# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.51363832
_cell_length_b   13.38799096
_cell_length_c   46.37426378
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.57702971
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   5010.35410117
_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  0.645453  0.704770  0.296460  1
  Ni  Ni2  1  0.145453  0.704770  0.296460  1
  Ni  Ni3  1  0.067355  0.045503  0.288974  1
  Ni  Ni4  1  0.491900  0.387492  0.281630  1
  Ni  Ni5  1  0.567355  0.045503  0.288974  1
  Ni  Ni6  1  0.991900  0.387492  0.281630  1
  Ni  Ni7  1  0.737213  0.545544  0.288972  1
  Ni  Ni8  1  0.237213  0.545544  0.288972  1
  Ni  Ni9  1  0.154525  0.887436  0.281636  1
  Ni  Ni10  1  0.318337  0.204794  0.296466  1
  Ni  Ni11  1  0.654525  0.887436  0.281636  1
  Ni  Ni12  1  0.818337  0.204794  0.296466  1
  Ni  Ni13  1  0.388985  0.687877  0.321776  1
  Ni  Ni14  1  0.888985  0.687877  0.321776  1
  Ni  Ni15  1  0.809853  0.026550  0.313805  1
  Ni  Ni16  1  0.228489  0.363651  0.304701  1
  Ni  Ni17  1  0.309853  0.026550  0.313805  1
  Ni  Ni18  1  0.728489  0.363651  0.304701  1
  Ni  Ni19  1  0.475691  0.526546  0.313805  1
  Ni  Ni20  1  0.975691  0.526546  0.313805  1
  Ni  Ni21  1  0.894109  0.863658  0.304715  1
  Ni  Ni22  1  0.057885  0.187861  0.321779  1
  Ni  Ni23  1  0.394109  0.863658  0.304715  1
  Ni  Ni24  1  0.557885  0.187861  0.321779  1
  Ni  Ni25  1  0.129650  0.667913  0.348607  1
  Ni  Ni26  1  0.629650  0.667913  0.348607  1
  Ni  Ni27  1  0.549401  0.006755  0.340130  1
  Ni  Ni28  1  0.969519  0.346695  0.332098  1
  Ni  Ni29  1  0.049401  0.006755  0.340130  1
  Ni  Ni30  1  0.469519  0.346695  0.332098  1
  Ni  Ni31  1  0.216342  0.506759  0.340127  1
  Ni  Ni32  1  0.716342  0.506759  0.340127  1
  Ni  Ni33  1  0.636143  0.846693  0.332106  1
  Ni  Ni34  1  0.797244  0.167909  0.348612  1
  Ni  Ni35  1  0.136143  0.846693  0.332106  1
  Ni  Ni36  1  0.297244  0.167909  0.348612  1
  Ni  Ni37  1  0.870089  0.649548  0.374711  1
  Ni  Ni38  1  0.370089  0.649548  0.374711  1
  Ni  Ni39  1  0.290212  0.989192  0.366297  1
  Ni  Ni40  1  0.710354  0.328474  0.357534  1
  Ni  Ni41  1  0.790212  0.989192  0.366297  1
  Ni  Ni42  1  0.210354  0.328474  0.357534  1
  Ni  Ni43  1  0.957955  0.489192  0.366297  1
  Ni  Ni44  1  0.457955  0.489192  0.366297  1
  Ni  Ni45  1  0.377082  0.828470  0.357543  1
  Ni  Ni46  1  0.538432  0.149549  0.374715  1
  Ni  Ni47  1  0.877082  0.828470  0.357543  1
  Ni  Ni48  1  0.038432  0.149549  0.374715  1
  Ni  Ni49  1  0.610645  0.630718  0.401406  1
  Ni  Ni50  1  0.110645  0.630718  0.401406  1
  Ni  Ni51  1  0.030446  0.970252  0.392744  1
  Ni  Ni52  1  0.450370  0.309582  0.384153  1
  Ni  Ni53  1  0.530446  0.970252  0.392744  1
  Ni  Ni54  1  0.950370  0.309582  0.384153  1
  Ni  Ni55  1  0.698769  0.470251  0.392742  1
  Ni  Ni56  1  0.198769  0.470251  0.392742  1
  Ni  Ni57  1  0.118168  0.809578  0.384159  1
  Ni  Ni58  1  0.279033  0.130717  0.401410  1
  Ni  Ni59  1  0.618168  0.809578  0.384159  1
  Ni  Ni60  1  0.779033  0.130717  0.401410  1
  Ni  Ni61  1  0.351371  0.612183  0.427763  1
  Ni  Ni62  1  0.851371  0.612183  0.427763  1
  Ni  Ni63  1  0.771091  0.951630  0.419110  1
  Ni  Ni64  1  0.190853  0.291025  0.410326  1
  Ni  Ni65  1  0.271091  0.951630  0.419110  1
  Ni  Ni66  1  0.690853  0.291025  0.410326  1
  Ni  Ni67  1  0.439492  0.451630  0.419110  1
  Ni  Ni68  1  0.939492  0.451630  0.419110  1
  Ni  Ni69  1  0.859120  0.791021  0.410332  1
  Ni  Ni70  1  0.019761  0.112182  0.427767  1
  Ni  Ni71  1  0.359120  0.791021  0.410332  1
  Ni  Ni72  1  0.519761  0.112182  0.427767  1
  Ni  Ni73  1  0.092001  0.593484  0.454241  1
  Ni  Ni74  1  0.592001  0.593484  0.454241  1
  Ni  Ni75  1  0.511694  0.932998  0.445504  1
  Ni  Ni76  1  0.931497  0.272482  0.436790  1
  Ni  Ni77  1  0.011694  0.932998  0.445504  1
  Ni  Ni78  1  0.431497  0.272482  0.436790  1
  Ni  Ni79  1  0.180246  0.432997  0.445504  1
  Ni  Ni80  1  0.680246  0.432997  0.445504  1
  Ni  Ni81  1  0.599926  0.772479  0.436795  1
  Ni  Ni82  1  0.760422  0.093482  0.454245  1
  Ni  Ni83  1  0.099926  0.772479  0.436795  1
  Ni  Ni84  1  0.260422  0.093482  0.454245  1
  Ni  Ni85  1  0.832682  0.574897  0.480641  1
  Ni  Ni86  1  0.332682  0.574897  0.480641  1
  Ni  Ni87  1  0.252397  0.914398  0.471905  1
  Ni  Ni88  1  0.672170  0.253880  0.463133  1
  Ni  Ni89  1  0.752397  0.914398  0.471905  1
  Ni  Ni90  1  0.172170  0.253880  0.463133  1
  Ni  Ni91  1  0.920932  0.414397  0.471906  1
  Ni  Ni92  1  0.420932  0.414397  0.471906  1
  Ni  Ni93  1  0.340642  0.753877  0.463138  1
  Ni  Ni94  1  0.501143  0.074894  0.480646  1
  Ni  Ni95  1  0.840642  0.753877  0.463138  1
  Ni  Ni96  1  1.001143  0.074894  0.480646  1
  Ni  Ni97  1  0.573360  0.556277  0.507050  1
  Ni  Ni98  1  0.073360  0.556277  0.507050  1
  Ni  Ni99  1  0.993070  0.895776  0.498301  1
  Ni  Ni100  1  0.412863  0.235278  0.489546  1
  Ni  Ni101  1  0.493070  0.895776  0.498301  1
  Ni  Ni102  1  0.912863  0.235278  0.489546  1
  Ni  Ni103  1  0.661628  0.395776  0.498301  1
  Ni  Ni104  1  0.161628  0.395776  0.498301  1
  Ni  Ni105  1  0.081337  0.735275  0.489551  1
  Ni  Ni106  1  0.241835  0.056274  0.507055  1
  Ni  Ni107  1  0.581337  0.735275  0.489551  1
  Ni  Ni108  1  0.741835  0.056274  0.507055  1
  Ni  Ni109  1  0.314056  0.537676  0.533464  1
  Ni  Ni110  1  0.814056  0.537676  0.533464  1
  Ni  Ni111  1  0.733765  0.877155  0.524696  1
  Ni  Ni112  1  0.153555  0.216658  0.515956  1
  Ni  Ni113  1  0.233765  0.877155  0.524696  1
  Ni  Ni114  1  0.653555  0.216658  0.515956  1
  Ni  Ni115  1  0.402300  0.377154  0.524696  1
  Ni  Ni116  1  0.902300  0.377154  0.524696  1
  Ni  Ni117  1  0.822015  0.716655  0.515960  1
  Ni  Ni118  1  0.982528  0.037672  0.533469  1
  Ni  Ni119  1  0.322015  0.716655  0.515960  1
  Ni  Ni120  1  0.482528  0.037672  0.533469  1
  Ni  Ni121  1  0.054771  0.519073  0.559806  1
  Ni  Ni122  1  0.554771  0.519073  0.559806  1
  Ni  Ni123  1  0.474451  0.858555  0.551097  1
  Ni  Ni124  1  0.894276  0.198070  0.542357  1
  Ni  Ni125  1  0.974451  0.858555  0.551097  1
  Ni  Ni126  1  0.394276  0.198070  0.542357  1
  Ni  Ni127  1  0.143004  0.358554  0.551097  1
  Ni  Ni128  1  0.643004  0.358554  0.551097  1
  Ni  Ni129  1  0.562697  0.698068  0.542361  1
  Ni  Ni130  1  0.723201  0.019070  0.559812  1
  Ni  Ni131  1  0.062697  0.698068  0.542361  1
  Ni  Ni132  1  0.223201  0.019070  0.559812  1
  Ni  Ni133  1  0.795577  0.500531  0.586269  1
  Ni  Ni134  1  0.295577  0.500531  0.586269  1
  Ni  Ni135  1  0.215206  0.839922  0.577492  1
  Ni  Ni136  1  0.634936  0.179370  0.568834  1
  Ni  Ni137  1  0.715206  0.839922  0.577492  1
  Ni  Ni138  1  0.134936  0.179370  0.568834  1
  Ni  Ni139  1  0.883606  0.339922  0.577491  1
  Ni  Ni140  1  0.383606  0.339922  0.577491  1
  Ni  Ni141  1  0.303326  0.679369  0.568839  1
  Ni  Ni142  1  0.463844  1.000527  0.586276  1
  Ni  Ni143  1  0.803326  0.679369  0.568839  1
  Ni  Ni144  1  0.963844  1.000527  0.586276  1
  Ni  Ni145  1  0.536529  0.481974  0.612442  1
  Ni  Ni146  1  0.036529  0.481974  0.612442  1
  Ni  Ni147  1  0.955929  0.821301  0.603859  1
  Ni  Ni148  1  0.375664  0.160835  0.595191  1
  Ni  Ni149  1  0.455929  0.821301  0.603859  1
  Ni  Ni150  1  0.875664  0.160835  0.595191  1
  Ni  Ni151  1  0.624251  0.321300  0.603858  1
  Ni  Ni152  1  0.124251  0.321300  0.603858  1
  Ni  Ni153  1  0.044052  0.660834  0.595196  1
  Ni  Ni154  1  0.204328  0.981970  0.612449  1
  Ni  Ni155  1  0.544052  0.660834  0.595196  1
  Ni  Ni156  1  0.704328  0.981970  0.612449  1
  Ni  Ni157  1  0.277616  0.463082  0.639058  1
  Ni  Ni158  1  0.777616  0.463082  0.639058  1
  Ni  Ni159  1  0.696742  0.802360  0.630305  1
  Ni  Ni160  1  0.116266  0.142003  0.621886  1
  Ni  Ni161  1  0.196742  0.802360  0.630305  1
  Ni  Ni162  1  0.616266  0.142003  0.621886  1
  Ni  Ni163  1  0.364485  0.302360  0.630304  1
  Ni  Ni164  1  0.864485  0.302360  0.630304  1
  Ni  Ni165  1  0.784609  0.642004  0.621890  1
  Ni  Ni166  1  0.944344  0.963078  0.639067  1
  Ni  Ni167  1  0.284609  0.642004  0.621890  1
  Ni  Ni168  1  0.444344  0.963078  0.639067  1
  Ni  Ni169  1  0.018554  0.444859  0.664496  1
  Ni  Ni170  1  0.518554  0.444859  0.664496  1
  Ni  Ni171  1  0.438356  0.784793  0.656475  1
  Ni  Ni172  1  0.857453  0.123643  0.647990  1
  Ni  Ni173  1  0.938356  0.784793  0.656475  1
  Ni  Ni174  1  0.357453  0.123643  0.647990  1
  Ni  Ni175  1  0.105296  0.284797  0.656472  1
  Ni  Ni176  1  0.605296  0.284797  0.656472  1
  Ni  Ni177  1  0.525048  0.623639  0.647994  1
  Ni  Ni178  1  0.685178  0.944858  0.664504  1
  Ni  Ni179  1  0.025048  0.623639  0.647994  1
  Ni  Ni180  1  0.185178  0.944858  0.664504  1
  Ni  Ni181  1  0.760588  0.427894  0.691887  1
  Ni  Ni182  1  0.260588  0.427894  0.691887  1
  Ni  Ni183  1  0.179007  0.765006  0.682797  1
  Ni  Ni184  1  0.596813  0.103691  0.674822  1
  Ni  Ni185  1  0.679007  0.765006  0.682797  1
  Ni  Ni186  1  0.096813  0.103691  0.674822  1
  Ni  Ni187  1  0.844844  0.265002  0.682797  1
  Ni  Ni188  1  0.344844  0.265002  0.682797  1
  Ni  Ni189  1  0.265713  0.603675  0.674825  1
  Ni  Ni190  1  0.426208  0.927902  0.691900  1
  Ni  Ni191  1  0.765713  0.603675  0.674825  1
  Ni  Ni192  1  0.926208  0.927902  0.691900  1
  Ni  Ni193  1  0.500173  0.404116  0.714966  1
  Ni  Ni194  1  1.000173  0.404116  0.714966  1
  Ni  Ni195  1  0.917484  0.746008  0.707630  1
  Ni  Ni196  1  0.336360  0.086758  0.700136  1
  Ni  Ni197  1  0.417484  0.746008  0.707630  1
  Ni  Ni198  1  0.836360  0.086758  0.700136  1
  Ni  Ni199  1  0.587342  0.246049  0.707627  1
  Ni  Ni200  1  0.087342  0.246049  0.707627  1
  Ni  Ni201  1  0.009244  0.586782  0.700142  1
  Ni  Ni202  1  0.162797  0.904060  0.714972  1
  Ni  Ni203  1  0.509244  0.586782  0.700142  1
  Ni  Ni204  1  0.662797  0.904060  0.714972  1
