1
  Ni  Ni40  1  0.319675  0.054451  0.351097  1
  Ni  Ni41  1  0.256386  0.381062  0.363745  1
  Ni  Ni42  1  0.193876  0.708086  0.376240  1
  Ni  Ni43  1  0.589720  0.047729  0.363745  1
  Ni  Ni44  1  0.527210  0.374752  0.376240  1
  Ni  Ni45  1  0.860543  0.041419  0.376240  1
  Ni  Ni46  1  0.649233  0.542862  0.373650  1
  Ni  Ni47  1  0.982566  0.209529  0.373650  1
  Ni  Ni48  1  0.920473  0.535365  0.386072  1
  Ni  Ni49  1  0.315899  0.876196  0.373650  1
  Ni  Ni50  1  0.253807  0.202032  0.386072  1
  Ni  Ni51  1  0.378389  0.550017  0.361282  1
  Ni  Ni52  1  0.587140  0.868698  0.386072  1
  Ni  Ni53  1  0.711723  0.216683  0.361282  1
  Ni  Ni54  1  0.045056  0.883350  0.361282  1
  Ni  Ni55  1  0.464480  0.701281  0.388397  1
  Ni  Ni56  1  0.797813  0.367947  0.388397  1
  Ni  Ni57  1  0.734881  0.694097  0.400736  1
  Ni  Ni58  1  0.131146  0.034614  0.388397  1
  Ni  Ni59  1  0.068215  0.360763  0.400736  1
  Ni  Ni60  1  0.005341  0.687345  0.413179  1
  Ni  Ni61  1  0.401548  0.027430  0.400736  1
  Ni  Ni62  1  0.338674  0.354012  0.413179  1
  Ni  Ni63  1  0.672008  0.020678  0.413179  1
  Ni  Ni64  1  0.461086  0.522212  0.410850  1
  Ni  Ni65  1  0.794420  0.188879  0.410850  1
  Ni  Ni66  1  0.731709  0.515231  0.423203  1
  Ni  Ni67  1  0.127753  0.855545  0.410850  1
  Ni  Ni68  1  0.065043  0.181898  0.423203  1
  Ni  Ni69  1  0.190678  0.528780  0.398470  1
  Ni  Ni70  1  0.398376  0.848565  0.423203  1
  Ni  Ni71  1  0.524011  0.195447  0.398470  1
  Ni  Ni72  1  0.857345  0.862113  0.398470  1
  Ni  Ni73  1  0.275987  0.680649  0.425558  1
  Ni  Ni74  1  0.609320  0.347316  0.425558  1
  Ni  Ni75  1  0.546514  0.673824  0.437880  1
  Ni  Ni76  1  0.942654  0.013982  0.425558  1
  Ni  Ni77  1  0.879847  0.340491  0.437880  1
  Ni  Ni78  1  0.817015  0.666924  0.450250  1
  Ni  Ni79  1  0.213180  0.007157  0.437880  1
  Ni  Ni80  1  0.150349  0.333591  0.450250  1
  Ni  Ni81  1  0.483682  1.000258  0.450250  1
  Ni  Ni82  1  0.272841  0.501534  0.447992  1
  Ni  Ni83  1  0.606175  0.168201  0.447992  1
  Ni  Ni84  1  0.543384  0.494761  0.460360  1
  Ni  Ni85  1  0.939508  0.834868  0.447992  1
  Ni  Ni86  1  0.876717  0.161427  0.460360  1
  Ni  Ni87  1  1.002313  0.508294  0.435607  1
  Ni  Ni88  1  0.210051  0.828094  0.460360  1
  Ni  Ni89  1  0.335647  0.174961  0.435607  1
  Ni  Ni90  1  0.668980  0.841627  0.435607  1
  Ni  Ni91  1  0.087581  0.660121  0.462637  1
  Ni  Ni92  1  0.420914  0.326788  0.462637  1
  Ni  Ni93  1  0.358160  0.653324  0.475010  1
  Ni  Ni94  1  0.754248  0.993455  0.462637  1
  Ni  Ni95  1  0.691493  0.319991  0.475010  1
  Ni  Ni96  1  0.628694  0.646495  0.487371  1
  Ni  Ni97  1  0.024826  0.986657  0.475010  1
  Ni  Ni98  1  0.962027  0.313162  0.487371  1
  Ni  Ni99  1  0.295360  0.979829  0.487371  1
  Ni  Ni100  1  0.084497  0.481063  0.485108  1
  Ni  Ni101  1  0.417830  0.147730  0.485108  1
  Ni  Ni102  1  0.355065  0.474256  0.497487  1
  Ni  Ni103  1  0.751163  0.814396  0.485108  1
  Ni  Ni104  1  0.688399  0.140923  0.497487  1
  Ni  Ni105  1  0.813924  0.487902  0.472727  1
  Ni  Ni106  1  0.021732  0.807590  0.497487  1
  Ni  Ni107  1  0.147257  0.154568  0.472727  1
  Ni  Ni108  1  0.480590  0.821235  0.472727  1
  Ni  Ni109  1  0.899237  0.639666  0.499742  1
  Ni  Ni110  1  0.232571  0.306333  0.499742  1
  Ni  Ni111  1  0.169806  0.632860  0.512120  1
  Ni  Ni112  1  0.565904  0.972999  0.499742  1
  Ni  Ni113  1  0.503139  0.299526  0.512120  1
  Ni  Ni114  1  0.440379  0.626021  0.524502  1
  Ni  Ni115  1  0.836473  0.966193  0.512120  1
  Ni  Ni116  1  0.773712  0.292688  0.524502  1
  Ni  Ni117  1  0.107046  0.959354  0.524502  1
  Ni  Ni118  1  0.896143  0.460599  0.522218  1
  Ni  Ni119  1  0.229477  0.127265  0.522218  1
  Ni  Ni120  1  0.166722  0.453801  0.534591  1
  Ni  Ni121  1  0.562810  0.793932  0.522218  1
  Ni  Ni122  1  0.500055  0.120468  0.534591  1
  Ni  Ni123  1  0.625609  0.467427  0.509857  1
  Ni  Ni124  1  0.833388  0.787135  0.534591  1
  Ni  Ni125  1  0.958942  0.134094  0.509857  1
  Ni  Ni126  1  0.292276  0.800760  0.509857  1
  Ni  Ni127  1  0.710919  0.619162  0.536869  1
  Ni  Ni128  1  0.044252  0.285828  0.536869  1
  Ni  Ni129  1  0.981461  0.612388  0.549237  1
  Ni  Ni130  1  0.377586  0.952495  0.536869  1
  Ni  Ni131  1  0.314795  0.279055  0.549237  1
  Ni  Ni132  1  0.251989  0.605629  0.561622  1
  Ni  Ni133  1  0.648128  0.945722  0.549237  1
  Ni  Ni134  1  0.585323  0.272295  0.561622  1
  Ni  Ni135  1  0.918656  0.938962  0.561622  1
  Ni  Ni136  1  0.707789  0.440099  0.559349  1
  Ni  Ni137  1  0.041122  0.106765  0.559349  1
  Ni  Ni138  1  0.978316  0.433273  0.571670  1
  Ni  Ni139  1  0.374456  0.773432  0.559349  1
  Ni  Ni140  1  0.311649  0.099940  0.571670  1
  Ni  Ni141  1  0.437288  0.446998  0.546979  1
  Ni  Ni142  1  0.644983  0.766607  0.571670  1
  Ni  Ni143  1  0.770621  0.113665  0.546979  1
  Ni  Ni144  1  0.103954  0.780331  0.546979  1
  Ni  Ni145  1  0.522593  0.598691  0.574025  1
  Ni  Ni146  1  0.855927  0.265358  0.574025  1
  Ni  Ni147  1  0.793217  0.591711  0.586378  1
  Ni  Ni148  1  0.189260  0.932024  0.574025  1
  Ni  Ni149  1  0.126550  0.258377  0.586378  1
  Ni  Ni150  1  0.063625  0.585143  0.598758  1
  Ni  Ni151  1  0.459883  0.925044  0.586378  1
  Ni  Ni152  1  0.396958  0.251809  0.598758  1
  Ni  Ni153  1  0.730292  0.918476  0.598758  1
  Ni  Ni154  1  0.519421  0.419826  0.596493  1
  Ni  Ni155  1  0.852755  0.086492  0.596493  1
  Ni  Ni156  1  0.789823  0.412642  0.608832  1
  Ni  Ni157  1  0.186088  0.753159  0.596493  1
  Ni  Ni158  1  0.123157  0.079308  0.608832  1
  Ni  Ni159  1  0.248962  0.426578  0.584050  1
  Ni  Ni160  1  0.456490  0.745975  0.608832  1
  Ni  Ni161  1  0.582295  0.093244  0.584050  1
  Ni  Ni162  1  0.915628  0.759911  0.584050  1
  Ni  Ni163  1  0.333830  0.578558  0.611156  1
  Ni  Ni164  1  0.667163  0.245224  0.611156  1
  Ni  Ni165  1  0.605070  0.571060  0.623579  1
  Ni  Ni166  1  1.000496  0.911891  0.611156  1
  Ni  Ni167  1  0.938404  0.237727  0.623579  1
  Ni  Ni168  1  0.875913  0.563906  0.635946  1
  Ni  Ni169  1  0.271737  0.904394  0.623579  1
  Ni  Ni170  1  0.209247  0.230572  0.635946  1
  Ni  Ni171  1  0.542580  0.897239  0.635946  1
  Ni  Ni172  1  0.331250  0.399527  0.633484  1
  Ni  Ni173  1  0.664583  0.066194  0.633484  1
  Ni  Ni174  1  0.601294  0.392805  0.646131  1
  Ni  Ni175  1  0.997916  0.732861  0.633484  1
  Ni  Ni176  1  0.934628  0.059471  0.646131  1
  Ni  Ni177  1  0.060426  0.405837  0.620988  1
  Ni  Ni178  1  0.267961  0.726138  0.646131  1
  Ni  Ni179  1  0.393760  0.072503  0.620988  1
  Ni  Ni180  1  0.727093  0.739170  0.620988  1
  Ni  Ni181  1  0.144982  0.558007  0.648423  1
  Ni  Ni182  1  0.478316  0.224674  0.648423  1
  Ni  Ni183  1  0.415126  0.551687  0.660515  1
  Ni  Ni184  1  0.811649  0.891340  0.648423  1
  Ni  Ni185  1  0.748459  0.218354  0.660515  1
  Ni  Ni186  1  0.688530  0.543377  0.673094  1
  Ni  Ni187  1  0.081792  0.885021  0.660515  1
  Ni  Ni188  1  0.021863  0.210044  0.673094  1
  Ni  Ni189  1  0.355196  0.876710  0.673094  1
  Ni  Ni190  1  0.142337  0.378921  0.669787  1
  Ni  Ni191  1  0.475671  0.045588  0.669787  1
  Ni  Ni192  1  0.412924  0.372510  0.682739  1
  Ni  Ni193  1  0.809004  0.712254  0.669787  1
  Ni  Ni194  1  0.746257  0.039177  0.682739  1
  Ni  Ni195  1  0.871725  0.384284  0.658113  1
  Ni  Ni196  1  0.079591  0.705843  0.682739  1
  Ni  Ni197  1  0.205059  0.050951  0.658113  1
  Ni  Ni198  1  0.538392  0.717618  0.658113  1
  Ni  Ni199  1  0.955736  0.534688  0.685856  1
  Ni  Ni200  1  0.289069  0.201355  0.685856  1
  Ni  Ni201  1  0.225003  0.531891  0.697894  1
  Ni  Ni202  1  0.622403  0.868022  0.685856  1
  Ni  Ni203  1  0.558336  0.198558  0.697894  1
  Ni  Ni204  1  0.498498  0.522997  0.708447  1
  Ni  Ni205  1  0.891670  0.865224  0.697894  1
  Ni  Ni206  1  0.831831  0.189664  0.708447  1
  Ni  Ni207  1  0.165165  0.856330  0.708447  1
  Ni  Ni208  1  0.955170  0.355484  0.706508  1
  Ni  Ni209  1  0.288503  0.022151  0.706508  1
  Ni  Ni210  1  0.222691  0.351460  0.717285  1
  Ni  Ni211  1  0.621836  0.688817  0.706508  1
  Ni  Ni212  1  0.556024  0.018127  0.717285  1
  Ni  Ni213  1  0.683847  0.365490  0.695605  1
  Ni  Ni214  1  0.889358  0.684793  0.717285  1
  Ni  Ni215  1  0.017180  0.032157  0.695605  1
  Ni  Ni216  1  0.350513  0.698823  0.695605  1
