# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.78051451
_cell_length_b   13.27982239
_cell_length_c   46.22559716
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   72.56483336
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   6313.76521186
_cell_formula_units_Z   252
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  0.806671  0.663674  0.293261  1
  Ni  Ni2  1  0.140004  0.330341  0.293261  1
  Ni  Ni3  1  0.199142  0.678464  0.283267  1
  Ni  Ni4  1  0.417926  0.653734  0.302403  1
  Ni  Ni5  1  0.751259  0.320401  0.302403  1
  Ni  Ni6  1  0.084592  0.987068  0.302403  1
  Ni  Ni7  1  0.473337  0.997008  0.293261  1
  Ni  Ni8  1  0.532476  0.345131  0.283267  1
  Ni  Ni9  1  0.865809  0.011797  0.283267  1
  Ni  Ni10  1  0.833073  0.479206  0.308955  1
  Ni  Ni11  1  0.166406  0.145873  0.308955  1
  Ni  Ni12  1  0.223416  0.490268  0.298241  1
  Ni  Ni13  1  0.611516  0.502347  0.289140  1
  Ni  Ni14  1  0.944849  0.169013  0.289140  1
  Ni  Ni15  1  0.278183  0.835680  0.289140  1
  Ni  Ni16  1  0.499739  0.812540  0.308955  1
  Ni  Ni17  1  0.556750  0.156934  0.298241  1
  Ni  Ni18  1  0.890083  0.823601  0.298241  1
  Ni  Ni19  1  0.636870  0.633666  0.323889  1
  Ni  Ni20  1  0.970203  0.300333  0.323889  1
  Ni  Ni21  1  0.026405  0.643088  0.312895  1
  Ni  Ni22  1  0.243130  0.627358  0.333891  1
  Ni  Ni23  1  0.576463  0.294025  0.333891  1
  Ni  Ni24  1  0.909796  0.960692  0.333891  1
  Ni  Ni25  1  0.303536  0.966999  0.323889  1
  Ni  Ni26  1  0.359738  0.309755  0.312895  1
  Ni  Ni27  1  0.693071  0.976422  0.312895  1
  Ni  Ni28  1  0.654148  0.452575  0.340066  1
  Ni  Ni29  1  0.987481  0.119242  0.340066  1
  Ni  Ni30  1  0.046603  0.464102  0.329938  1
  Ni  Ni31  1  0.435722  0.474079  0.319839  1
  Ni  Ni32  1  0.769056  0.140746  0.319839  1
  Ni  Ni33  1  0.102389  0.807412  0.319839  1
  Ni  Ni34  1  0.320814  0.785909  0.340066  1
  Ni  Ni35  1  0.379937  0.130769  0.329938  1
  Ni  Ni36  1  0.713270  0.797435  0.329938  1
  Ni  Ni37  1  0.462616  0.608062  0.354444  1
  Ni  Ni38  1  0.795949  0.274729  0.354444  1
  Ni  Ni39  1  0.853175  0.617476  0.344524  1
  Ni  Ni40  1  0.070844  0.599531  0.364992  1
  Ni  Ni41  1  0.404177  0.266198  0.364992  1
  Ni  Ni42  1  0.737510  0.932864  0.364992  1
  Ni  Ni43  1  0.129283  0.941395  0.354444  1
  Ni  Ni44  1  0.186509  0.284142  0.344524  1
  Ni  Ni45  1  0.519842  0.950809  0.344524  1
  Ni  Ni46  1  0.478160  0.426999  0.371766  1
  Ni  Ni47  1  0.811493  0.093666  0.371766  1
  Ni  Ni48  1  0.870008  0.435821  0.361152  1
  Ni  Ni49  1  0.261716  0.444386  0.350440  1
  Ni  Ni50  1  0.595050  0.111053  0.350440  1
  Ni  Ni51  1  0.928383  0.777719  0.350440  1
  Ni  Ni52  1  0.144827  0.760332  0.371766  1
  Ni  Ni53  1  0.203341  0.102488  0.361152  1
  Ni  Ni54  1  0.536675  0.769155  0.361152  1
  Ni  Ni55  1  0.288256  0.580951  0.385722  1
  Ni  Ni56  1  0.621589  0.247617  0.385722  1
  Ni  Ni57  1  0.679483  0.589645  0.375596  1
  Ni  Ni58  1  0.896759  0.572196  0.396363  1
  Ni  Ni59  1  0.230092  0.238862  0.396363  1
  Ni  Ni60  1  0.563426  0.905529  0.396363  1
  Ni  Ni61  1  0.954923  0.914284  0.385722  1
  Ni  Ni62  1  0.012817  0.256312  0.375596  1
  Ni  Ni63  1  0.346150  0.922978  0.375596  1
  Ni  Ni64  1  0.303330  0.399753  0.402953  1
  Ni  Ni65  1  0.636664  0.066420  0.402953  1
  Ni  Ni66  1  0.695195  0.408348  0.392534  1
  Ni  Ni67  1  0.086439  0.418000  0.382128  1
  Ni  Ni68  1  0.419773  0.084666  0.382128  1
  Ni  Ni69  1  0.753106  0.751333  0.382128  1
  Ni  Ni70  1  0.969997  0.733087  0.402953  1
  Ni  Ni71  1  0.028528  0.075014  0.392534  1
  Ni  Ni72  1  0.361861  0.741681  0.392534  1
  Ni  Ni73  1  0.113872  0.554289  0.417113  1
  Ni  Ni74  1  0.447205  0.220955  0.417113  1
  Ni  Ni75  1  0.505232  0.563111  0.406724  1
  Ni  Ni76  1  0.722417  0.545025  0.427587  1
  Ni  Ni77  1  0.055751  0.211692  0.427587  1
  Ni  Ni78  1  0.389084  0.878359  0.427587  1
  Ni  Ni79  1  0.780539  0.887622  0.417113  1
  Ni  Ni80  1  0.838565  0.229778  0.406724  1
  Ni  Ni81  1  0.171898  0.896444  0.406724  1
  Ni  Ni82  1  0.129014  0.372671  0.434340  1
  Ni  Ni83  1  0.462347  0.039338  0.434340  1
  Ni  Ni84  1  0.520628  0.381472  0.423880  1
  Ni  Ni85  1  0.911972  0.390643  0.413465  1
  Ni  Ni86  1  0.245306  0.057309  0.413465  1
  Ni  Ni87  1  0.578639  0.723976  0.413465  1
  Ni  Ni88  1  0.795681  0.706004  0.434340  1
  Ni  Ni89  1  0.853961  0.048139  0.423880  1
  Ni  Ni90  1  0.187294  0.714806  0.423880  1
  Ni  Ni91  1  0.939580  0.527114  0.448406  1
  Ni  Ni92  1  0.272913  0.193781  0.448406  1
  Ni  Ni93  1  0.331029  0.536030  0.437915  1
  Ni  Ni94  1  0.548086  0.518015  0.458823  1
  Ni  Ni95  1  0.881419  0.184682  0.458823  1
  Ni  Ni96  1  0.214752  0.851348  0.458823  1
  Ni  Ni97  1  0.606247  0.860448  0.448406  1
  Ni  Ni98  1  0.664362  0.202697  0.437915  1
  Ni  Ni99  1  0.997696  0.869364  0.437915  1
  Ni  Ni100  1  0.954716  0.345498  0.465638  1
  Ni  Ni101  1  0.288049  0.012165  0.465638  1
  Ni  Ni102  1  0.346151  0.354572  0.455183  1
  Ni  Ni103  1  0.737617  0.363515  0.444781  1
  Ni  Ni104  1  0.070950  0.030182  0.444781  1
  Ni  Ni105  1  0.404284  0.696848  0.444781  1
  Ni  Ni106  1  0.621382  0.678831  0.465638  1
  Ni  Ni107  1  0.679484  0.021239  0.455183  1
  Ni  Ni108  1  0.012817  0.687906  0.455183  1
  Ni  Ni109  1  0.765274  0.500016  0.479677  1
  Ni  Ni110  1  0.098607  0.166683  0.479677  1
  Ni  Ni111  1  0.156713  0.509097  0.469233  1
  Ni  Ni112  1  0.373835  0.490979  0.490090  1
  Ni  Ni113  1  0.707168  0.157646  0.490090  1
  Ni  Ni114  1  0.040502  0.824313  0.490090  1
  Ni  Ni115  1  0.431941  0.833350  0.479677  1
  Ni  Ni116  1  0.490047  0.175764  0.469233  1
  Ni  Ni117  1  0.823380  0.842431  0.469233  1
  Ni  Ni118  1  0.780434  0.318405  0.496929  1
  Ni  Ni119  1  0.113768  0.985072  0.496929  1
  Ni  Ni120  1  0.171882  0.327499  0.486496  1
  Ni  Ni121  1  0.563322  0.336413  0.476057  1
  Ni  Ni122  1  0.896655  0.003080  0.476057  1
  Ni  Ni123  1  0.229989  0.669746  0.476057  1
  Ni  Ni124  1  0.447101  0.651738  0.496929  1
  Ni  Ni125  1  0.505216  0.994165  0.486496  1
  Ni  Ni126  1  0.838549  0.660832  0.486496  1
  Ni  Ni127  1  0.590982  0.472906  0.510951  1
  Ni  Ni128  1  0.924316  0.139573  0.510951  1
  Ni  Ni129  1  0.982431  0.482000  0.500517  1
  Ni  Ni130  1  0.199543  0.463992  0.521390  1
  Ni  Ni131  1  0.532876  0.130659  0.521390  1
  Ni  Ni132  1  0.866209  0.797325  0.521390  1
  Ni  Ni133  1  0.257649  0.806240  0.510951  1
  Ni  Ni134  1  0.315764  0.148667  0.500517  1
  Ni  Ni135  1  0.649097  0.815333  0.500517  1
  Ni  Ni136  1  0.606152  0.291308  0.528213  1
  Ni  Ni137  1  0.939485  0.957974  0.528213  1
  Ni  Ni138  1  0.997591  0.300389  0.517769  1
  Ni  Ni139  1  0.389030  0.309426  0.507357  1
  Ni  Ni140  1  0.722363  0.976092  0.507357  1
  Ni  Ni141  1  0.055696  0.642759  0.507357  1
  Ni  Ni142  1  0.272818  0.624641  0.528213  1
  Ni  Ni143  1  0.330924  0.967055  0.517769  1
  Ni  Ni144  1  0.664258  0.633722  0.517769  1
  Ni  Ni145  1  0.416714  0.445833  0.542263  1
  Ni  Ni146  1  0.750047  0.112499  0.542263  1
  Ni  Ni147  1  0.808149  0.454907  0.531808  1
  Ni  Ni148  1  0.025248  0.436890  0.552666  1
  Ni  Ni149  1  0.358581  0.103557  0.552666  1
  Ni  Ni150  1  0.691915  0.770223  0.552666  1
  Ni  Ni151  1  0.083381  0.779166  0.542263  1
  Ni  Ni152  1  0.141482  0.121574  0.531808  1
  Ni  Ni153  1  0.474816  0.788240  0.531808  1
  Ni  Ni154  1  0.431836  0.264375  0.559531  1
  Ni  Ni155  1  0.765169  0.931041  0.559531  1
  Ni  Ni156  1  0.823285  0.273291  0.549041  1
  Ni  Ni157  1  0.214779  0.282390  0.538624  1
  Ni  Ni158  1  0.548112  0.949057  0.538624  1
  Ni  Ni159  1  0.881446  0.615723  0.538624  1
  Ni  Ni160  1  0.098503  0.597708  0.559531  1
  Ni  Ni161  1  0.156618  0.939957  0.549041  1
  Ni  Ni162  1  0.489952  0.606624  0.549041  1
  Ni  Ni163  1  0.242237  0.418933  0.573566  1
  Ni  Ni164  1  0.575571  0.085599  0.573566  1
  Ni  Ni165  1  0.633851  0.427734  0.563106  1
  Ni  Ni166  1  0.850892  0.409762  0.583981  1
  Ni  Ni167  1  0.184226  0.076429  0.583981  1
  Ni  Ni168  1  0.517559  0.743096  0.583981  1
  Ni  Ni169  1  0.908904  0.752266  0.573566  1
  Ni  Ni170  1  0.967184  0.094401  0.563106  1
  Ni  Ni171  1  0.300518  0.761067  0.563106  1
  Ni  Ni172  1  0.257633  0.237294  0.590722  1
  Ni  Ni173  1  0.590967  0.903961  0.590722  1
  Ni  Ni174  1  0.648993  0.246116  0.580333  1
  Ni  Ni175  1  0.040448  0.255380  0.569859  1
  Ni  Ni176  1  0.373781  0.922046  0.569859  1
  Ni  Ni177  1  0.707114  0.588713  0.569859  1
  Ni  Ni178  1  0.924300  0.570627  0.590722  1
  Ni  Ni179  1  0.982326  0.912783  0.580333  1
  Ni  Ni180  1  0.315660  0.579450  0.580333  1
  Ni  Ni181  1  0.067670  0.392057  0.604912  1
  Ni  Ni182  1  0.401004  0.058724  0.604912  1
  Ni  Ni183  1  0.459535  0.400652  0.594493  1
  Ni  Ni184  1  0.676426  0.382405  0.615318  1
  Ni  Ni185  1  0.009759  0.049072  0.615318  1
  Ni  Ni186  1  0.343092  0.715739  0.615318  1
  Ni  Ni187  1  0.734337  0.725391  0.604912  1
  Ni  Ni188  1  0.792868  0.067318  0.594493  1
  Ni  Ni189  1  0.126201  0.733985  0.594493  1
  Ni  Ni190  1  0.083382  0.210760  0.621851  1
  Ni  Ni191  1  0.416715  0.877427  0.621851  1
  Ni  Ni192  1  0.474609  0.219454  0.611724  1
  Ni  Ni193  1  0.866106  0.228209  0.601083  1
  Ni  Ni194  1  0.199439  0.894876  0.601083  1
  Ni  Ni195  1  0.532772  0.561543  0.601083  1
  Ni  Ni196  1  0.750048  0.544093  0.621851  1
  Ni  Ni197  1  0.807942  0.886121  0.611724  1
  Ni  Ni198  1  0.141276  0.552788  0.611724  1
  Ni  Ni199  1  0.892857  0.364584  0.636295  1
  Ni  Ni200  1  0.226190  0.031250  0.636295  1
  Ni  Ni201  1  0.284705  0.373406  0.625680  1
  Ni  Ni202  1  0.501149  0.356019  0.647007  1
  Ni  Ni203  1  0.834482  0.022686  0.647007  1
  Ni  Ni204  1  0.167815  0.689352  0.647007  1
  Ni  Ni205  1  0.559524  0.697917  0.636295  1
  Ni  Ni206  1  0.618038  0.040073  0.625680  1
  Ni  Ni207  1  0.951372  0.706739  0.625680  1
  Ni  Ni208  1  0.909689  0.182929  0.652922  1
  Ni  Ni209  1  0.243023  0.849596  0.652922  1
  Ni  Ni210  1  0.300249  0.192343  0.643003  1
  Ni  Ni211  1  0.692021  0.200874  0.632455  1
  Ni  Ni212  1  0.025355  0.867541  0.632455  1
  Ni  Ni213  1  0.358688  0.534207  0.632455  1
  Ni  Ni214  1  0.576356  0.516263  0.652922  1
  Ni  Ni215  1  0.633582  0.859010  0.643003  1
  Ni  Ni216  1  0.966915  0.525676  0.643003  1
  Ni  Ni217  1  0.716262  0.336303  0.667509  1
  Ni  Ni218  1  0.049595  0.002970  0.667509  1
  Ni  Ni219  1  0.108717  0.347830  0.657380  1
  Ni  Ni220  1  0.327142  0.326326  0.677607  1
  Ni  Ni221  1  0.660476  0.992993  0.677607  1
  Ni  Ni222  1  0.993809  0.659659  0.677607  1
  Ni  Ni223  1  0.382928  0.669636  0.667509  1
  Ni  Ni224  1  0.442051  0.014496  0.657380  1
  Ni  Ni225  1  0.775384  0.681163  0.657380  1
  Ni  Ni226  1  0.736460  0.157317  0.684551  1
  Ni  Ni227  1  0.069794  0.823983  0.684551  1
  Ni  Ni228  1  0.125995  0.166739  0.673558  1
  Ni  Ni229  1  0.519735  0.173047  0.663555  1
  Ni  Ni230  1  0.853069  0.839713  0.663555  1
  Ni  Ni231  1  0.186402  0.506380  0.663555  1
  Ni  Ni232  1  0.403127  0.490650  0.684551  1
  Ni  Ni233  1  0.459328  0.833406  0.673558  1
  Ni  Ni234  1  0.792662  0.500072  0.673558  1
  Ni  Ni235  1  0.539449  0.310137  0.699205  1
  Ni  Ni236  1  0.872782  0.976804  0.699205  1
  Ni  Ni237  1  0.929792  0.321199  0.688491  1
  Ni  Ni238  1  0.151349  0.298058  0.708306  1
  Ni  Ni239  1  0.484682  0.964725  0.708306  1
  Ni  Ni240  1  0.818016  0.631392  0.708306  1
  Ni  Ni241  1  0.206115  0.643471  0.699205  1
  Ni  Ni242  1  0.263126  0.987865  0.688491  1
  Ni  Ni243  1  0.596459  0.654532  0.688491  1
  Ni  Ni244  1  0.563723  0.121941  0.714180  1
  Ni  Ni245  1  0.897056  0.788608  0.714180  1
  Ni  Ni246  1  0.956194  0.136731  0.704185  1
  Ni  Ni247  1  0.344939  0.146671  0.695044  1
  Ni  Ni248  1  0.678273  0.813337  0.695044  1
  Ni  Ni249  1  0.011606  0.480004  0.695044  1
  Ni  Ni250  1  0.230389  0.455274  0.714180  1
  Ni  Ni251  1  0.289528  0.803397  0.704185  1
  Ni  Ni252  1  0.622861  0.470064  0.704185  1
