# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.55095983
_cell_length_b   13.20888395
_cell_length_c   46.39096673
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   71.10894542
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   4957.55960302
_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  0.944484  0.696089  0.295835  1
  Ni  Ni2  1  0.444484  0.696089  0.295835  1
  Ni  Ni3  1  0.020889  0.037775  0.287732  1
  Ni  Ni4  1  0.108310  0.377675  0.280036  1
  Ni  Ni5  1  0.520889  0.037775  0.287732  1
  Ni  Ni6  1  0.608310  0.377675  0.280036  1
  Ni  Ni7  1  0.196761  0.537764  0.287732  1
  Ni  Ni8  1  0.696761  0.537764  0.287732  1
  Ni  Ni9  1  0.269451  0.877689  0.280034  1
  Ni  Ni10  1  0.114862  0.196084  0.295834  1
  Ni  Ni11  1  0.769451  0.877689  0.280034  1
  Ni  Ni12  1  0.614862  0.196084  0.295834  1
  Ni  Ni13  1  0.705163  0.678101  0.322373  1
  Ni  Ni14  1  0.205163  0.678101  0.322373  1
  Ni  Ni15  1  0.784389  0.017560  0.314040  1
  Ni  Ni16  1  0.868226  0.356163  0.305163  1
  Ni  Ni17  1  0.284389  0.017560  0.314040  1
  Ni  Ni18  1  0.368226  0.356163  0.305163  1
  Ni  Ni19  1  0.953482  0.517559  0.314040  1
  Ni  Ni20  1  0.453482  0.517559  0.314040  1
  Ni  Ni21  1  0.031054  0.856163  0.305160  1
  Ni  Ni22  1  0.872167  0.178104  0.322373  1
  Ni  Ni23  1  0.531054  0.856163  0.305160  1
  Ni  Ni24  1  0.372167  0.178104  0.322373  1
  Ni  Ni25  1  0.465411  0.658224  0.348961  1
  Ni  Ni26  1  0.965411  0.658224  0.348961  1
  Ni  Ni27  1  0.544728  0.997672  0.340313  1
  Ni  Ni28  1  0.627180  0.337172  0.331968  1
  Ni  Ni29  1  0.044728  0.997672  0.340313  1
  Ni  Ni30  1  0.127180  0.337172  0.331968  1
  Ni  Ni31  1  0.713033  0.497671  0.340313  1
  Ni  Ni32  1  0.213033  0.497671  0.340313  1
  Ni  Ni33  1  0.791085  0.837173  0.331967  1
  Ni  Ni34  1  0.631799  0.158225  0.348961  1
  Ni  Ni35  1  0.291085  0.837173  0.331967  1
  Ni  Ni36  1  0.131799  0.158225  0.348961  1
  Ni  Ni37  1  0.224643  0.638969  0.375149  1
  Ni  Ni38  1  0.724643  0.638969  0.375149  1
  Ni  Ni39  1  0.303986  0.978770  0.366543  1
  Ni  Ni40  1  0.385850  0.318448  0.357887  1
  Ni  Ni41  1  0.803986  0.978770  0.366543  1
  Ni  Ni42  1  0.885850  0.318448  0.357887  1
  Ni  Ni43  1  0.472679  0.478770  0.366543  1
  Ni  Ni44  1  0.972679  0.478770  0.366543  1
  Ni  Ni45  1  0.551139  0.818448  0.357885  1
  Ni  Ni46  1  0.391823  0.138969  0.375148  1
  Ni  Ni47  1  0.051139  0.818448  0.357885  1
  Ni  Ni48  1  0.891823  0.138969  0.375148  1
  Ni  Ni49  1  0.984225  0.619459  0.401620  1
  Ni  Ni50  1  0.484225  0.619459  0.401620  1
  Ni  Ni51  1  0.063697  0.959316  0.392892  1
  Ni  Ni52  1  0.144905  0.298951  0.384254  1
  Ni  Ni53  1  0.563697  0.959316  0.392892  1
  Ni  Ni54  1  0.644905  0.298951  0.384254  1
  Ni  Ni55  1  0.232423  0.459317  0.392892  1
  Ni  Ni56  1  0.732423  0.459317  0.392892  1
  Ni  Ni57  1  0.311582  0.798951  0.384253  1
  Ni  Ni58  1  0.151753  0.119459  0.401620  1
  Ni  Ni59  1  0.811582  0.798951  0.384253  1
  Ni  Ni60  1  0.651753  0.119459  0.401620  1
  Ni  Ni61  1  0.743830  0.600129  0.427940  1
  Ni  Ni62  1  0.243830  0.600129  0.427940  1
  Ni  Ni63  1  0.823512  0.939897  0.419221  1
  Ni  Ni64  1  0.904240  0.279571  0.410485  1
  Ni  Ni65  1  0.323512  0.939897  0.419221  1
  Ni  Ni66  1  0.404240  0.279571  0.410485  1
  Ni  Ni67  1  0.992029  0.439898  0.419221  1
  Ni  Ni68  1  0.492029  0.439898  0.419221  1
  Ni  Ni69  1  0.071627  0.779572  0.410484  1
  Ni  Ni70  1  0.911480  0.100129  0.427940  1
  Ni  Ni71  1  0.571627  0.779572  0.410484  1
  Ni  Ni72  1  0.411480  0.100129  0.427940  1
  Ni  Ni73  1  0.503486  0.580723  0.454309  1
  Ni  Ni74  1  0.003486  0.580723  0.454309  1
  Ni  Ni75  1  0.583252  0.920514  0.445550  1
  Ni  Ni76  1  0.663744  0.260253  0.436828  1
  Ni  Ni77  1  0.083252  0.920514  0.445550  1
  Ni  Ni78  1  0.163744  0.260253  0.436828  1
  Ni  Ni79  1  0.751674  0.420515  0.445550  1
  Ni  Ni80  1  0.251674  0.420515  0.445550  1
  Ni  Ni81  1  0.831443  0.760253  0.436827  1
  Ni  Ni82  1  0.671232  0.080723  0.454308  1
  Ni  Ni83  1  0.331443  0.760253  0.436827  1
  Ni  Ni84  1  0.171232  0.080723  0.454308  1
  Ni  Ni85  1  0.263133  0.561361  0.480644  1
  Ni  Ni86  1  0.763133  0.561361  0.480644  1
  Ni  Ni87  1  0.342989  0.901140  0.471892  1
  Ni  Ni88  1  0.423366  0.240892  0.463136  1
  Ni  Ni89  1  0.842989  0.901140  0.471892  1
  Ni  Ni90  1  0.923366  0.240892  0.463136  1
  Ni  Ni91  1  0.511313  0.401140  0.471892  1
  Ni  Ni92  1  0.011313  0.401140  0.471892  1
  Ni  Ni93  1  0.591183  0.740893  0.463135  1
  Ni  Ni94  1  0.430949  0.061361  0.480644  1
  Ni  Ni95  1  0.091183  0.740893  0.463135  1
  Ni  Ni96  1  0.930949  0.061361  0.480644  1
  Ni  Ni97  1  0.022805  0.541992  0.506982  1
  Ni  Ni98  1  0.522805  0.541992  0.506982  1
  Ni  Ni99  1  0.102690  0.881762  0.498226  1
  Ni  Ni100  1  0.183035  0.221532  0.489471  1
  Ni  Ni101  1  0.602690  0.881762  0.498226  1
  Ni  Ni102  1  0.683035  0.221532  0.489471  1
  Ni  Ni103  1  0.270991  0.381762  0.498226  1
  Ni  Ni104  1  0.770991  0.381762  0.498226  1
  Ni  Ni105  1  0.350876  0.721533  0.489470  1
  Ni  Ni106  1  0.190646  0.041992  0.506981  1
  Ni  Ni107  1  0.850876  0.721533  0.489470  1
  Ni  Ni108  1  0.690646  0.041992  0.506981  1
  Ni  Ni109  1  0.782499  0.522632  0.533317  1
  Ni  Ni110  1  0.282499  0.522632  0.533317  1
  Ni  Ni111  1  0.862369  0.862384  0.524560  1
  Ni  Ni112  1  0.942733  0.202164  0.515808  1
  Ni  Ni113  1  0.362369  0.862384  0.524560  1
  Ni  Ni114  1  0.442733  0.202164  0.515808  1
  Ni  Ni115  1  0.030692  0.362385  0.524561  1
  Ni  Ni116  1  0.530692  0.362385  0.524561  1
  Ni  Ni117  1  0.110549  0.702164  0.515808  1
  Ni  Ni118  1  0.950315  0.022632  0.533316  1
  Ni  Ni119  1  0.610549  0.702164  0.515808  1
  Ni  Ni120  1  0.450315  0.022632  0.533316  1
  Ni  Ni121  1  0.542238  0.503272  0.559625  1
  Ni  Ni122  1  0.042238  0.503272  0.559625  1
  Ni  Ni123  1  0.622008  0.843010  0.550902  1
  Ni  Ni124  1  0.702449  0.182802  0.542144  1
  Ni  Ni125  1  0.122008  0.843010  0.550902  1
  Ni  Ni126  1  0.202449  0.182802  0.542144  1
  Ni  Ni127  1  0.790429  0.343010  0.550902  1
  Ni  Ni128  1  0.290429  0.343010  0.550902  1
  Ni  Ni129  1  0.870195  0.682802  0.542143  1
  Ni  Ni130  1  0.709937  0.003272  0.559625  1
  Ni  Ni131  1  0.370195  0.682802  0.542143  1
  Ni  Ni132  1  0.209937  0.003272  0.559625  1
  Ni  Ni133  1  0.302054  0.483953  0.585968  1
  Ni  Ni134  1  0.802054  0.483953  0.585968  1
  Ni  Ni135  1  0.381653  0.823627  0.577231  1
  Ni  Ni136  1  0.462202  0.163395  0.568512  1
  Ni  Ni137  1  0.881653  0.823627  0.577231  1
  Ni  Ni138  1  0.962202  0.163395  0.568512  1
  Ni  Ni139  1  0.550169  0.323627  0.577231  1
  Ni  Ni140  1  0.050169  0.323627  0.577231  1
  Ni  Ni141  1  0.629851  0.663395  0.568512  1
  Ni  Ni142  1  0.469441  0.983953  0.585967  1
  Ni  Ni143  1  0.129851  0.663395  0.568512  1
  Ni  Ni144  1  0.969441  0.983953  0.585967  1
  Ni  Ni145  1  0.062099  0.464574  0.612199  1
  Ni  Ni146  1  0.562099  0.464574  0.612199  1
  Ni  Ni147  1  0.141258  0.804208  0.603560  1
  Ni  Ni148  1  0.221928  0.144066  0.594832  1
  Ni  Ni149  1  0.641258  0.804208  0.603560  1
  Ni  Ni150  1  0.721928  0.144066  0.594832  1
  Ni  Ni151  1  0.309984  0.304208  0.603560  1
  Ni  Ni152  1  0.809984  0.304208  0.603560  1
  Ni  Ni153  1  0.389456  0.644066  0.594832  1
  Ni  Ni154  1  0.228777  0.964574  0.612198  1
  Ni  Ni155  1  0.889456  0.644066  0.594832  1
  Ni  Ni156  1  0.728777  0.964574  0.612198  1
  Ni  Ni157  1  0.822542  0.445077  0.638567  1
  Ni  Ni158  1  0.322542  0.445077  0.638567  1
  Ni  Ni159  1  0.901002  0.784754  0.629909  1
  Ni  Ni160  1  0.981858  0.124556  0.621304  1
  Ni  Ni161  1  0.401002  0.784754  0.629909  1
  Ni  Ni162  1  0.481858  0.124556  0.621304  1
  Ni  Ni163  1  0.069696  0.284754  0.629909  1
  Ni  Ni164  1  0.569696  0.284754  0.629909  1
  Ni  Ni165  1  0.149038  0.624555  0.621303  1
  Ni  Ni166  1  0.987831  0.945077  0.638566  1
  Ni  Ni167  1  0.649038  0.624555  0.621303  1
  Ni  Ni168  1  0.487831  0.945077  0.638566  1
  Ni  Ni169  1  0.582596  0.426352  0.664486  1
  Ni  Ni170  1  0.082596  0.426352  0.664486  1
  Ni  Ni171  1  0.660648  0.765853  0.656139  1
  Ni  Ni172  1  0.741882  0.105300  0.647491  1
  Ni  Ni173  1  0.160648  0.765853  0.656139  1
  Ni  Ni174  1  0.241882  0.105300  0.647491  1
  Ni  Ni175  1  0.828953  0.265853  0.656139  1
  Ni  Ni176  1  0.328953  0.265853  0.656139  1
  Ni  Ni177  1  0.908271  0.605301  0.647491  1
  Ni  Ni178  1  0.746502  0.926353  0.664484  1
  Ni  Ni179  1  0.408271  0.605301  0.647491  1
  Ni  Ni180  1  0.246502  0.926353  0.664484  1
  Ni  Ni181  1  0.342627  0.407362  0.691292  1
  Ni  Ni182  1  0.842627  0.407362  0.691292  1
  Ni  Ni183  1  0.420199  0.745966  0.682412  1
  Ni  Ni184  1  0.501514  0.085421  0.674079  1
  Ni  Ni185  1  0.920199  0.745966  0.682412  1
  Ni  Ni186  1  0.001514  0.085421  0.674079  1
  Ni  Ni187  1  0.589292  0.245965  0.682412  1
  Ni  Ni188  1  0.089292  0.245965  0.682412  1
  Ni  Ni189  1  0.668518  0.585424  0.674079  1
  Ni  Ni190  1  0.505455  0.907362  0.691290  1
  Ni  Ni191  1  0.168518  0.585424  0.674079  1
  Ni  Ni192  1  0.005455  0.907362  0.691290  1
  Ni  Ni193  1  0.104231  0.385836  0.716418  1
  Ni  Ni194  1  0.604231  0.385836  0.716418  1
  Ni  Ni195  1  0.176921  0.725760  0.708720  1
  Ni  Ni196  1  0.258819  0.067441  0.700618  1
  Ni  Ni197  1  0.676921  0.725760  0.708720  1
  Ni  Ni198  1  0.758819  0.067441  0.700618  1
  Ni  Ni199  1  0.352792  0.225749  0.708720  1
  Ni  Ni200  1  0.852792  0.225749  0.708720  1
  Ni  Ni201  1  0.429197  0.567435  0.700617  1
  Ni  Ni202  1  0.265371  0.885850  0.716416  1
  Ni  Ni203  1  0.929197  0.567435  0.700617  1
  Ni  Ni204  1  0.765371  0.885850  0.716416  1
