# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55051152
_cell_length_b   13.21022665
_cell_length_c   46.38729551
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.89105445
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   4957.41126321
_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  0.640600  0.696068  0.295858  1
  Ni  Ni2  1  0.140600  0.696068  0.295858  1
  Ni  Ni3  1  0.058715  0.037739  0.287757  1
  Ni  Ni4  1  0.485999  0.377683  0.280057  1
  Ni  Ni5  1  0.558715  0.037739  0.287757  1
  Ni  Ni6  1  0.985999  0.377683  0.280057  1
  Ni  Ni7  1  0.734570  0.537757  0.287756  1
  Ni  Ni8  1  0.234570  0.537757  0.287756  1
  Ni  Ni9  1  0.147172  0.877660  0.280059  1
  Ni  Ni10  1  0.310988  0.196077  0.295860  1
  Ni  Ni11  1  0.647172  0.877660  0.280059  1
  Ni  Ni12  1  0.810988  0.196077  0.295860  1
  Ni  Ni13  1  0.383289  0.678081  0.322400  1
  Ni  Ni14  1  0.883289  0.678081  0.322400  1
  Ni  Ni15  1  0.801987  0.017539  0.314066  1
  Ni  Ni16  1  0.224394  0.356143  0.305184  1
  Ni  Ni17  1  0.301987  0.017539  0.314066  1
  Ni  Ni18  1  0.724394  0.356143  0.305184  1
  Ni  Ni19  1  0.471071  0.517541  0.314066  1
  Ni  Ni20  1  0.971071  0.517541  0.314066  1
  Ni  Ni21  1  0.887248  0.856143  0.305189  1
  Ni  Ni22  1  0.050305  0.178076  0.322400  1
  Ni  Ni23  1  0.387248  0.856143  0.305189  1
  Ni  Ni24  1  0.550305  0.178076  0.322400  1
  Ni  Ni25  1  0.123655  0.658198  0.348989  1
  Ni  Ni26  1  0.623655  0.658198  0.348989  1
  Ni  Ni27  1  0.542429  0.997645  0.340342  1
  Ni  Ni28  1  0.964366  0.337149  0.331993  1
  Ni  Ni29  1  0.042429  0.997645  0.340342  1
  Ni  Ni30  1  0.464366  0.337149  0.331993  1
  Ni  Ni31  1  0.210730  0.497645  0.340341  1
  Ni  Ni32  1  0.710730  0.497645  0.340341  1
  Ni  Ni33  1  0.628290  0.837148  0.331995  1
  Ni  Ni34  1  0.790055  0.158197  0.348990  1
  Ni  Ni35  1  0.128290  0.837148  0.331995  1
  Ni  Ni36  1  0.290055  0.158197  0.348990  1
  Ni  Ni37  1  0.863628  0.638937  0.375178  1
  Ni  Ni38  1  0.363628  0.638937  0.375178  1
  Ni  Ni39  1  0.282779  0.978740  0.366573  1
  Ni  Ni40  1  0.704312  0.318419  0.357913  1
  Ni  Ni41  1  0.782779  0.978740  0.366573  1
  Ni  Ni42  1  0.204312  0.318419  0.357913  1
  Ni  Ni43  1  0.951473  0.478740  0.366573  1
  Ni  Ni44  1  0.451473  0.478740  0.366573  1
  Ni  Ni45  1  0.369615  0.818418  0.357916  1
  Ni  Ni46  1  0.530819  0.138937  0.375179  1
  Ni  Ni47  1  0.869615  0.818418  0.357916  1
  Ni  Ni48  1  0.030819  0.138937  0.375179  1
  Ni  Ni49  1  0.603696  0.619423  0.401652  1
  Ni  Ni50  1  0.103696  0.619423  0.401652  1
  Ni  Ni51  1  0.023031  0.959282  0.392924  1
  Ni  Ni52  1  0.443868  0.298918  0.384284  1
  Ni  Ni53  1  0.523031  0.959282  0.392924  1
  Ni  Ni54  1  0.943868  0.298918  0.384284  1
  Ni  Ni55  1  0.691760  0.459281  0.392923  1
  Ni  Ni56  1  0.191760  0.459281  0.392923  1
  Ni  Ni57  1  0.110557  0.798917  0.384285  1
  Ni  Ni58  1  0.271235  0.119423  0.401653  1
  Ni  Ni59  1  0.610557  0.798917  0.384285  1
  Ni  Ni60  1  0.771235  0.119423  0.401653  1
  Ni  Ni61  1  0.343967  0.600089  0.427974  1
  Ni  Ni62  1  0.843967  0.600089  0.427974  1
  Ni  Ni63  1  0.763422  0.939859  0.419255  1
  Ni  Ni64  1  0.183821  0.279535  0.410516  1
  Ni  Ni65  1  0.263422  0.939859  0.419255  1
  Ni  Ni66  1  0.683821  0.279535  0.410516  1
  Ni  Ni67  1  0.431943  0.439858  0.419255  1
  Ni  Ni68  1  0.931943  0.439858  0.419255  1
  Ni  Ni69  1  0.851219  0.779534  0.410518  1
  Ni  Ni70  1  0.011627  0.100089  0.427975  1
  Ni  Ni71  1  0.351219  0.779534  0.410518  1
  Ni  Ni72  1  0.511627  0.100089  0.427975  1
  Ni  Ni73  1  0.084212  0.580678  0.454344  1
  Ni  Ni74  1  0.584212  0.580678  0.454344  1
  Ni  Ni75  1  0.503773  0.920472  0.445586  1
  Ni  Ni76  1  0.924003  0.260212  0.436861  1
  Ni  Ni77  1  1.003773  0.920472  0.445586  1
  Ni  Ni78  1  0.424003  0.260212  0.436861  1
  Ni  Ni79  1  0.172202  0.420471  0.445586  1
  Ni  Ni80  1  0.672202  0.420471  0.445586  1
  Ni  Ni81  1  0.591712  0.760211  0.436863  1
  Ni  Ni82  1  0.751969  0.080678  0.454345  1
  Ni  Ni83  1  0.091712  0.760211  0.436863  1
  Ni  Ni84  1  0.251969  0.080678  0.454345  1
  Ni  Ni85  1  0.824493  0.561313  0.480682  1
  Ni  Ni86  1  0.324493  0.561313  0.480682  1
  Ni  Ni87  1  0.244131  0.901093  0.471929  1
  Ni  Ni88  1  0.664261  0.240847  0.463172  1
  Ni  Ni89  1  0.744131  0.901093  0.471929  1
  Ni  Ni90  1  0.164261  0.240847  0.463172  1
  Ni  Ni91  1  0.912462  0.401093  0.471929  1
  Ni  Ni92  1  0.412462  0.401093  0.471929  1
  Ni  Ni93  1  0.332087  0.740846  0.463173  1
  Ni  Ni94  1  0.492319  0.061312  0.480683  1
  Ni  Ni95  1  0.832087  0.740846  0.463173  1
  Ni  Ni96  1  0.992319  0.061312  0.480683  1
  Ni  Ni97  1  0.564793  0.541940  0.507021  1
  Ni  Ni98  1  0.064793  0.541940  0.507021  1
  Ni  Ni99  1  0.984451  0.881711  0.498266  1
  Ni  Ni100  1  0.404565  0.221483  0.489509  1
  Ni  Ni101  1  0.484451  0.881711  0.498266  1
  Ni  Ni102  1  0.904565  0.221483  0.489509  1
  Ni  Ni103  1  0.652759  0.381711  0.498265  1
  Ni  Ni104  1  0.152759  0.381711  0.498265  1
  Ni  Ni105  1  0.072416  0.721482  0.489510  1
  Ni  Ni106  1  0.232644  0.041940  0.507022  1
  Ni  Ni107  1  0.572416  0.721482  0.489510  1
  Ni  Ni108  1  0.732644  0.041940  0.507022  1
  Ni  Ni109  1  0.305122  0.522576  0.533358  1
  Ni  Ni110  1  0.805122  0.522576  0.533358  1
  Ni  Ni111  1  0.724747  0.862330  0.524602  1
  Ni  Ni112  1  0.144890  0.202110  0.515848  1
  Ni  Ni113  1  0.224747  0.862330  0.524602  1
  Ni  Ni114  1  0.644890  0.202110  0.515848  1
  Ni  Ni115  1  0.393078  0.362329  0.524602  1
  Ni  Ni116  1  0.893078  0.362329  0.524602  1
  Ni  Ni117  1  0.812716  0.702110  0.515849  1
  Ni  Ni118  1  0.972948  0.022575  0.533359  1
  Ni  Ni119  1  0.312716  0.702110  0.515849  1
  Ni  Ni120  1  0.472948  0.022575  0.533359  1
  Ni  Ni121  1  0.045498  0.503212  0.559668  1
  Ni  Ni122  1  0.545498  0.503212  0.559668  1
  Ni  Ni123  1  0.465008  0.842951  0.550945  1
  Ni  Ni124  1  0.885240  0.182744  0.542186  1
  Ni  Ni125  1  0.965008  0.842951  0.550945  1
  Ni  Ni126  1  0.385240  0.182744  0.542186  1
  Ni  Ni127  1  0.133436  0.342951  0.550945  1
  Ni  Ni128  1  0.633436  0.342951  0.550945  1
  Ni  Ni129  1  0.552997  0.682744  0.542187  1
  Ni  Ni130  1  0.713206  0.003211  0.559670  1
  Ni  Ni131  1  0.052997  0.682744  0.542187  1
  Ni  Ni132  1  0.213206  0.003211  0.559670  1
  Ni  Ni133  1  0.785991  0.483889  0.586013  1
  Ni  Ni134  1  0.285991  0.483889  0.586013  1
  Ni  Ni135  1  0.205266  0.823564  0.577276  1
  Ni  Ni136  1  0.625582  0.163333  0.568556  1
  Ni  Ni137  1  0.705266  0.823564  0.577276  1
  Ni  Ni138  1  0.125582  0.163333  0.568556  1
  Ni  Ni139  1  0.873788  0.323564  0.577276  1
  Ni  Ni140  1  0.373788  0.323564  0.577276  1
  Ni  Ni141  1  0.293242  0.663333  0.568557  1
  Ni  Ni142  1  0.453388  0.983888  0.586015  1
  Ni  Ni143  1  0.793242  0.663333  0.568557  1
  Ni  Ni144  1  0.953388  0.983888  0.586015  1
  Ni  Ni145  1  0.526652  0.464505  0.612246  1
  Ni  Ni146  1  0.026652  0.464505  0.612246  1
  Ni  Ni147  1  0.945449  0.804141  0.603607  1
  Ni  Ni148  1  0.365974  0.144000  0.594878  1
  Ni  Ni149  1  0.445449  0.804141  0.603607  1
  Ni  Ni150  1  0.865974  0.144000  0.594878  1
  Ni  Ni151  1  0.614179  0.304141  0.603607  1
  Ni  Ni152  1  0.114179  0.304141  0.603607  1
  Ni  Ni153  1  0.033514  0.643999  0.594879  1
  Ni  Ni154  1  0.193342  0.964504  0.612247  1
  Ni  Ni155  1  0.533514  0.643999  0.594879  1
  Ni  Ni156  1  0.693342  0.964504  0.612247  1
  Ni  Ni157  1  0.267594  0.445004  0.638615  1
  Ni  Ni158  1  0.767594  0.445004  0.638615  1
  Ni  Ni159  1  0.685737  0.784683  0.629958  1
  Ni  Ni160  1  0.106390  0.124485  0.621352  1
  Ni  Ni161  1  0.185737  0.784683  0.629958  1
  Ni  Ni162  1  0.606390  0.124485  0.621352  1
  Ni  Ni163  1  0.354431  0.284683  0.629958  1
  Ni  Ni164  1  0.854431  0.284683  0.629958  1
  Ni  Ni165  1  0.773581  0.624486  0.621353  1
  Ni  Ni166  1  0.932898  0.945004  0.638618  1
  Ni  Ni167  1  0.273581  0.624486  0.621353  1
  Ni  Ni168  1  0.432898  0.945004  0.638618  1
  Ni  Ni169  1  0.008919  0.426275  0.664536  1
  Ni  Ni170  1  0.508919  0.426275  0.664536  1
  Ni  Ni171  1  0.426479  0.765778  0.656190  1
  Ni  Ni172  1  0.847154  0.105226  0.647541  1
  Ni  Ni173  1  0.926479  0.765778  0.656190  1
  Ni  Ni174  1  0.347154  0.105226  0.647541  1
  Ni  Ni175  1  0.094780  0.265778  0.656189  1
  Ni  Ni176  1  0.594780  0.265778  0.656189  1
  Ni  Ni177  1  0.513554  0.605224  0.647542  1
  Ni  Ni178  1  0.672843  0.926273  0.664538  1
  Ni  Ni179  1  0.013554  0.605224  0.647542  1
  Ni  Ni180  1  0.172843  0.926273  0.664538  1
  Ni  Ni181  1  0.749962  0.407280  0.691342  1
  Ni  Ni182  1  0.249962  0.407280  0.691342  1
  Ni  Ni183  1  0.166138  0.745882  0.682464  1
  Ni  Ni184  1  0.586904  0.085346  0.674131  1
  Ni  Ni185  1  0.666138  0.745882  0.682464  1
  Ni  Ni186  1  0.086904  0.085346  0.674131  1
  Ni  Ni187  1  0.835222  0.245883  0.682465  1
  Ni  Ni188  1  0.335222  0.245883  0.682465  1
  Ni  Ni189  1  0.253920  0.585342  0.674131  1
  Ni  Ni190  1  0.412815  0.907279  0.691347  1
  Ni  Ni191  1  0.753920  0.585342  0.674131  1
  Ni  Ni192  1  0.912815  0.907279  0.691347  1
  Ni  Ni193  1  0.490038  0.385762  0.716472  1
  Ni  Ni194  1  0.990038  0.385762  0.716472  1
  Ni  Ni195  1  0.902640  0.725665  0.708775  1
  Ni  Ni196  1  0.326221  0.067346  0.700671  1
  Ni  Ni197  1  0.402640  0.725665  0.708775  1
  Ni  Ni198  1  0.826221  0.067346  0.700671  1
  Ni  Ni199  1  0.578495  0.225683  0.708774  1
  Ni  Ni200  1  0.078495  0.225683  0.708774  1
  Ni  Ni201  1  0.996610  0.567355  0.700673  1
  Ni  Ni202  1  0.151210  0.885740  0.716474  1
  Ni  Ni203  1  0.496610  0.567355  0.700673  1
  Ni  Ni204  1  0.651210  0.885740  0.716474  1
