# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.59298637
_cell_length_b   13.34400930
_cell_length_c   46.29303115
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.19768083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   5024.92046607
_cell_formula_units_Z   204
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  0.941323  0.698481  0.298980  1
  Ni  Ni2  1  0.441323  0.698481  0.298980  1
  Ni  Ni3  1  0.025086  0.037291  0.291070  1
  Ni  Ni4  1  0.100761  0.381279  0.283088  1
  Ni  Ni5  1  0.525086  0.037291  0.291070  1
  Ni  Ni6  1  0.600761  0.381279  0.283088  1
  Ni  Ni7  1  0.190554  0.537268  0.291070  1
  Ni  Ni8  1  0.690554  0.537268  0.291070  1
  Ni  Ni9  1  0.270910  0.881300  0.283085  1
  Ni  Ni10  1  0.113136  0.198472  0.298978  1
  Ni  Ni11  1  0.770910  0.881300  0.283085  1
  Ni  Ni12  1  0.613136  0.198472  0.298978  1
  Ni  Ni13  1  0.701886  0.679329  0.324650  1
  Ni  Ni14  1  0.201886  0.679329  0.324650  1
  Ni  Ni15  1  0.784159  0.018419  0.316397  1
  Ni  Ni16  1  0.862540  0.357757  0.307500  1
  Ni  Ni17  1  0.284159  0.018419  0.316397  1
  Ni  Ni18  1  0.362540  0.357757  0.307500  1
  Ni  Ni19  1  0.950362  0.518421  0.316397  1
  Ni  Ni20  1  0.450362  0.518421  0.316397  1
  Ni  Ni21  1  0.032666  0.857757  0.307494  1
  Ni  Ni22  1  0.871719  0.179335  0.324650  1
  Ni  Ni23  1  0.532666  0.857757  0.307494  1
  Ni  Ni24  1  0.371719  0.179335  0.324650  1
  Ni  Ni25  1  0.462640  0.659654  0.350962  1
  Ni  Ni26  1  0.962640  0.659654  0.350962  1
  Ni  Ni27  1  0.543934  0.998919  0.342325  1
  Ni  Ni28  1  0.622081  0.339043  0.333939  1
  Ni  Ni29  1  0.043934  0.998919  0.342325  1
  Ni  Ni30  1  0.122081  0.339043  0.333939  1
  Ni  Ni31  1  0.710090  0.498920  0.342325  1
  Ni  Ni32  1  0.210090  0.498920  0.342325  1
  Ni  Ni33  1  0.791826  0.839047  0.333936  1
  Ni  Ni34  1  0.630649  0.159655  0.350961  1
  Ni  Ni35  1  0.291826  0.839047  0.333936  1
  Ni  Ni36  1  0.130649  0.159655  0.350961  1
  Ni  Ni37  1  0.222341  0.640492  0.377202  1
  Ni  Ni38  1  0.722341  0.640492  0.377202  1
  Ni  Ni39  1  0.303229  0.980252  0.368651  1
  Ni  Ni40  1  0.382396  0.319941  0.359820  1
  Ni  Ni41  1  0.803229  0.980252  0.368651  1
  Ni  Ni42  1  0.882396  0.319941  0.359820  1
  Ni  Ni43  1  0.469467  0.480253  0.368651  1
  Ni  Ni44  1  0.969467  0.480253  0.368651  1
  Ni  Ni45  1  0.550615  0.819942  0.359816  1
  Ni  Ni46  1  0.390117  0.140491  0.377201  1
  Ni  Ni47  1  0.050615  0.819942  0.359816  1
  Ni  Ni48  1  0.890117  0.140491  0.377201  1
  Ni  Ni49  1  0.982197  0.621143  0.403758  1
  Ni  Ni50  1  0.482197  0.621143  0.403758  1
  Ni  Ni51  1  0.062764  0.960876  0.395032  1
  Ni  Ni52  1  0.142324  0.300525  0.386337  1
  Ni  Ni53  1  0.562764  0.960876  0.395032  1
  Ni  Ni54  1  0.642324  0.300525  0.386337  1
  Ni  Ni55  1  0.229313  0.460877  0.395032  1
  Ni  Ni56  1  0.729313  0.460877  0.395032  1
  Ni  Ni57  1  0.310105  0.800526  0.386335  1
  Ni  Ni58  1  0.149614  0.121143  0.403757  1
  Ni  Ni59  1  0.810105  0.800526  0.386335  1
  Ni  Ni60  1  0.649614  0.121143  0.403757  1
  Ni  Ni61  1  0.741884  0.601931  0.430132  1
  Ni  Ni62  1  0.241884  0.601931  0.430132  1
  Ni  Ni63  1  0.822345  0.941612  0.421427  1
  Ni  Ni64  1  0.902057  0.281315  0.412604  1
  Ni  Ni65  1  0.322345  0.941612  0.421427  1
  Ni  Ni66  1  0.402057  0.281315  0.412604  1
  Ni  Ni67  1  0.988999  0.441613  0.421427  1
  Ni  Ni68  1  0.488999  0.441613  0.421427  1
  Ni  Ni69  1  0.069585  0.781317  0.412602  1
  Ni  Ni70  1  0.909142  0.101932  0.430131  1
  Ni  Ni71  1  0.569585  0.781317  0.412602  1
  Ni  Ni72  1  0.409142  0.101932  0.430131  1
  Ni  Ni73  1  0.501571  0.582639  0.456577  1
  Ni  Ni74  1  0.001571  0.582639  0.456577  1
  Ni  Ni75  1  0.581889  0.922364  0.447810  1
  Ni  Ni76  1  0.661765  0.262086  0.439054  1
  Ni  Ni77  1  0.081889  0.922364  0.447810  1
  Ni  Ni78  1  0.161765  0.262086  0.439054  1
  Ni  Ni79  1  0.748708  0.422365  0.447810  1
  Ni  Ni80  1  0.248708  0.422365  0.447810  1
  Ni  Ni81  1  0.829109  0.762087  0.439052  1
  Ni  Ni82  1  0.668752  0.082639  0.456576  1
  Ni  Ni83  1  0.329109  0.762087  0.439052  1
  Ni  Ni84  1  0.168752  0.082639  0.456576  1
  Ni  Ni85  1  0.261189  0.563412  0.482974  1
  Ni  Ni86  1  0.761189  0.563412  0.482974  1
  Ni  Ni87  1  0.341488  0.903133  0.474210  1
  Ni  Ni88  1  0.421431  0.242861  0.465416  1
  Ni  Ni89  1  0.841488  0.903133  0.474210  1
  Ni  Ni90  1  0.921431  0.242861  0.465416  1
  Ni  Ni91  1  0.508344  0.403134  0.474210  1
  Ni  Ni92  1  0.008344  0.403134  0.474210  1
  Ni  Ni93  1  0.588673  0.742862  0.465414  1
  Ni  Ni94  1  0.428365  0.063412  0.482972  1
  Ni  Ni95  1  0.088673  0.742862  0.465414  1
  Ni  Ni96  1  0.928365  0.063412  0.482972  1
  Ni  Ni97  1  0.020808  0.544166  0.509377  1
  Ni  Ni98  1  0.520808  0.544166  0.509377  1
  Ni  Ni99  1  0.101091  0.883894  0.500602  1
  Ni  Ni100  1  0.181080  0.223620  0.491827  1
  Ni  Ni101  1  0.601091  0.883894  0.500602  1
  Ni  Ni102  1  0.681080  0.223620  0.491827  1
  Ni  Ni103  1  0.267984  0.383894  0.500602  1
  Ni  Ni104  1  0.767984  0.383894  0.500602  1
  Ni  Ni105  1  0.348267  0.723621  0.491826  1
  Ni  Ni106  1  0.187995  0.044167  0.509376  1
  Ni  Ni107  1  0.848267  0.723621  0.491826  1
  Ni  Ni108  1  0.687995  0.044167  0.509376  1
  Ni  Ni109  1  0.780403  0.524926  0.535789  1
  Ni  Ni110  1  0.280403  0.524926  0.535789  1
  Ni  Ni111  1  0.860731  0.864654  0.526994  1
  Ni  Ni112  1  0.940710  0.204376  0.518231  1
  Ni  Ni113  1  0.360731  0.864654  0.526994  1
  Ni  Ni114  1  0.440710  0.204376  0.518231  1
  Ni  Ni115  1  0.027588  0.364654  0.526993  1
  Ni  Ni116  1  0.527588  0.364654  0.526993  1
  Ni  Ni117  1  0.107886  0.704376  0.518230  1
  Ni  Ni118  1  0.947645  0.024927  0.535788  1
  Ni  Ni119  1  0.607886  0.704376  0.518230  1
  Ni  Ni120  1  0.447645  0.024927  0.535788  1
  Ni  Ni121  1  0.539966  0.505701  0.562151  1
  Ni  Ni122  1  0.039966  0.505701  0.562151  1
  Ni  Ni123  1  0.620367  0.845423  0.553394  1
  Ni  Ni124  1  0.700323  0.185149  0.544628  1
  Ni  Ni125  1  0.120367  0.845423  0.553394  1
  Ni  Ni126  1  0.200323  0.185149  0.544628  1
  Ni  Ni127  1  0.787186  0.345424  0.553394  1
  Ni  Ni128  1  0.287186  0.345424  0.553394  1
  Ni  Ni129  1  0.867504  0.685149  0.544627  1
  Ni  Ni130  1  0.707310  0.005702  0.562150  1
  Ni  Ni131  1  0.367504  0.685149  0.544627  1
  Ni  Ni132  1  0.207310  0.005702  0.562150  1
  Ni  Ni133  1  0.299491  0.486471  0.588601  1
  Ni  Ni134  1  0.799491  0.486471  0.588601  1
  Ni  Ni135  1  0.380076  0.826175  0.579777  1
  Ni  Ni136  1  0.459933  0.165856  0.571072  1
  Ni  Ni137  1  0.880076  0.826175  0.579777  1
  Ni  Ni138  1  0.959933  0.165856  0.571072  1
  Ni  Ni139  1  0.546730  0.326175  0.579777  1
  Ni  Ni140  1  0.046730  0.326175  0.579777  1
  Ni  Ni141  1  0.627191  0.665856  0.571071  1
  Ni  Ni142  1  0.467019  0.986472  0.588599  1
  Ni  Ni143  1  0.127191  0.665856  0.571071  1
  Ni  Ni144  1  0.967019  0.986472  0.588599  1
  Ni  Ni145  1  0.058971  0.467262  0.614868  1
  Ni  Ni146  1  0.558971  0.467262  0.614868  1
  Ni  Ni147  1  0.139762  0.806911  0.606172  1
  Ni  Ni148  1  0.219461  0.146645  0.597447  1
  Ni  Ni149  1  0.639762  0.806911  0.606172  1
  Ni  Ni150  1  0.719461  0.146645  0.597447  1
  Ni  Ni151  1  0.306312  0.306911  0.606172  1
  Ni  Ni152  1  0.806312  0.306911  0.606172  1
  Ni  Ni153  1  0.386878  0.646645  0.597446  1
  Ni  Ni154  1  0.226751  0.967263  0.614866  1
  Ni  Ni155  1  0.886878  0.646645  0.597446  1
  Ni  Ni156  1  0.726751  0.967263  0.614866  1
  Ni  Ni157  1  0.818460  0.447846  0.641387  1
  Ni  Ni158  1  0.318460  0.447846  0.641387  1
  Ni  Ni159  1  0.899608  0.787535  0.632553  1
  Ni  Ni160  1  0.978959  0.127296  0.624002  1
  Ni  Ni161  1  0.399608  0.787535  0.632553  1
  Ni  Ni162  1  0.478959  0.127296  0.624002  1
  Ni  Ni163  1  0.065846  0.287535  0.632553  1
  Ni  Ni164  1  0.565846  0.287535  0.632553  1
  Ni  Ni165  1  0.146734  0.627296  0.624002  1
  Ni  Ni166  1  0.986679  0.947847  0.641384  1
  Ni  Ni167  1  0.646734  0.627296  0.624002  1
  Ni  Ni168  1  0.486679  0.947847  0.641384  1
  Ni  Ni169  1  0.577249  0.428741  0.667267  1
  Ni  Ni170  1  0.077249  0.428741  0.667267  1
  Ni  Ni171  1  0.658985  0.768868  0.658878  1
  Ni  Ni172  1  0.738426  0.108133  0.650242  1
  Ni  Ni173  1  0.158985  0.768868  0.658878  1
  Ni  Ni174  1  0.238426  0.108133  0.650242  1
  Ni  Ni175  1  0.825141  0.268869  0.658879  1
  Ni  Ni176  1  0.325141  0.268869  0.658879  1
  Ni  Ni177  1  0.906435  0.608134  0.650242  1
  Ni  Ni178  1  0.746994  0.928744  0.667265  1
  Ni  Ni179  1  0.406435  0.608134  0.650242  1
  Ni  Ni180  1  0.246994  0.928744  0.667265  1
  Ni  Ni181  1  0.336409  0.410031  0.693709  1
  Ni  Ni182  1  0.836409  0.410031  0.693709  1
  Ni  Ni183  1  0.418714  0.749367  0.684807  1
  Ni  Ni184  1  0.497356  0.088452  0.676553  1
  Ni  Ni185  1  0.918714  0.749367  0.684807  1
  Ni  Ni186  1  0.997356  0.088452  0.676553  1
  Ni  Ni187  1  0.584916  0.249369  0.684806  1
  Ni  Ni188  1  0.084916  0.249369  0.684806  1
  Ni  Ni189  1  0.667189  0.588459  0.676554  1
  Ni  Ni190  1  0.506536  0.910030  0.693703  1
  Ni  Ni191  1  0.167189  0.588459  0.676554  1
  Ni  Ni192  1  0.006536  0.910030  0.693703  1
  Ni  Ni193  1  0.098165  0.386488  0.718119  1
  Ni  Ni194  1  0.598165  0.386488  0.718119  1
  Ni  Ni195  1  0.178521  0.730519  0.710134  1
  Ni  Ni196  1  0.255940  0.069315  0.702225  1
  Ni  Ni197  1  0.678521  0.730519  0.710134  1
  Ni  Ni198  1  0.755940  0.069315  0.702225  1
  Ni  Ni199  1  0.343990  0.230497  0.710133  1
  Ni  Ni200  1  0.843990  0.230497  0.710133  1
  Ni  Ni201  1  0.427752  0.569306  0.702223  1
  Ni  Ni202  1  0.268314  0.886509  0.718115  1
  Ni  Ni203  1  0.927752  0.569306  0.702223  1
  Ni  Ni204  1  0.768314  0.886509  0.718115  1
