# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.56677594
_cell_length_b   13.28111968
_cell_length_c   46.41866681
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.85422195
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni204
_cell_volume   4997.97098305
_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  0.636105  0.697088  0.296326  1
  Ni  Ni2  1  0.136105  0.697088  0.296326  1
  Ni  Ni3  1  0.053634  0.036851  0.288386  1
  Ni  Ni4  1  0.484372  0.382902  0.280953  1
  Ni  Ni5  1  0.553634  0.036851  0.288386  1
  Ni  Ni6  1  0.984372  0.382902  0.280953  1
  Ni  Ni7  1  0.738678  0.536939  0.288385  1
  Ni  Ni8  1  0.238678  0.536939  0.288385  1
  Ni  Ni9  1  0.153779  0.882804  0.280958  1
  Ni  Ni10  1  0.316320  0.197142  0.296333  1
  Ni  Ni11  1  0.653779  0.882804  0.280958  1
  Ni  Ni12  1  0.816320  0.197142  0.296333  1
  Ni  Ni13  1  0.379874  0.678944  0.322843  1
  Ni  Ni14  1  0.879874  0.678944  0.322843  1
  Ni  Ni15  1  0.798005  0.017997  0.314881  1
  Ni  Ni16  1  0.220099  0.356177  0.305908  1
  Ni  Ni17  1  0.298005  0.017997  0.314881  1
  Ni  Ni18  1  0.720099  0.356177  0.305908  1
  Ni  Ni19  1  0.475328  0.518004  0.314886  1
  Ni  Ni20  1  0.975328  0.518004  0.314886  1
  Ni  Ni21  1  0.891329  0.856161  0.305921  1
  Ni  Ni22  1  0.054381  0.178921  0.322843  1
  Ni  Ni23  1  0.391329  0.856161  0.305921  1
  Ni  Ni24  1  0.554381  0.178921  0.322843  1
  Ni  Ni25  1  0.122690  0.659016  0.349215  1
  Ni  Ni26  1  0.622690  0.659016  0.349215  1
  Ni  Ni27  1  0.540307  0.997451  0.340425  1
  Ni  Ni28  1  0.960898  0.338113  0.332295  1
  Ni  Ni29  1  0.040307  0.997451  0.340425  1
  Ni  Ni30  1  0.460898  0.338113  0.332295  1
  Ni  Ni31  1  0.212452  0.497456  0.340423  1
  Ni  Ni32  1  0.712452  0.497456  0.340423  1
  Ni  Ni33  1  0.632500  0.838105  0.332302  1
  Ni  Ni34  1  0.791624  0.159003  0.349216  1
  Ni  Ni35  1  0.132500  0.838105  0.332302  1
  Ni  Ni36  1  0.291624  0.159003  0.349216  1
  Ni  Ni37  1  0.863084  0.639108  0.375561  1
  Ni  Ni38  1  0.363084  0.639108  0.375561  1
  Ni  Ni39  1  0.282131  0.979126  0.367160  1
  Ni  Ni40  1  0.702601  0.318937  0.358377  1
  Ni  Ni41  1  0.782131  0.979126  0.367160  1
  Ni  Ni42  1  0.202601  0.318937  0.358377  1
  Ni  Ni43  1  0.952290  0.479128  0.367162  1
  Ni  Ni44  1  0.452290  0.479128  0.367162  1
  Ni  Ni45  1  0.371619  0.818933  0.358387  1
  Ni  Ni46  1  0.531309  0.139109  0.375563  1
  Ni  Ni47  1  0.871619  0.818933  0.358387  1
  Ni  Ni48  1  0.031309  0.139109  0.375563  1
  Ni  Ni49  1  0.603774  0.620071  0.402105  1
  Ni  Ni50  1  0.103774  0.620071  0.402105  1
  Ni  Ni51  1  0.023094  0.959785  0.393377  1
  Ni  Ni52  1  0.443191  0.299309  0.384747  1
  Ni  Ni53  1  0.523094  0.959785  0.393377  1
  Ni  Ni54  1  0.943191  0.299309  0.384747  1
  Ni  Ni55  1  0.691965  0.459781  0.393377  1
  Ni  Ni56  1  0.191965  0.459781  0.393377  1
  Ni  Ni57  1  0.111385  0.799305  0.384753  1
  Ni  Ni58  1  0.271566  0.120068  0.402107  1
  Ni  Ni59  1  0.611385  0.799305  0.384753  1
  Ni  Ni60  1  0.771566  0.120068  0.402107  1
  Ni  Ni61  1  0.344144  0.600645  0.428433  1
  Ni  Ni62  1  0.844144  0.600645  0.428433  1
  Ni  Ni63  1  0.763618  0.940378  0.419767  1
  Ni  Ni64  1  0.183541  0.280029  0.410986  1
  Ni  Ni65  1  0.263618  0.940378  0.419767  1
  Ni  Ni66  1  0.683541  0.280029  0.410986  1
  Ni  Ni67  1  0.432019  0.440377  0.419768  1
  Ni  Ni68  1  0.932019  0.440377  0.419768  1
  Ni  Ni69  1  0.851745  0.780025  0.410991  1
  Ni  Ni70  1  0.011753  0.100645  0.428436  1
  Ni  Ni71  1  0.351745  0.780025  0.410991  1
  Ni  Ni72  1  0.511753  0.100645  0.428436  1
  Ni  Ni73  1  0.084414  0.581277  0.454828  1
  Ni  Ni74  1  0.584414  0.581277  0.454828  1
  Ni  Ni75  1  0.504015  0.921038  0.446077  1
  Ni  Ni76  1  0.923966  0.260787  0.437359  1
  Ni  Ni77  1  0.004015  0.921038  0.446077  1
  Ni  Ni78  1  0.423966  0.260787  0.437359  1
  Ni  Ni79  1  0.172264  0.421037  0.446078  1
  Ni  Ni80  1  0.672264  0.421037  0.446078  1
  Ni  Ni81  1  0.592063  0.760784  0.437364  1
  Ni  Ni82  1  0.752099  0.081275  0.454831  1
  Ni  Ni83  1  0.092063  0.760784  0.437364  1
  Ni  Ni84  1  0.252099  0.081275  0.454831  1
  Ni  Ni85  1  0.824668  0.561925  0.481176  1
  Ni  Ni86  1  0.324668  0.561925  0.481176  1
  Ni  Ni87  1  0.244389  0.901696  0.472437  1
  Ni  Ni88  1  0.664330  0.241430  0.463665  1
  Ni  Ni89  1  0.744389  0.901696  0.472437  1
  Ni  Ni90  1  0.164330  0.241430  0.463665  1
  Ni  Ni91  1  0.912532  0.401694  0.472438  1
  Ni  Ni92  1  0.412532  0.401694  0.472438  1
  Ni  Ni93  1  0.332327  0.741427  0.463669  1
  Ni  Ni94  1  0.492476  0.061923  0.481179  1
  Ni  Ni95  1  0.832327  0.741427  0.463669  1
  Ni  Ni96  1  0.992476  0.061923  0.481179  1
  Ni  Ni97  1  0.564936  0.542578  0.507527  1
  Ni  Ni98  1  0.064936  0.542578  0.507527  1
  Ni  Ni99  1  0.984713  0.882332  0.498773  1
  Ni  Ni100  1  0.404694  0.222085  0.490016  1
  Ni  Ni101  1  0.484713  0.882332  0.498773  1
  Ni  Ni102  1  0.904694  0.222085  0.490016  1
  Ni  Ni103  1  0.652826  0.382330  0.498774  1
  Ni  Ni104  1  0.152826  0.382330  0.498774  1
  Ni  Ni105  1  0.072603  0.722083  0.490020  1
  Ni  Ni106  1  0.232845  0.042576  0.507530  1
  Ni  Ni107  1  0.572603  0.722083  0.490020  1
  Ni  Ni108  1  0.732845  0.042576  0.507530  1
  Ni  Ni109  1  0.305212  0.523234  0.533878  1
  Ni  Ni110  1  0.805212  0.523234  0.533878  1
  Ni  Ni111  1  0.725007  0.862967  0.525109  1
  Ni  Ni112  1  0.145063  0.202738  0.516367  1
  Ni  Ni113  1  0.225007  0.862967  0.525109  1
  Ni  Ni114  1  0.645063  0.202738  0.516367  1
  Ni  Ni115  1  0.393150  0.362965  0.525110  1
  Ni  Ni116  1  0.893150  0.362965  0.525110  1
  Ni  Ni117  1  0.812870  0.702737  0.516370  1
  Ni  Ni118  1  0.973208  0.023232  0.533882  1
  Ni  Ni119  1  0.312870  0.702737  0.516370  1
  Ni  Ni120  1  0.473208  0.023232  0.533882  1
  Ni  Ni121  1  0.045476  0.503877  0.560183  1
  Ni  Ni122  1  0.545476  0.503877  0.560183  1
  Ni  Ni123  1  0.465274  0.843625  0.551469  1
  Ni  Ni124  1  0.885440  0.183386  0.542716  1
  Ni  Ni125  1  0.965274  0.843625  0.551469  1
  Ni  Ni126  1  0.385440  0.183386  0.542716  1
  Ni  Ni127  1  0.133524  0.343623  0.551470  1
  Ni  Ni128  1  0.633524  0.343623  0.551470  1
  Ni  Ni129  1  0.553125  0.683384  0.542718  1
  Ni  Ni130  1  0.713572  0.003875  0.560187  1
  Ni  Ni131  1  0.053125  0.683384  0.542718  1
  Ni  Ni132  1  0.213572  0.003875  0.560187  1
  Ni  Ni133  1  0.785794  0.484636  0.586555  1
  Ni  Ni134  1  0.285794  0.484636  0.586555  1
  Ni  Ni135  1  0.205520  0.824285  0.577778  1
  Ni  Ni136  1  0.625785  0.164016  0.569111  1
  Ni  Ni137  1  0.705520  0.824285  0.577778  1
  Ni  Ni138  1  0.125785  0.164016  0.569111  1
  Ni  Ni139  1  0.873921  0.324284  0.577779  1
  Ni  Ni140  1  0.373921  0.324284  0.577779  1
  Ni  Ni141  1  0.293394  0.664016  0.569113  1
  Ni  Ni142  1  0.453998  0.984632  0.586561  1
  Ni  Ni143  1  0.793394  0.664016  0.569113  1
  Ni  Ni144  1  0.953998  0.984632  0.586561  1
  Ni  Ni145  1  0.526153  0.465357  0.612794  1
  Ni  Ni146  1  0.026153  0.465357  0.612794  1
  Ni  Ni147  1  0.945574  0.804881  0.604169  1
  Ni  Ni148  1  0.365972  0.144593  0.595439  1
  Ni  Ni149  1  0.445574  0.804881  0.604169  1
  Ni  Ni150  1  0.865972  0.144593  0.595439  1
  Ni  Ni151  1  0.614445  0.304876  0.604169  1
  Ni  Ni152  1  0.114445  0.304876  0.604169  1
  Ni  Ni153  1  0.033765  0.644590  0.595441  1
  Ni  Ni154  1  0.194347  0.965353  0.612799  1
  Ni  Ni155  1  0.533765  0.644590  0.595441  1
  Ni  Ni156  1  0.694347  0.965353  0.612799  1
  Ni  Ni157  1  0.265919  0.445728  0.639160  1
  Ni  Ni158  1  0.765919  0.445728  0.639160  1
  Ni  Ni159  1  0.685249  0.785533  0.630385  1
  Ni  Ni160  1  0.106229  0.125552  0.621984  1
  Ni  Ni161  1  0.185249  0.785533  0.630385  1
  Ni  Ni162  1  0.606229  0.125552  0.621984  1
  Ni  Ni163  1  0.355408  0.285535  0.630387  1
  Ni  Ni164  1  0.855408  0.285535  0.630387  1
  Ni  Ni165  1  0.774455  0.625553  0.621986  1
  Ni  Ni166  1  0.934938  0.945725  0.639170  1
  Ni  Ni167  1  0.274455  0.625553  0.621986  1
  Ni  Ni168  1  0.434938  0.945725  0.639170  1
  Ni  Ni169  1  0.005038  0.426557  0.665245  1
  Ni  Ni170  1  0.505038  0.426557  0.665245  1
  Ni  Ni171  1  0.425087  0.767206  0.657124  1
  Ni  Ni172  1  0.845914  0.105658  0.648330  1
  Ni  Ni173  1  0.925087  0.767206  0.657124  1
  Ni  Ni174  1  0.345914  0.105658  0.648330  1
  Ni  Ni175  1  0.097231  0.267211  0.657122  1
  Ni  Ni176  1  0.597231  0.267211  0.657122  1
  Ni  Ni177  1  0.514848  0.605646  0.648332  1
  Ni  Ni178  1  0.676641  0.926548  0.665251  1
  Ni  Ni179  1  0.014848  0.605646  0.648332  1
  Ni  Ni180  1  0.176641  0.926548  0.665251  1
  Ni  Ni181  1  0.746210  0.408501  0.691625  1
  Ni  Ni182  1  0.246210  0.408501  0.691625  1
  Ni  Ni183  1  0.162211  0.746658  0.682661  1
  Ni  Ni184  1  0.583158  0.085741  0.674704  1
  Ni  Ni185  1  0.662211  0.746658  0.682661  1
  Ni  Ni186  1  0.083158  0.085741  0.674704  1
  Ni  Ni187  1  0.839534  0.246664  0.682666  1
  Ni  Ni188  1  0.339534  0.246664  0.682666  1
  Ni  Ni189  1  0.257665  0.585717  0.674703  1
  Ni  Ni190  1  0.417439  0.908484  0.691639  1
  Ni  Ni191  1  0.757665  0.585717  0.674703  1
  Ni  Ni192  1  0.917439  0.908484  0.691639  1
  Ni  Ni193  1  0.483760  0.381857  0.716589  1
  Ni  Ni194  1  0.983760  0.381857  0.716589  1
  Ni  Ni195  1  0.898861  0.727722  0.709161  1
  Ni  Ni196  1  0.321219  0.067519  0.701213  1
  Ni  Ni197  1  0.398861  0.727722  0.709161  1
  Ni  Ni198  1  0.821219  0.067519  0.701213  1
  Ni  Ni199  1  0.583905  0.227811  0.709160  1
  Ni  Ni200  1  0.083905  0.227811  0.709160  1
  Ni  Ni201  1  1.001433  0.567574  0.701221  1
  Ni  Ni202  1  0.153167  0.881759  0.716594  1
  Ni  Ni203  1  0.501433  0.567574  0.701221  1
  Ni  Ni204  1  0.653167  0.881759  0.716594  1
