# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.90288553
_cell_length_b   12.50107969
_cell_length_c   47.93592827
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   82.12626463
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5284.76478427
_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  0.027416  0.766261  0.278633  1
  Ni  Ni2  1  0.360749  0.432928  0.278633  1
  Ni  Ni3  1  0.300035  0.755068  0.289818  1
  Ni  Ni4  1  0.694082  0.099595  0.278633  1
  Ni  Ni5  1  0.633368  0.421734  0.289818  1
  Ni  Ni6  1  0.571232  0.748216  0.301478  1
  Ni  Ni7  1  0.966702  0.088401  0.289818  1
  Ni  Ni8  1  0.904565  0.414883  0.301478  1
  Ni  Ni9  1  0.237899  0.081550  0.301478  1
  Ni  Ni10  1  0.027259  0.582837  0.298994  1
  Ni  Ni11  1  0.360592  0.249503  0.298994  1
  Ni  Ni12  1  0.296550  0.578060  0.311950  1
  Ni  Ni13  1  0.693926  0.916170  0.298994  1
  Ni  Ni14  1  0.629884  0.244727  0.311950  1
  Ni  Ni15  1  0.753007  0.590399  0.287849  1
  Ni  Ni16  1  0.963217  0.911393  0.311950  1
  Ni  Ni17  1  0.086340  0.257066  0.287849  1
  Ni  Ni18  1  0.419674  0.923732  0.287849  1
  Ni  Ni19  1  0.840796  0.741797  0.314417  1
  Ni  Ni20  1  0.174129  0.408464  0.314417  1
  Ni  Ni21  1  0.111755  0.735135  0.327052  1
  Ni  Ni22  1  0.507462  0.075130  0.314417  1
  Ni  Ni23  1  0.445088  0.401801  0.327052  1
  Ni  Ni24  1  0.382927  0.728770  0.338998  1
  Ni  Ni25  1  0.778421  0.068468  0.327052  1
  Ni  Ni26  1  0.716260  0.395437  0.338998  1
  Ni  Ni27  1  0.049593  0.062103  0.338998  1
  Ni  Ni28  1  0.837816  0.562518  0.336829  1
  Ni  Ni29  1  0.171149  0.229185  0.336829  1
  Ni  Ni30  1  0.107311  0.556315  0.349023  1
  Ni  Ni31  1  0.504483  0.895851  0.336829  1
  Ni  Ni32  1  0.440644  0.222982  0.349023  1
  Ni  Ni33  1  0.565117  0.569531  0.324256  1
  Ni  Ni34  1  0.773978  0.889649  0.349023  1
  Ni  Ni35  1  0.898450  0.236198  0.324256  1
  Ni  Ni36  1  0.231784  0.902865  0.324256  1
  Ni  Ni37  1  0.652448  0.721283  0.351227  1
  Ni  Ni38  1  0.985781  0.387950  0.351227  1
  Ni  Ni39  1  0.922388  0.714804  0.363663  1
  Ni  Ni40  1  0.319114  0.054616  0.351227  1
  Ni  Ni41  1  0.255721  0.381471  0.363663  1
  Ni  Ni42  1  0.193213  0.708061  0.376053  1
  Ni  Ni43  1  0.589054  0.048138  0.363663  1
  Ni  Ni44  1  0.526546  0.374727  0.376053  1
  Ni  Ni45  1  0.859879  0.041394  0.376053  1
  Ni  Ni46  1  0.648327  0.542564  0.373668  1
  Ni  Ni47  1  0.981660  0.209230  0.373668  1
  Ni  Ni48  1  0.919185  0.535538  0.386121  1
  Ni  Ni49  1  0.314994  0.875897  0.373668  1
  Ni  Ni50  1  0.252519  0.202205  0.386121  1
  Ni  Ni51  1  0.377418  0.549623  0.361500  1
  Ni  Ni52  1  0.585852  0.868872  0.386121  1
  Ni  Ni53  1  0.710752  0.216289  0.361500  1
  Ni  Ni54  1  0.044085  0.882956  0.361500  1
  Ni  Ni55  1  0.463691  0.701178  0.388349  1
  Ni  Ni56  1  0.797024  0.367844  0.388349  1
  Ni  Ni57  1  0.734058  0.694158  0.400690  1
  Ni  Ni58  1  0.130357  0.034511  0.388349  1
  Ni  Ni59  1  0.067391  0.360825  0.400690  1
  Ni  Ni60  1  0.004545  0.687453  0.413060  1
  Ni  Ni61  1  0.400724  0.027492  0.400690  1
  Ni  Ni62  1  0.337879  0.354119  0.413060  1
  Ni  Ni63  1  0.671212  0.020786  0.413060  1
  Ni  Ni64  1  0.460241  0.522070  0.410842  1
  Ni  Ni65  1  0.793574  0.188737  0.410842  1
  Ni  Ni66  1  0.730719  0.515186  0.423159  1
  Ni  Ni67  1  0.126907  0.855404  0.410842  1
  Ni  Ni68  1  0.064052  0.181852  0.423159  1
  Ni  Ni69  1  0.189549  0.528839  0.398499  1
  Ni  Ni70  1  0.397386  0.848519  0.423159  1
  Ni  Ni71  1  0.522882  0.195506  0.398499  1
  Ni  Ni72  1  0.856216  0.862173  0.398499  1
  Ni  Ni73  1  0.275133  0.680614  0.425422  1
  Ni  Ni74  1  0.608466  0.347281  0.425422  1
  Ni  Ni75  1  0.545645  0.673807  0.437769  1
  Ni  Ni76  1  0.941799  0.013947  0.425422  1
  Ni  Ni77  1  0.878978  0.340474  0.437769  1
  Ni  Ni78  1  0.816168  0.666947  0.450115  1
  Ni  Ni79  1  0.212311  0.007140  0.437769  1
  Ni  Ni80  1  0.149502  0.333613  0.450115  1
  Ni  Ni81  1  0.482835  1.000280  0.450115  1
  Ni  Ni82  1  0.271884  0.501515  0.447906  1
  Ni  Ni83  1  0.605218  0.168181  0.447906  1
  Ni  Ni84  1  0.542448  0.494697  0.460253  1
  Ni  Ni85  1  0.938551  0.834848  0.447906  1
  Ni  Ni86  1  0.875781  0.161363  0.460253  1
  Ni  Ni87  1  1.001294  0.508328  0.435542  1
  Ni  Ni88  1  0.209114  0.828030  0.460253  1
  Ni  Ni89  1  0.334628  0.174995  0.435542  1
  Ni  Ni90  1  0.667961  0.841662  0.435542  1
  Ni  Ni91  1  0.086726  0.660122  0.462475  1
  Ni  Ni92  1  0.420059  0.326788  0.462475  1
  Ni  Ni93  1  0.357286  0.653295  0.474835  1
  Ni  Ni94  1  0.753393  0.993455  0.462475  1
  Ni  Ni95  1  0.690619  0.319961  0.474835  1
  Ni  Ni96  1  0.627822  0.646477  0.487185  1
  Ni  Ni97  1  0.023953  0.986628  0.474835  1
  Ni  Ni98  1  0.961155  0.313144  0.487185  1
  Ni  Ni99  1  0.294488  0.979810  0.487185  1
  Ni  Ni100  1  0.083531  0.481034  0.484962  1
  Ni  Ni101  1  0.416864  0.147701  0.484962  1
  Ni  Ni102  1  0.354100  0.474202  0.497322  1
  Ni  Ni103  1  0.750197  0.814368  0.484962  1
  Ni  Ni104  1  0.687433  0.140869  0.497322  1
  Ni  Ni105  1  0.812965  0.487873  0.472601  1
  Ni  Ni106  1  0.020767  0.807536  0.497322  1
  Ni  Ni107  1  0.146298  0.154539  0.472601  1
  Ni  Ni108  1  0.479632  0.821206  0.472601  1
  Ni  Ni109  1  0.898369  0.639647  0.499536  1
  Ni  Ni110  1  0.231702  0.306314  0.499536  1
  Ni  Ni111  1  0.168938  0.632815  0.511895  1
  Ni  Ni112  1  0.565035  0.972980  0.499536  1
  Ni  Ni113  1  0.502271  0.299482  0.511895  1
  Ni  Ni114  1  0.439504  0.625977  0.524256  1
  Ni  Ni115  1  0.835605  0.966148  0.511895  1
  Ni  Ni116  1  0.772837  0.292643  0.524256  1
  Ni  Ni117  1  0.106170  0.959310  0.524256  1
  Ni  Ni118  1  0.895183  0.460555  0.522022  1
  Ni  Ni119  1  0.228516  0.127221  0.522022  1
  Ni  Ni120  1  0.165742  0.453728  0.534382  1
  Ni  Ni121  1  0.561849  0.793888  0.522022  1
  Ni  Ni122  1  0.499076  0.120394  0.534382  1
  Ni  Ni123  1  0.624647  0.467372  0.509672  1
  Ni  Ni124  1  0.832409  0.787061  0.534382  1
  Ni  Ni125  1  0.957980  0.134039  0.509672  1
  Ni  Ni126  1  0.291314  0.800706  0.509672  1
  Ni  Ni127  1  0.710021  0.619153  0.536604  1
  Ni  Ni128  1  0.043354  0.285819  0.536604  1
  Ni  Ni129  1  0.980584  0.612335  0.548951  1
  Ni  Ni130  1  0.376688  0.952486  0.536604  1
  Ni  Ni131  1  0.313918  0.279001  0.548951  1
  Ni  Ni132  1  0.251174  0.605521  0.561315  1
  Ni  Ni133  1  0.647251  0.945668  0.548951  1
  Ni  Ni134  1  0.584508  0.272188  0.561315  1
  Ni  Ni135  1  0.917841  0.938854  0.561315  1
  Ni  Ni136  1  0.706824  0.440042  0.559088  1
  Ni  Ni137  1  0.040157  0.106709  0.559088  1
  Ni  Ni138  1  0.977336  0.433235  0.571435  1
  Ni  Ni139  1  0.373491  0.773376  0.559088  1
  Ni  Ni140  1  0.310669  0.099902  0.571435  1
  Ni  Ni141  1  0.436300  0.446903  0.546742  1
  Ni  Ni142  1  0.644003  0.766569  0.571435  1
  Ni  Ni143  1  0.769634  0.113569  0.546742  1
  Ni  Ni144  1  0.102967  0.780236  0.546742  1
  Ni  Ni145  1  0.521750  0.598664  0.573698  1
  Ni  Ni146  1  0.855083  0.265330  0.573698  1
  Ni  Ni147  1  0.792228  0.591779  0.586015  1
  Ni  Ni148  1  0.188416  0.931997  0.573698  1
  Ni  Ni149  1  0.125561  0.258446  0.586015  1
  Ni  Ni150  1  0.062920  0.585010  0.598358  1
  Ni  Ni151  1  0.458894  0.925112  0.586015  1
  Ni  Ni152  1  0.396253  0.251677  0.598358  1
  Ni  Ni153  1  0.729586  0.918343  0.598358  1
  Ni  Ni154  1  0.518411  0.419691  0.596167  1
  Ni  Ni155  1  0.851744  0.086358  0.596167  1
  Ni  Ni156  1  0.788778  0.412672  0.608508  1
  Ni  Ni157  1  0.185078  0.753024  0.596167  1
  Ni  Ni158  1  0.122111  0.079338  0.608508  1
  Ni  Ni159  1  0.247923  0.426397  0.583797  1
  Ni  Ni160  1  0.455445  0.746005  0.608508  1
  Ni  Ni161  1  0.581257  0.093063  0.583797  1
  Ni  Ni162  1  0.914590  0.759730  0.583797  1
  Ni  Ni163  1  0.333283  0.578311  0.610736  1
  Ni  Ni164  1  0.666617  0.244978  0.610736  1
  Ni  Ni165  1  0.604142  0.571286  0.623189  1
  Ni  Ni166  1  0.999950  0.911644  0.610736  1
  Ni  Ni167  1  0.937475  0.237952  0.623189  1
  Ni  Ni168  1  0.875050  0.564227  0.635357  1
  Ni  Ni169  1  0.270808  0.904619  0.623189  1
  Ni  Ni170  1  0.208383  0.230893  0.635357  1
  Ni  Ni171  1  0.541717  0.897560  0.635357  1
  Ni  Ni172  1  0.330081  0.399045  0.633194  1
  Ni  Ni173  1  0.663414  0.065712  0.633194  1
  Ni  Ni174  1  0.600021  0.392566  0.645630  1
  Ni  Ni175  1  0.996747  0.732378  0.633194  1
  Ni  Ni176  1  0.933354  0.059233  0.645630  1
  Ni  Ni177  1  0.059256  0.405789  0.620804  1
  Ni  Ni178  1  0.266688  0.725900  0.645630  1
  Ni  Ni179  1  0.392589  0.072455  0.620804  1
  Ni  Ni180  1  0.725923  0.739122  0.620804  1
  Ni  Ni181  1  0.145158  0.557534  0.647834  1
  Ni  Ni182  1  0.478491  0.224201  0.647834  1
  Ni  Ni183  1  0.414653  0.551331  0.660028  1
  Ni  Ni184  1  0.811824  0.890867  0.647834  1
  Ni  Ni185  1  0.747986  0.217998  0.660028  1
  Ni  Ni186  1  0.687352  0.544318  0.672601  1
  Ni  Ni187  1  0.081319  0.884665  0.660028  1
  Ni  Ni188  1  0.020685  0.210985  0.672601  1
  Ni  Ni189  1  0.354018  0.877651  0.672601  1
  Ni  Ni190  1  0.140714  0.378715  0.669805  1
  Ni  Ni191  1  0.474047  0.045381  0.669805  1
  Ni  Ni192  1  0.411673  0.372052  0.682440  1
  Ni  Ni193  1  0.807380  0.712048  0.669805  1
  Ni  Ni194  1  0.745006  0.038719  0.682440  1
  Ni  Ni195  1  0.869542  0.385079  0.657859  1
  Ni  Ni196  1  0.078340  0.705386  0.682440  1
  Ni  Ni197  1  0.202875  0.051746  0.657859  1
  Ni  Ni198  1  0.536209  0.718413  0.657859  1
  Ni  Ni199  1  0.955918  0.535789  0.684907  1
  Ni  Ni200  1  0.289251  0.202456  0.684907  1
  Ni  Ni201  1  0.225209  0.531013  0.697863  1
  Ni  Ni202  1  0.622585  0.869123  0.684907  1
  Ni  Ni203  1  0.558543  0.197679  0.697863  1
  Ni  Ni204  1  0.499462  0.523450  0.709008  1
  Ni  Ni205  1  0.891876  0.864346  0.697863  1
  Ni  Ni206  1  0.832795  0.190117  0.709008  1
  Ni  Ni207  1  0.166128  0.856784  0.709008  1
  Ni  Ni208  1  0.952434  0.358782  0.707039  1
  Ni  Ni209  1  0.285767  0.025448  0.707039  1
  Ni  Ni210  1  0.225053  0.347588  0.718224  1
  Ni  Ni211  1  0.619100  0.692115  0.707039  1
  Ni  Ni212  1  0.558386  0.014255  0.718224  1
  Ni  Ni213  1  0.681237  0.365633  0.695379  1
  Ni  Ni214  1  0.891720  0.680921  0.718224  1
  Ni  Ni215  1  0.014570  0.032300  0.695379  1
  Ni  Ni216  1  0.347903  0.698966  0.695379  1
