# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.08850915
_cell_length_b   11.08815358
_cell_length_c   47.87369439
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5856.61846338
_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  0.101126  0.432892  0.291680  1
  Ni  Ni2  1  0.435576  0.102032  0.292416  1
  Ni  Ni3  1  0.405988  0.405200  0.315561  1
  Ni  Ni4  1  0.768685  0.773352  0.292258  1
  Ni  Ni5  1  0.738823  0.071021  0.315229  1
  Ni  Ni6  1  0.707606  0.374370  0.337451  1
  Ni  Ni7  1  0.071244  0.737880  0.315640  1
  Ni  Ni8  1  0.133646  0.134498  0.272325  1
  Ni  Ni9  1  0.467582  0.800211  0.271545  1
  Ni  Ni10  1  0.873663  0.207268  0.337268  1
  Ni  Ni11  1  0.300542  0.968216  0.271421  1
  Ni  Ni12  1  0.270252  0.268505  0.292476  1
  Ni  Ni13  1  0.634855  0.634204  0.272343  1
  Ni  Ni14  1  0.603514  0.935878  0.292161  1
  Ni  Ni15  1  0.572307  0.238901  0.315749  1
  Ni  Ni16  1  0.932422  0.602117  0.291730  1
  Ni  Ni17  1  0.904053  0.906573  0.315264  1
  Ni  Ni18  1  0.237750  0.570802  0.315447  1
  Ni  Ni19  1  0.069228  0.238153  0.314986  1
  Ni  Ni20  1  0.405414  0.905145  0.315578  1
  Ni  Ni21  1  0.468204  0.300261  0.271507  1
  Ni  Ni22  1  0.738930  0.571921  0.315249  1
  Ni  Ni23  1  0.707222  0.874440  0.337531  1
  Ni  Ni24  1  0.770379  0.271157  0.292314  1
  Ni  Ni25  1  0.133510  0.635175  0.271622  1
  Ni  Ni26  1  0.103663  0.935451  0.292642  1
  Ni  Ni27  1  0.435637  0.601974  0.292384  1
  Ni  Ni28  1  0.903917  0.404796  0.314174  1
  Ni  Ni29  1  0.238953  0.071828  0.315818  1
  Ni  Ni30  1  0.301211  0.467747  0.271447  1
  Ni  Ni31  1  0.571546  0.739015  0.315803  1
  Ni  Ni32  1  0.634308  0.133907  0.272355  1
  Ni  Ni33  1  0.604284  0.435507  0.292201  1
  Ni  Ni34  1  0.967811  0.802637  0.272224  1
  Ni  Ni35  1  0.932780  0.100246  0.291750  1
  Ni  Ni36  1  0.268898  0.768661  0.292349  1
  Ni  Ni37  1  0.009779  0.344260  0.359340  1
  Ni  Ni38  1  0.344017  0.010897  0.359809  1
  Ni  Ni39  1  0.313122  0.313541  0.381716  1
  Ni  Ni40  1  0.677692  0.676994  0.359690  1
  Ni  Ni41  1  0.646523  0.980171  0.381897  1
  Ni  Ni42  1  0.616281  0.282968  0.404149  1
  Ni  Ni43  1  0.979925  0.646654  0.381568  1
  Ni  Ni44  1  0.040770  0.041393  0.337088  1
  Ni  Ni45  1  0.374121  0.707454  0.337156  1
  Ni  Ni46  1  0.782872  0.116328  0.404166  1
  Ni  Ni47  1  0.207821  0.874269  0.337252  1
  Ni  Ni48  1  0.176672  0.177977  0.359531  1
  Ni  Ni49  1  0.541334  0.541136  0.337174  1
  Ni  Ni50  1  0.510348  0.844054  0.359843  1
  Ni  Ni51  1  0.480071  0.146856  0.381834  1
  Ni  Ni52  1  0.844290  0.510349  0.359459  1
  Ni  Ni53  1  0.813498  0.813328  0.381814  1
  Ni  Ni54  1  0.146250  0.479926  0.381534  1
  Ni  Ni55  1  0.979928  0.146947  0.381741  1
  Ni  Ni56  1  0.313163  0.813338  0.381775  1
  Ni  Ni57  1  0.374812  0.207985  0.337272  1
  Ni  Ni58  1  0.646862  0.480234  0.381838  1
  Ni  Ni59  1  0.616285  0.782816  0.404116  1
  Ni  Ni60  1  0.677380  0.176937  0.359707  1
  Ni  Ni61  1  0.040367  0.540687  0.336725  1
  Ni  Ni62  1  0.010313  0.844427  0.359574  1
  Ni  Ni63  1  0.343874  0.510529  0.359647  1
  Ni  Ni64  1  0.813334  0.313385  0.381824  1
  Ni  Ni65  1  0.146508  0.980391  0.381712  1
  Ni  Ni66  1  0.207326  0.374101  0.336944  1
  Ni  Ni67  1  0.480013  0.646645  0.381748  1
  Ni  Ni68  1  0.541056  0.041139  0.337208  1
  Ni  Ni69  1  0.510773  0.344209  0.359834  1
  Ni  Ni70  1  0.874241  0.708152  0.337031  1
  Ni  Ni71  1  0.843887  0.010726  0.359814  1
  Ni  Ni72  1  0.177042  0.677086  0.359627  1
  Ni  Ni73  1  0.918962  0.252455  0.426313  1
  Ni  Ni74  1  0.252129  0.919160  0.426260  1
  Ni  Ni75  1  0.221636  0.222041  0.448534  1
  Ni  Ni76  1  0.585664  0.585766  0.426306  1
  Ni  Ni77  1  0.555104  0.888547  0.448569  1
  Ni  Ni78  1  0.524507  0.191448  0.470801  1
  Ni  Ni79  1  0.888509  0.555194  0.448548  1
  Ni  Ni80  1  0.949586  0.949679  0.404122  1
  Ni  Ni81  1  0.282663  0.616167  0.404041  1
  Ni  Ni82  1  0.691236  0.024718  0.470803  1
  Ni  Ni83  1  0.116001  0.782990  0.404018  1
  Ni  Ni84  1  0.085555  0.085881  0.426280  1
  Ni  Ni85  1  0.449465  0.449688  0.404127  1
  Ni  Ni86  1  0.418893  0.752352  0.426269  1
  Ni  Ni87  1  0.388307  0.055352  0.448565  1
  Ni  Ni88  1  0.752357  0.419100  0.426330  1
  Ni  Ni89  1  0.721864  0.721848  0.448555  1
  Ni  Ni90  1  0.055045  0.388615  0.448530  1
  Ni  Ni91  1  0.888486  0.055251  0.448591  1
  Ni  Ni92  1  0.221685  0.721896  0.448517  1
  Ni  Ni93  1  0.282582  0.116581  0.404071  1
  Ni  Ni94  1  0.555085  0.388636  0.448582  1
  Ni  Ni95  1  0.524535  0.691397  0.470789  1
  Ni  Ni96  1  0.585594  0.085821  0.426351  1
  Ni  Ni97  1  0.949458  0.449580  0.403999  1
  Ni  Ni98  1  0.919065  0.752301  0.426258  1
  Ni  Ni99  1  0.252071  0.419125  0.426214  1
  Ni  Ni100  1  0.721789  0.221955  0.448603  1
  Ni  Ni101  1  0.055127  0.888561  0.448555  1
  Ni  Ni102  1  0.115850  0.283160  0.403984  1
  Ni  Ni103  1  0.388342  0.555269  0.448552  1
  Ni  Ni104  1  0.449381  0.949692  0.404178  1
  Ni  Ni105  1  0.418863  0.252527  0.426286  1
  Ni  Ni106  1  0.783103  0.616121  0.404065  1
  Ni  Ni107  1  0.752365  0.919049  0.426320  1
  Ni  Ni108  1  0.085520  0.585687  0.426179  1
  Ni  Ni109  1  0.827377  0.160882  0.493049  1
  Ni  Ni110  1  0.160745  0.827514  0.493045  1
  Ni  Ni111  1  0.130237  0.130316  0.515295  1
  Ni  Ni112  1  0.493986  0.494264  0.493055  1
  Ni  Ni113  1  0.463506  0.797021  0.515302  1
  Ni  Ni114  1  0.433031  0.099810  0.537547  1
  Ni  Ni115  1  0.796793  0.463749  0.515289  1
  Ni  Ni116  1  0.857956  0.858005  0.470787  1
  Ni  Ni117  1  0.191175  0.524728  0.470756  1
  Ni  Ni118  1  0.599624  0.933160  0.537528  1
  Ni  Ni119  1  0.024603  0.691335  0.470766  1
  Ni  Ni120  1  0.994089  0.994174  0.493050  1
  Ni  Ni121  1  0.357818  0.358112  0.470774  1
  Ni  Ni122  1  0.327345  0.660894  0.493048  1
  Ni  Ni123  1  0.296898  0.963657  0.515299  1
  Ni  Ni124  1  0.660667  0.327597  0.493053  1
  Ni  Ni125  1  0.630112  0.630417  0.515299  1
  Ni  Ni126  1  0.963514  0.297026  0.515287  1
  Ni  Ni127  1  0.796812  0.963694  0.515273  1
  Ni  Ni128  1  0.130203  0.630352  0.515284  1
  Ni  Ni129  1  0.191214  0.024749  0.470787  1
  Ni  Ni130  1  0.463506  0.297031  0.515292  1
  Ni  Ni131  1  0.432994  0.599881  0.537575  1
  Ni  Ni132  1  0.494005  0.994213  0.493040  1
  Ni  Ni133  1  0.857917  0.358085  0.470814  1
  Ni  Ni134  1  0.827386  0.660872  0.493035  1
  Ni  Ni135  1  0.160706  0.327557  0.493039  1
  Ni  Ni136  1  0.630137  0.130362  0.515283  1
  Ni  Ni137  1  0.963523  0.797019  0.515278  1
  Ni  Ni138  1  0.024581  0.191413  0.470804  1
  Ni  Ni139  1  0.296861  0.463690  0.515289  1
  Ni  Ni140  1  0.357854  0.858053  0.470772  1
  Ni  Ni141  1  0.327343  0.160906  0.493044  1
  Ni  Ni142  1  0.691231  0.524761  0.470806  1
  Ni  Ni143  1  0.660693  0.827528  0.493032  1
  Ni  Ni144  1  0.994055  0.494204  0.493039  1
  Ni  Ni145  1  0.735689  0.069355  0.559774  1
  Ni  Ni146  1  0.069113  0.736045  0.559771  1
  Ni  Ni147  1  0.038576  0.038797  0.581984  1
  Ni  Ni148  1  0.402611  0.402554  0.559799  1
  Ni  Ni149  1  0.372017  0.705548  0.582116  1
  Ni  Ni150  1  0.341849  0.008077  0.604362  1
  Ni  Ni151  1  0.705220  0.372130  0.581983  1
  Ni  Ni152  1  0.766234  0.766548  0.537508  1
  Ni  Ni153  1  0.099669  0.433143  0.537520  1
  Ni  Ni154  1  0.508223  0.841628  0.604463  1
  Ni  Ni155  1  0.932944  0.599864  0.537508  1
  Ni  Ni156  1  0.902324  0.902761  0.559753  1
  Ni  Ni157  1  0.266388  0.266450  0.537540  1
  Ni  Ni158  1  0.235861  0.569297  0.559784  1
  Ni  Ni159  1  0.205389  0.872162  0.582081  1
  Ni  Ni160  1  0.569187  0.235942  0.559806  1
  Ni  Ni161  1  0.538701  0.538825  0.582074  1
  Ni  Ni162  1  0.871775  0.205431  0.581930  1
  Ni  Ni163  1  0.705167  0.872138  0.582014  1
  Ni  Ni164  1  0.038524  0.538781  0.581957  1
  Ni  Ni165  1  0.099716  0.933143  0.537544  1
  Ni  Ni166  1  0.372105  0.205392  0.582057  1
  Ni  Ni167  1  0.341677  0.508042  0.604237  1
  Ni  Ni168  1  0.402601  0.902598  0.559839  1
  Ni  Ni169  1  0.766254  0.266522  0.537501  1
  Ni  Ni170  1  0.735664  0.569452  0.559791  1
  Ni  Ni171  1  0.069151  0.235918  0.559760  1
  Ni  Ni172  1  0.538716  0.038753  0.582050  1
  Ni  Ni173  1  0.871762  0.705579  0.581948  1
  Ni  Ni174  1  0.932968  0.099810  0.537504  1
  Ni  Ni175  1  0.205328  0.372005  0.581991  1
  Ni  Ni176  1  0.266376  0.766514  0.537572  1
  Ni  Ni177  1  0.235953  0.069225  0.559809  1
  Ni  Ni178  1  0.599609  0.433220  0.537537  1
  Ni  Ni179  1  0.569115  0.736035  0.559851  1
  Ni  Ni180  1  0.902353  0.402709  0.559751  1
  Ni  Ni181  1  0.644205  0.977598  0.626544  1
  Ni  Ni182  1  0.977293  0.644586  0.626314  1
  Ni  Ni183  1  0.946456  0.947971  0.648700  1
  Ni  Ni184  1  0.310943  0.311074  0.626513  1
  Ni  Ni185  1  0.280697  0.613268  0.648536  1
  Ni  Ni186  1  0.249843  0.917231  0.671249  1
  Ni  Ni187  1  0.614206  0.280706  0.649143  1
  Ni  Ni188  1  0.674738  0.675094  0.604423  1
  Ni  Ni189  1  0.007915  0.341568  0.604183  1
  Ni  Ni190  1  0.416369  0.749782  0.671172  1
  Ni  Ni191  1  0.841118  0.508538  0.604246  1
  Ni  Ni192  1  0.810762  0.811051  0.626449  1
  Ni  Ni193  1  0.174942  0.174792  0.604257  1
  Ni  Ni194  1  0.144111  0.477509  0.626380  1
  Ni  Ni195  1  0.113294  0.781325  0.648524  1
  Ni  Ni196  1  0.477872  0.144419  0.626552  1
  Ni  Ni197  1  0.447678  0.446807  0.648780  1
  Ni  Ni198  1  0.780103  0.114145  0.649048  1
  Ni  Ni199  1  0.613891  0.780618  0.649164  1
  Ni  Ni200  1  0.946303  0.447677  0.648547  1
  Ni  Ni201  1  0.007832  0.841934  0.604201  1
  Ni  Ni202  1  0.281297  0.113339  0.648755  1
  Ni  Ni203  1  0.249309  0.416638  0.671007  1
  Ni  Ni204  1  0.311027  0.811293  0.626690  1
  Ni  Ni205  1  0.674747  0.174943  0.604383  1
  Ni  Ni206  1  0.644514  0.477745  0.626518  1
  Ni  Ni207  1  0.977304  0.144389  0.626338  1
  Ni  Ni208  1  0.447389  0.947109  0.649186  1
  Ni  Ni209  1  0.780512  0.614344  0.649079  1
  Ni  Ni210  1  0.841053  0.008484  0.604280  1
  Ni  Ni211  1  0.113761  0.280391  0.648601  1
  Ni  Ni212  1  0.174772  0.674987  0.604231  1
  Ni  Ni213  1  0.144353  0.977910  0.626509  1
  Ni  Ni214  1  0.508439  0.341435  0.604360  1
  Ni  Ni215  1  0.477706  0.644513  0.626592  1
  Ni  Ni216  1  0.810671  0.310914  0.626371  1
  Ni  Ni217  1  0.553293  0.885796  0.694096  1
  Ni  Ni218  1  0.886319  0.552603  0.693891  1
  Ni  Ni219  1  0.857201  0.855150  0.715337  1
  Ni  Ni220  1  0.220531  0.218654  0.692785  1
  Ni  Ni221  1  0.184123  0.522291  0.715543  1
  Ni  Ni222  1  0.156584  0.823089  0.735420  1
  Ni  Ni223  1  0.520480  0.188113  0.715105  1
  Ni  Ni224  1  0.583634  0.583515  0.670831  1
  Ni  Ni225  1  0.916262  0.249670  0.670592  1
  Ni  Ni226  1  0.321315  0.655991  0.735535  1
  Ni  Ni227  1  0.750444  0.416526  0.670776  1
  Ni  Ni228  1  0.720572  0.719897  0.694232  1
  Ni  Ni229  1  0.083297  0.083788  0.670709  1
  Ni  Ni230  1  0.050779  0.386093  0.692500  1
  Ni  Ni231  1  0.020578  0.686711  0.715568  1
  Ni  Ni232  1  0.386275  0.053606  0.694117  1
  Ni  Ni233  1  0.354942  0.356666  0.715852  1
  Ni  Ni234  1  0.687724  0.020908  0.714980  1
  Ni  Ni235  1  0.521445  0.685870  0.715603  1
  Ni  Ni236  1  0.857359  0.354868  0.715353  1
  Ni  Ni237  1  0.916962  0.750211  0.670729  1
  Ni  Ni238  1  0.187320  0.024452  0.715972  1
  Ni  Ni239  1  0.155772  0.323413  0.734607  1
  Ni  Ni240  1  0.218451  0.719246  0.692153  1
  Ni  Ni241  1  0.583421  0.083528  0.670820  1
  Ni  Ni242  1  0.553036  0.386790  0.694049  1
  Ni  Ni243  1  0.885667  0.052580  0.693823  1
  Ni  Ni244  1  0.355562  0.855711  0.715852  1
  Ni  Ni245  1  0.688100  0.520124  0.715103  1
  Ni  Ni246  1  0.750172  0.916376  0.670780  1
  Ni  Ni247  1  0.019324  0.186187  0.715367  1
  Ni  Ni248  1  0.082868  0.583588  0.670522  1
  Ni  Ni249  1  0.051939  0.887575  0.692970  1
  Ni  Ni250  1  0.416785  0.250780  0.670842  1
  Ni  Ni251  1  0.385948  0.551362  0.692977  1
  Ni  Ni252  1  0.719951  0.220337  0.694255  1
