# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54572557
_cell_length_b   12.99176835
_cell_length_c   46.34443450
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   109.25493633
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   4857.52088076
_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  0.550580  0.528927  0.288052  1
  Ni  Ni2  1  0.050580  0.528927  0.288052  1
  Ni  Ni3  1  0.980545  0.870363  0.280072  1
  Ni  Ni4  1  0.134787  0.186683  0.296605  1
  Ni  Ni5  1  0.480545  0.870363  0.280072  1
  Ni  Ni6  1  0.634787  0.186683  0.296605  1
  Ni  Ni7  1  0.808553  0.686741  0.296618  1
  Ni  Ni8  1  0.308553  0.686741  0.296618  1
  Ni  Ni9  1  0.235154  0.029013  0.288048  1
  Ni  Ni10  1  0.646350  0.370264  0.280087  1
  Ni  Ni11  1  0.735154  0.029013  0.288048  1
  Ni  Ni12  1  0.146350  0.370264  0.280087  1
  Ni  Ni13  1  0.295343  0.508066  0.314792  1
  Ni  Ni14  1  0.795343  0.508066  0.314792  1
  Ni  Ni15  1  0.718158  0.846761  0.305703  1
  Ni  Ni16  1  0.878530  0.168600  0.323092  1
  Ni  Ni17  1  0.218158  0.846761  0.305703  1
  Ni  Ni18  1  0.378530  0.168600  0.323092  1
  Ni  Ni19  1  0.546683  0.668564  0.323093  1
  Ni  Ni20  1  0.046683  0.668564  0.323093  1
  Ni  Ni21  1  0.969365  0.008035  0.314795  1
  Ni  Ni22  1  0.385161  0.346754  0.305727  1
  Ni  Ni23  1  0.469365  0.008035  0.314795  1
  Ni  Ni24  1  0.885161  0.346754  0.305727  1
  Ni  Ni25  1  0.037227  0.487824  0.340364  1
  Ni  Ni26  1  0.537227  0.487824  0.340364  1
  Ni  Ni27  1  0.458915  0.827877  0.332065  1
  Ni  Ni28  1  0.619384  0.148106  0.349223  1
  Ni  Ni29  1  0.958915  0.827877  0.332065  1
  Ni  Ni30  1  0.119384  0.148106  0.349223  1
  Ni  Ni31  1  0.285337  0.648095  0.349229  1
  Ni  Ni32  1  0.785337  0.648095  0.349229  1
  Ni  Ni33  1  0.707231  0.987815  0.340359  1
  Ni  Ni34  1  0.125582  0.327882  0.332078  1
  Ni  Ni35  1  0.207231  0.987815  0.340359  1
  Ni  Ni36  1  0.625582  0.327882  0.332078  1
  Ni  Ni37  1  0.777613  0.467805  0.366813  1
  Ni  Ni38  1  0.277613  0.467805  0.366813  1
  Ni  Ni39  1  0.199086  0.807945  0.358042  1
  Ni  Ni40  1  0.358542  0.127431  0.375452  1
  Ni  Ni41  1  0.699086  0.807945  0.358042  1
  Ni  Ni42  1  0.858542  0.127431  0.375452  1
  Ni  Ni43  1  0.025509  0.627438  0.375458  1
  Ni  Ni44  1  0.525509  0.627438  0.375458  1
  Ni  Ni45  1  0.446817  0.967795  0.366813  1
  Ni  Ni46  1  0.865481  0.307948  0.358058  1
  Ni  Ni47  1  0.946817  0.967795  0.366813  1
  Ni  Ni48  1  0.365481  0.307948  0.358058  1
  Ni  Ni49  1  0.517497  0.447249  0.393105  1
  Ni  Ni50  1  0.017497  0.447249  0.393105  1
  Ni  Ni51  1  0.938308  0.787227  0.384377  1
  Ni  Ni52  1  0.098109  0.107081  0.401911  1
  Ni  Ni53  1  0.438308  0.787227  0.384377  1
  Ni  Ni54  1  0.598109  0.107081  0.401911  1
  Ni  Ni55  1  0.765584  0.607081  0.401917  1
  Ni  Ni56  1  0.265584  0.607081  0.401917  1
  Ni  Ni57  1  0.186363  0.947235  0.393104  1
  Ni  Ni58  1  0.605533  0.287225  0.384387  1
  Ni  Ni59  1  0.686363  0.947235  0.393104  1
  Ni  Ni60  1  0.105533  0.287225  0.384387  1
  Ni  Ni61  1  0.257360  0.426775  0.419476  1
  Ni  Ni62  1  0.757360  0.426775  0.419476  1
  Ni  Ni63  1  0.677798  0.766863  0.410692  1
  Ni  Ni64  1  0.837761  0.086644  0.428243  1
  Ni  Ni65  1  0.177798  0.766863  0.410692  1
  Ni  Ni66  1  0.337761  0.086644  0.428243  1
  Ni  Ni67  1  0.505484  0.586645  0.428249  1
  Ni  Ni68  1  0.005484  0.586645  0.428249  1
  Ni  Ni69  1  0.926020  0.926767  0.419476  1
  Ni  Ni70  1  0.345674  0.266859  0.410700  1
  Ni  Ni71  1  0.426020  0.926767  0.419476  1
  Ni  Ni72  1  0.845674  0.266859  0.410700  1
  Ni  Ni73  1  0.997224  0.406374  0.445828  1
  Ni  Ni74  1  0.497224  0.406374  0.445828  1
  Ni  Ni75  1  0.417527  0.746498  0.437062  1
  Ni  Ni76  1  0.577457  0.066225  0.454619  1
  Ni  Ni77  1  0.917527  0.746498  0.437062  1
  Ni  Ni78  1  0.077457  0.066225  0.454619  1
  Ni  Ni79  1  0.245360  0.566224  0.454625  1
  Ni  Ni80  1  0.745360  0.566224  0.454625  1
  Ni  Ni81  1  0.665746  0.906368  0.445829  1
  Ni  Ni82  1  0.085569  0.246493  0.437069  1
  Ni  Ni83  1  0.165746  0.906368  0.445829  1
  Ni  Ni84  1  0.585569  0.246493  0.437069  1
  Ni  Ni85  1  0.737069  0.385961  0.472194  1
  Ni  Ni86  1  0.237069  0.385961  0.472194  1
  Ni  Ni87  1  0.157290  0.726083  0.463406  1
  Ni  Ni88  1  0.317194  0.045821  0.480976  1
  Ni  Ni89  1  0.657290  0.726083  0.463406  1
  Ni  Ni90  1  0.817194  0.045821  0.480976  1
  Ni  Ni91  1  0.985207  0.545819  0.480982  1
  Ni  Ni92  1  0.485207  0.545819  0.480982  1
  Ni  Ni93  1  0.405477  0.885956  0.472195  1
  Ni  Ni94  1  0.825381  0.226078  0.463412  1
  Ni  Ni95  1  0.905477  0.885956  0.472195  1
  Ni  Ni96  1  0.325381  0.226078  0.463412  1
  Ni  Ni97  1  0.476871  0.365548  0.498553  1
  Ni  Ni98  1  0.976871  0.365548  0.498553  1
  Ni  Ni99  1  0.897094  0.705681  0.489767  1
  Ni  Ni100  1  0.056956  0.025415  0.507335  1
  Ni  Ni101  1  0.397094  0.705681  0.489767  1
  Ni  Ni102  1  0.556956  0.025415  0.507335  1
  Ni  Ni103  1  0.725028  0.525411  0.507341  1
  Ni  Ni104  1  0.225028  0.525411  0.507341  1
  Ni  Ni105  1  0.145251  0.865544  0.498555  1
  Ni  Ni106  1  0.565166  0.205677  0.489773  1
  Ni  Ni107  1  0.645251  0.865544  0.498555  1
  Ni  Ni108  1  0.065166  0.205677  0.489773  1
  Ni  Ni109  1  0.216644  0.345135  0.524912  1
  Ni  Ni110  1  0.716644  0.345135  0.524912  1
  Ni  Ni111  1  0.636915  0.685273  0.516126  1
  Ni  Ni112  1  0.796740  0.005013  0.533695  1
  Ni  Ni113  1  0.136915  0.685273  0.516126  1
  Ni  Ni114  1  0.296740  0.005013  0.533695  1
  Ni  Ni115  1  0.464831  0.505008  0.533701  1
  Ni  Ni116  1  0.964831  0.505008  0.533701  1
  Ni  Ni117  1  0.885053  0.845130  0.524914  1
  Ni  Ni118  1  0.304928  0.185270  0.516132  1
  Ni  Ni119  1  0.385053  0.845130  0.524914  1
  Ni  Ni120  1  0.804928  0.185270  0.516132  1
  Ni  Ni121  1  0.956376  0.324723  0.551279  1
  Ni  Ni122  1  0.456376  0.324723  0.551279  1
  Ni  Ni123  1  0.376762  0.664867  0.542483  1
  Ni  Ni124  1  0.536553  0.984599  0.560039  1
  Ni  Ni125  1  0.876762  0.664867  0.542483  1
  Ni  Ni126  1  0.036553  0.984599  0.560039  1
  Ni  Ni127  1  0.204595  0.484594  0.560046  1
  Ni  Ni128  1  0.704595  0.484594  0.560046  1
  Ni  Ni129  1  0.624898  0.824717  0.551280  1
  Ni  Ni130  1  0.044665  0.164866  0.542488  1
  Ni  Ni131  1  0.124898  0.824717  0.551280  1
  Ni  Ni132  1  0.544665  0.164866  0.542488  1
  Ni  Ni133  1  0.696102  0.304324  0.577632  1
  Ni  Ni134  1  0.196102  0.304324  0.577632  1
  Ni  Ni135  1  0.116637  0.644446  0.568858  1
  Ni  Ni136  1  0.276448  0.964232  0.586407  1
  Ni  Ni137  1  0.616637  0.644446  0.568858  1
  Ni  Ni138  1  0.776448  0.964232  0.586407  1
  Ni  Ni139  1  0.944324  0.464229  0.586416  1
  Ni  Ni140  1  0.444324  0.464229  0.586416  1
  Ni  Ni141  1  0.364762  0.804317  0.577632  1
  Ni  Ni142  1  0.784361  0.144448  0.568864  1
  Ni  Ni143  1  0.864762  0.804317  0.577632  1
  Ni  Ni144  1  0.284361  0.144448  0.568864  1
  Ni  Ni145  1  0.435759  0.283856  0.604004  1
  Ni  Ni146  1  0.935759  0.283856  0.604004  1
  Ni  Ni147  1  0.856538  0.624010  0.595191  1
  Ni  Ni148  1  0.016588  0.943866  0.612721  1
  Ni  Ni149  1  0.356538  0.624010  0.595191  1
  Ni  Ni150  1  0.516588  0.943866  0.612721  1
  Ni  Ni151  1  0.683814  0.443864  0.612730  1
  Ni  Ni152  1  0.183814  0.443864  0.612730  1
  Ni  Ni153  1  0.104624  0.783843  0.604003  1
  Ni  Ni154  1  0.524013  0.124010  0.595196  1
  Ni  Ni155  1  0.604624  0.783843  0.604003  1
  Ni  Ni156  1  0.024013  0.124010  0.595196  1
  Ni  Ni157  1  0.175305  0.263296  0.630295  1
  Ni  Ni158  1  0.675305  0.263296  0.630295  1
  Ni  Ni159  1  0.596613  0.603653  0.621650  1
  Ni  Ni160  1  0.756641  0.923143  0.639050  1
  Ni  Ni161  1  0.096613  0.603653  0.621650  1
  Ni  Ni162  1  0.256641  0.923143  0.639050  1
  Ni  Ni163  1  0.423036  0.423146  0.639065  1
  Ni  Ni164  1  0.923036  0.423146  0.639065  1
  Ni  Ni165  1  0.844509  0.763286  0.630295  1
  Ni  Ni166  1  0.263580  0.103660  0.621656  1
  Ni  Ni167  1  0.344509  0.763286  0.630295  1
  Ni  Ni168  1  0.763580  0.103660  0.621656  1
  Ni  Ni169  1  0.914891  0.243276  0.656748  1
  Ni  Ni170  1  0.414891  0.243276  0.656748  1
  Ni  Ni171  1  0.336785  0.582996  0.647879  1
  Ni  Ni172  1  0.496540  0.903210  0.665030  1
  Ni  Ni173  1  0.836785  0.582996  0.647879  1
  Ni  Ni174  1  0.996540  0.903210  0.665030  1
  Ni  Ni175  1  0.163207  0.403215  0.665042  1
  Ni  Ni176  1  0.663207  0.403215  0.665042  1
  Ni  Ni177  1  0.584895  0.743268  0.656744  1
  Ni  Ni178  1  1.002738  0.082985  0.647884  1
  Ni  Ni179  1  0.084895  0.743268  0.656744  1
  Ni  Ni180  1  0.502738  0.082985  0.647884  1
  Ni  Ni181  1  0.652757  0.223057  0.682312  1
  Ni  Ni182  1  0.152757  0.223057  0.682312  1
  Ni  Ni183  1  0.075439  0.562528  0.674015  1
  Ni  Ni184  1  0.236960  0.884338  0.691381  1
  Ni  Ni185  1  0.575439  0.562528  0.674015  1
  Ni  Ni186  1  0.736960  0.884338  0.691381  1
  Ni  Ni187  1  0.903963  0.384330  0.691404  1
  Ni  Ni188  1  0.403963  0.384330  0.691404  1
  Ni  Ni189  1  0.326779  0.723026  0.682315  1
  Ni  Ni190  1  0.743592  0.062492  0.674015  1
  Ni  Ni191  1  0.826779  0.723026  0.682315  1
  Ni  Ni192  1  0.243592  0.062492  0.674015  1
  Ni  Ni193  1  0.386968  0.202078  0.709060  1
  Ni  Ni194  1  0.886968  0.202078  0.709060  1
  Ni  Ni195  1  0.813569  0.544350  0.700489  1
  Ni  Ni196  1  0.975771  0.860827  0.717021  1
  Ni  Ni197  1  0.313569  0.544350  0.700489  1
  Ni  Ni198  1  0.475771  0.860827  0.717021  1
  Ni  Ni199  1  0.641577  0.360728  0.717036  1
  Ni  Ni200  1  0.141577  0.360728  0.717036  1
  Ni  Ni201  1  0.071541  0.702164  0.709056  1
  Ni  Ni202  1  0.487335  0.044408  0.700503  1
  Ni  Ni203  1  0.571541  0.702164  0.709056  1
  Ni  Ni204  1  0.987335  0.044408  0.700503  1
