# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.12908870
_cell_length_b   13.34557060
_cell_length_c   45.41629578
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   94.03308523
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni324
_cell_volume   7937.91821272
_cell_formula_units_Z   324
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  0.247331  0.674878  0.305788  1
  Ni  Ni2  1  0.257395  0.318048  0.322303  1
  Ni  Ni3  1  0.404106  0.363610  0.289944  1
  Ni  Ni4  1  0.580664  0.341545  0.305788  1
  Ni  Ni5  1  0.237439  0.030277  0.289944  1
  Ni  Ni6  1  0.413997  0.008212  0.305788  1
  Ni  Ni7  1  0.424062  0.651381  0.322303  1
  Ni  Ni8  1  0.570772  0.696943  0.289944  1
  Ni  Ni9  1  0.747331  0.674878  0.305788  1
  Ni  Ni10  1  0.757395  0.318048  0.322303  1
  Ni  Ni11  1  0.904106  0.363610  0.289944  1
  Ni  Ni12  1  0.080664  0.341545  0.305788  1
  Ni  Ni13  1  0.590729  0.984714  0.322303  1
  Ni  Ni14  1  0.737439  0.030277  0.289944  1
  Ni  Ni15  1  0.913997  0.008212  0.305788  1
  Ni  Ni16  1  0.924062  0.651381  0.322303  1
  Ni  Ni17  1  0.070772  0.696943  0.289944  1
  Ni  Ni18  1  0.090729  0.984714  0.322303  1
  Ni  Ni19  1  0.294650  0.856669  0.295852  1
  Ni  Ni20  1  0.305218  0.499133  0.311500  1
  Ni  Ni21  1  0.454999  0.543796  0.280219  1
  Ni  Ni22  1  0.627983  0.523336  0.295852  1
  Ni  Ni23  1  0.288332  0.210462  0.280219  1
  Ni  Ni24  1  0.461316  0.190003  0.295852  1
  Ni  Ni25  1  0.471885  0.832467  0.311500  1
  Ni  Ni26  1  0.621665  0.877129  0.280219  1
  Ni  Ni27  1  0.794650  0.856669  0.295852  1
  Ni  Ni28  1  0.805218  0.499133  0.311500  1
  Ni  Ni29  1  0.954999  0.543796  0.280219  1
  Ni  Ni30  1  0.127983  0.523336  0.295852  1
  Ni  Ni31  1  0.638552  0.165800  0.311500  1
  Ni  Ni32  1  0.788332  0.210462  0.280219  1
  Ni  Ni33  1  0.961316  0.190003  0.295852  1
  Ni  Ni34  1  0.971885  0.832467  0.311500  1
  Ni  Ni35  1  0.121665  0.877129  0.280219  1
  Ni  Ni36  1  0.138552  0.165800  0.311500  1
  Ni  Ni37  1  0.277175  0.606664  0.355373  1
  Ni  Ni38  1  0.287523  0.251376  0.372221  1
  Ni  Ni39  1  0.434223  0.295798  0.338921  1
  Ni  Ni40  1  0.610509  0.273330  0.355373  1
  Ni  Ni41  1  0.267557  0.962465  0.338921  1
  Ni  Ni42  1  0.443842  0.939997  0.355373  1
  Ni  Ni43  1  0.454190  0.584709  0.372221  1
  Ni  Ni44  1  0.600890  0.629132  0.338921  1
  Ni  Ni45  1  0.777175  0.606664  0.355373  1
  Ni  Ni46  1  0.787523  0.251376  0.372221  1
  Ni  Ni47  1  0.934223  0.295798  0.338921  1
  Ni  Ni48  1  0.110509  0.273330  0.355373  1
  Ni  Ni49  1  0.620856  0.918042  0.372221  1
  Ni  Ni50  1  0.767557  0.962465  0.338921  1
  Ni  Ni51  1  0.943842  0.939997  0.355373  1
  Ni  Ni52  1  0.954190  0.584709  0.372221  1
  Ni  Ni53  1  0.100890  0.629132  0.338921  1
  Ni  Ni54  1  0.120856  0.918042  0.372221  1
  Ni  Ni55  1  0.325566  0.788019  0.344863  1
  Ni  Ni56  1  0.335953  0.432615  0.361203  1
  Ni  Ni57  1  0.482494  0.476865  0.328438  1
  Ni  Ni58  1  0.658899  0.454685  0.344863  1
  Ni  Ni59  1  0.315828  0.143532  0.328438  1
  Ni  Ni60  1  0.492232  0.121352  0.344863  1
  Ni  Ni61  1  0.502620  0.765948  0.361203  1
  Ni  Ni62  1  0.649161  0.810199  0.328438  1
  Ni  Ni63  1  0.825566  0.788019  0.344863  1
  Ni  Ni64  1  0.835953  0.432615  0.361203  1
  Ni  Ni65  1  0.982494  0.476865  0.328438  1
  Ni  Ni66  1  0.158899  0.454685  0.344863  1
  Ni  Ni67  1  0.669287  0.099281  0.361203  1
  Ni  Ni68  1  0.815828  0.143532  0.328438  1
  Ni  Ni69  1  0.992232  0.121352  0.344863  1
  Ni  Ni70  1  0.002620  0.765948  0.361203  1
  Ni  Ni71  1  0.149161  0.810199  0.328438  1
  Ni  Ni72  1  0.169287  0.099281  0.361203  1
  Ni  Ni73  1  0.307986  0.539730  0.405670  1
  Ni  Ni74  1  0.318240  0.184113  0.422463  1
  Ni  Ni75  1  0.464406  0.228747  0.389064  1
  Ni  Ni76  1  0.641319  0.206397  0.405670  1
  Ni  Ni77  1  0.297739  0.895413  0.389064  1
  Ni  Ni78  1  0.474652  0.873064  0.405670  1
  Ni  Ni79  1  0.484907  0.517447  0.422463  1
  Ni  Ni80  1  0.631072  0.562080  0.389064  1
  Ni  Ni81  1  0.807986  0.539730  0.405670  1
  Ni  Ni82  1  0.818240  0.184113  0.422463  1
  Ni  Ni83  1  0.964406  0.228747  0.389064  1
  Ni  Ni84  1  0.141319  0.206397  0.405670  1
  Ni  Ni85  1  0.651573  0.850780  0.422463  1
  Ni  Ni86  1  0.797739  0.895413  0.389064  1
  Ni  Ni87  1  0.974652  0.873064  0.405670  1
  Ni  Ni88  1  0.984907  0.517447  0.422463  1
  Ni  Ni89  1  0.131072  0.562080  0.389064  1
  Ni  Ni90  1  0.151573  0.850780  0.422463  1
  Ni  Ni91  1  0.356481  0.720989  0.394716  1
  Ni  Ni92  1  0.366698  0.365548  0.411399  1
  Ni  Ni93  1  0.512871  0.409966  0.378143  1
  Ni  Ni94  1  0.689815  0.387655  0.394716  1
  Ni  Ni95  1  0.346204  0.076632  0.378143  1
  Ni  Ni96  1  0.523148  0.054322  0.394716  1
  Ni  Ni97  1  0.533365  0.698882  0.411399  1
  Ni  Ni98  1  0.679538  0.743299  0.378143  1
  Ni  Ni99  1  0.856481  0.720989  0.394716  1
  Ni  Ni100  1  0.866698  0.365548  0.411399  1
  Ni  Ni101  1  0.012871  0.409966  0.378143  1
  Ni  Ni102  1  0.189815  0.387655  0.394716  1
  Ni  Ni103  1  0.700032  0.032215  0.411399  1
  Ni  Ni104  1  0.846204  0.076632  0.378143  1
  Ni  Ni105  1  0.023148  0.054322  0.394716  1
  Ni  Ni106  1  0.033365  0.698882  0.411399  1
  Ni  Ni107  1  0.179538  0.743299  0.378143  1
  Ni  Ni108  1  0.200032  0.032215  0.411399  1
  Ni  Ni109  1  0.338821  0.472728  0.455902  1
  Ni  Ni110  1  0.349129  0.117082  0.472635  1
  Ni  Ni111  1  0.495244  0.161680  0.439199  1
  Ni  Ni112  1  0.672154  0.139395  0.455902  1
  Ni  Ni113  1  0.328577  0.828346  0.439199  1
  Ni  Ni114  1  0.505487  0.806062  0.455902  1
  Ni  Ni115  1  0.515796  0.450415  0.472635  1
  Ni  Ni116  1  0.661911  0.495013  0.439199  1
  Ni  Ni117  1  0.838821  0.472728  0.455902  1
  Ni  Ni118  1  0.849129  0.117082  0.472635  1
  Ni  Ni119  1  0.995244  0.161680  0.439199  1
  Ni  Ni120  1  0.172154  0.139395  0.455902  1
  Ni  Ni121  1  0.682463  0.783748  0.472635  1
  Ni  Ni122  1  0.828577  0.828346  0.439199  1
  Ni  Ni123  1  0.005487  0.806062  0.455902  1
  Ni  Ni124  1  0.015796  0.450415  0.472635  1
  Ni  Ni125  1  0.161911  0.495013  0.439199  1
  Ni  Ni126  1  0.182463  0.783748  0.472635  1
  Ni  Ni127  1  0.387325  0.654130  0.444848  1
  Ni  Ni128  1  0.397624  0.298536  0.461550  1
  Ni  Ni129  1  0.543740  0.343118  0.428174  1
  Ni  Ni130  1  0.720658  0.320797  0.444848  1
  Ni  Ni131  1  0.377073  0.009784  0.428174  1
  Ni  Ni132  1  0.553991  0.987464  0.444848  1
  Ni  Ni133  1  0.564290  0.631870  0.461550  1
  Ni  Ni134  1  0.710407  0.676451  0.428174  1
  Ni  Ni135  1  0.887325  0.654130  0.444848  1
  Ni  Ni136  1  0.897624  0.298536  0.461550  1
  Ni  Ni137  1  0.043740  0.343118  0.428174  1
  Ni  Ni138  1  0.220658  0.320797  0.444848  1
  Ni  Ni139  1  0.730957  0.965203  0.461550  1
  Ni  Ni140  1  0.877073  0.009784  0.428174  1
  Ni  Ni141  1  0.053991  0.987464  0.444848  1
  Ni  Ni142  1  0.064290  0.631870  0.461550  1
  Ni  Ni143  1  0.210407  0.676451  0.428174  1
  Ni  Ni144  1  0.230957  0.965203  0.461550  1
  Ni  Ni145  1  0.369721  0.405744  0.506073  1
  Ni  Ni146  1  0.380019  0.050101  0.522783  1
  Ni  Ni147  1  0.526096  0.094708  0.489364  1
  Ni  Ni148  1  0.703055  0.072411  0.506073  1
  Ni  Ni149  1  0.359430  0.761375  0.489364  1
  Ni  Ni150  1  0.536388  0.739077  0.506073  1
  Ni  Ni151  1  0.546686  0.383435  0.522783  1
  Ni  Ni152  1  0.692763  0.428041  0.489364  1
  Ni  Ni153  1  0.869721  0.405744  0.506073  1
  Ni  Ni154  1  0.880019  0.050101  0.522783  1
  Ni  Ni155  1  0.026096  0.094708  0.489364  1
  Ni  Ni156  1  0.203055  0.072411  0.506073  1
  Ni  Ni157  1  0.713353  0.716768  0.522783  1
  Ni  Ni158  1  0.859430  0.761375  0.489364  1
  Ni  Ni159  1  0.036388  0.739077  0.506073  1
  Ni  Ni160  1  0.046686  0.383435  0.522783  1
  Ni  Ni161  1  0.192763  0.428041  0.489364  1
  Ni  Ni162  1  0.213353  0.716768  0.522783  1
  Ni  Ni163  1  0.418223  0.587193  0.494999  1
  Ni  Ni164  1  0.428515  0.231563  0.511709  1
  Ni  Ni165  1  0.574592  0.276169  0.478289  1
  Ni  Ni166  1  0.751556  0.253860  0.494999  1
  Ni  Ni167  1  0.407925  0.942836  0.478289  1
  Ni  Ni168  1  0.584890  0.920527  0.494999  1
  Ni  Ni169  1  0.595181  0.564896  0.511709  1
  Ni  Ni170  1  0.741258  0.609503  0.478289  1
  Ni  Ni171  1  0.918223  0.587193  0.494999  1
  Ni  Ni172  1  0.928515  0.231563  0.511709  1
  Ni  Ni173  1  0.074592  0.276169  0.478289  1
  Ni  Ni174  1  0.251556  0.253860  0.494999  1
  Ni  Ni175  1  0.761848  0.898229  0.511709  1
  Ni  Ni176  1  0.907925  0.942836  0.478289  1
  Ni  Ni177  1  0.084890  0.920527  0.494999  1
  Ni  Ni178  1  0.095181  0.564896  0.511709  1
  Ni  Ni179  1  0.241258  0.609503  0.478289  1
  Ni  Ni180  1  0.261848  0.898229  0.511709  1
  Ni  Ni181  1  0.400620  0.338807  0.556225  1
  Ni  Ni182  1  0.410871  0.983153  0.572898  1
  Ni  Ni183  1  0.556987  0.027734  0.539522  1
  Ni  Ni184  1  0.733953  0.005474  0.556225  1
  Ni  Ni185  1  0.390321  0.694401  0.539522  1
  Ni  Ni186  1  0.567286  0.672140  0.556225  1
  Ni  Ni187  1  0.577538  0.316486  0.572898  1
  Ni  Ni188  1  0.723654  0.361068  0.539522  1
  Ni  Ni189  1  0.900620  0.338807  0.556225  1
  Ni  Ni190  1  0.910871  0.983153  0.572898  1
  Ni  Ni191  1  0.056987  0.027734  0.539522  1
  Ni  Ni192  1  0.233953  0.005474  0.556225  1
  Ni  Ni193  1  0.744204  0.649820  0.572898  1
  Ni  Ni194  1  0.890321  0.694401  0.539522  1
  Ni  Ni195  1  0.067286  0.672140  0.556225  1
  Ni  Ni196  1  0.077538  0.316486  0.572898  1
  Ni  Ni197  1  0.223654  0.361068  0.539522  1
  Ni  Ni198  1  0.244204  0.649820  0.572898  1
  Ni  Ni199  1  0.449124  0.520209  0.545171  1
  Ni  Ni200  1  0.459367  0.164591  0.561874  1
  Ni  Ni201  1  0.605482  0.209189  0.528437  1
  Ni  Ni202  1  0.782457  0.186876  0.545171  1
  Ni  Ni203  1  0.438815  0.875856  0.528437  1
  Ni  Ni204  1  0.615790  0.853542  0.545171  1
  Ni  Ni205  1  0.626034  0.497925  0.561874  1
  Ni  Ni206  1  0.772148  0.542522  0.528437  1
  Ni  Ni207  1  0.949124  0.520209  0.545171  1
  Ni  Ni208  1  0.959367  0.164591  0.561874  1
  Ni  Ni209  1  0.105482  0.209189  0.528437  1
  Ni  Ni210  1  0.282457  0.186876  0.545171  1
  Ni  Ni211  1  0.792701  0.831258  0.561874  1
  Ni  Ni212  1  0.938815  0.875856  0.528437  1
  Ni  Ni213  1  0.115790  0.853542  0.545171  1
  Ni  Ni214  1  0.126034  0.497925  0.561874  1
  Ni  Ni215  1  0.272148  0.542522  0.528437  1
  Ni  Ni216  1  0.292701  0.831258  0.561874  1
  Ni  Ni217  1  0.431463  0.271949  0.606357  1
  Ni  Ni218  1  0.441740  0.916305  0.622930  1
  Ni  Ni219  1  0.587913  0.960722  0.589673  1
  Ni  Ni220  1  0.764796  0.938615  0.606357  1
  Ni  Ni221  1  0.421246  0.627389  0.589673  1
  Ni  Ni222  1  0.598130  0.605282  0.606357  1
  Ni  Ni223  1  0.608407  0.249638  0.622930  1
  Ni  Ni224  1  0.754579  0.294056  0.589673  1
  Ni  Ni225  1  0.931463  0.271949  0.606357  1
  Ni  Ni226  1  0.941740  0.916305  0.622930  1
  Ni  Ni227  1  0.087913  0.960722  0.589673  1
  Ni  Ni228  1  0.264796  0.938615  0.606357  1
  Ni  Ni229  1  0.775073  0.582972  0.622930  1
  Ni  Ni230  1  0.921246  0.627389  0.589673  1
  Ni  Ni231  1  0.098130  0.605282  0.606357  1
  Ni  Ni232  1  0.108407  0.249638  0.622930  1
  Ni  Ni233  1  0.254579  0.294056  0.589673  1
  Ni  Ni234  1  0.275073  0.582972  0.622930  1
  Ni  Ni235  1  0.479959  0.453207  0.595402  1
  Ni  Ni236  1  0.490205  0.097524  0.612008  1
  Ni  Ni237  1  0.636371  0.142157  0.578610  1
  Ni  Ni238  1  0.813292  0.119874  0.595402  1
  Ni  Ni239  1  0.469704  0.808824  0.578610  1
  Ni  Ni240  1  0.646625  0.786540  0.595402  1
  Ni  Ni241  1  0.656872  0.430857  0.612008  1
  Ni  Ni242  1  0.803038  0.475491  0.578610  1
  Ni  Ni243  1  0.979959  0.453207  0.595402  1
  Ni  Ni244  1  0.990205  0.097524  0.612008  1
  Ni  Ni245  1  0.136371  0.142157  0.578610  1
  Ni  Ni246  1  0.313292  0.119874  0.595402  1
  Ni  Ni247  1  0.823539  0.764191  0.612008  1
  Ni  Ni248  1  0.969704  0.808824  0.578610  1
  Ni  Ni249  1  0.146625  0.786540  0.595402  1
  Ni  Ni250  1  0.156872  0.430857  0.612008  1
  Ni  Ni251  1  0.303038  0.475491  0.578610  1
  Ni  Ni252  1  0.323539  0.764191  0.612008  1
  Ni  Ni253  1  0.462379  0.204919  0.656209  1
  Ni  Ni254  1  0.472117  0.849406  0.672635  1
  Ni  Ni255  1  0.618658  0.893656  0.639870  1
  Ni  Ni256  1  0.795712  0.871585  0.656209  1
  Ni  Ni257  1  0.451991  0.560323  0.639870  1
  Ni  Ni258  1  0.629045  0.538252  0.656209  1
  Ni  Ni259  1  0.638783  0.182739  0.672635  1
  Ni  Ni260  1  0.785325  0.226989  0.639870  1
  Ni  Ni261  1  0.962379  0.204919  0.656209  1
  Ni  Ni262  1  0.972117  0.849406  0.672635  1
  Ni  Ni263  1  0.118658  0.893656  0.639870  1
  Ni  Ni264  1  0.295712  0.871585  0.656209  1
  Ni  Ni265  1  0.805450  0.516072  0.672635  1
  Ni  Ni266  1  0.951991  0.560323  0.639870  1
  Ni  Ni267  1  0.129045  0.538252  0.656209  1
  Ni  Ni268  1  0.138783  0.182739  0.672635  1
  Ni  Ni269  1  0.285325  0.226989  0.639870  1
  Ni  Ni270  1  0.305450  0.516072  0.672635  1
  Ni  Ni271  1  0.510769  0.386274  0.645699  1
  Ni  Ni272  1  0.520388  0.030472  0.662151  1
  Ni  Ni273  1  0.667088  0.074895  0.628851  1
  Ni  Ni274  1  0.844102  0.052940  0.645699  1
  Ni  Ni275  1  0.500421  0.741562  0.628851  1
  Ni  Ni276  1  0.677436  0.719607  0.645699  1
  Ni  Ni277  1  0.687054  0.363806  0.662151  1
  Ni  Ni278  1  0.833755  0.408228  0.628851  1
  Ni  Ni279  1  0.010769  0.386274  0.645699  1
  Ni  Ni280  1  0.020388  0.030472  0.662151  1
  Ni  Ni281  1  0.167088  0.074895  0.628851  1
  Ni  Ni282  1  0.344102  0.052940  0.645699  1
  Ni  Ni283  1  0.853721  0.697139  0.662151  1
  Ni  Ni284  1  1.000421  0.741562  0.628851  1
  Ni  Ni285  1  0.177436  0.719607  0.645699  1
  Ni  Ni286  1  0.187054  0.363806  0.662151  1
  Ni  Ni287  1  0.333755  0.408228  0.628851  1
  Ni  Ni288  1  0.353721  0.697139  0.662151  1
  Ni  Ni289  1  0.493295  0.136268  0.705220  1
  Ni  Ni290  1  0.499612  0.782475  0.720853  1
  Ni  Ni291  1  0.649393  0.827137  0.689573  1
  Ni  Ni292  1  0.826628  0.802935  0.705220  1
  Ni  Ni293  1  0.482726  0.493804  0.689573  1
  Ni  Ni294  1  0.659961  0.469601  0.705220  1
  Ni  Ni295  1  0.666279  0.115809  0.720853  1
  Ni  Ni296  1  0.816059  0.160471  0.689573  1
  Ni  Ni297  1  0.993295  0.136268  0.705220  1
  Ni  Ni298  1  0.999612  0.782475  0.720853  1
  Ni  Ni299  1  0.149393  0.827137  0.689573  1
  Ni  Ni300  1  0.326628  0.802935  0.705220  1
  Ni  Ni301  1  0.832946  0.449142  0.720853  1
  Ni  Ni302  1  0.982726  0.493804  0.689573  1
  Ni  Ni303  1  0.159961  0.469601  0.705220  1
  Ni  Ni304  1  0.166279  0.115809  0.720853  1
  Ni  Ni305  1  0.316059  0.160471  0.689573  1
  Ni  Ni306  1  0.332946  0.449142  0.720853  1
  Ni  Ni307  1  0.540614  0.318059  0.695285  1
  Ni  Ni308  1  0.550505  0.962661  0.711128  1
  Ni  Ni309  1  0.697216  0.008223  0.678770  1
  Ni  Ni310  1  0.873947  0.984726  0.695285  1
  Ni  Ni311  1  0.530549  0.674890  0.678770  1
  Ni  Ni312  1  0.707280  0.651392  0.695285  1
  Ni  Ni313  1  0.717172  0.295994  0.711128  1
  Ni  Ni314  1  0.863882  0.341556  0.678770  1
  Ni  Ni315  1  0.040614  0.318059  0.695285  1
  Ni  Ni316  1  0.050505  0.962661  0.711128  1
  Ni  Ni317  1  0.197216  0.008223  0.678770  1
  Ni  Ni318  1  0.373947  0.984726  0.695285  1
  Ni  Ni319  1  0.883839  0.629327  0.711128  1
  Ni  Ni320  1  0.030549  0.674890  0.678770  1
  Ni  Ni321  1  0.207280  0.651392  0.695285  1
  Ni  Ni322  1  0.217172  0.295994  0.711128  1
  Ni  Ni323  1  0.363882  0.341556  0.678770  1
  Ni  Ni324  1  0.383839  0.629327  0.711128  1
