# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28291511
_cell_length_b   12.57234715
_cell_length_c   47.11774925
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   80.16903283
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2499.86063008
_cell_formula_units_Z   102
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  0.992536  0.144937  0.281883  1
  Ni  Ni2  1  0.837957  0.472178  0.290439  1
  Ni  Ni3  1  0.668968  0.804171  0.298407  1
  Ni  Ni4  1  0.427719  0.986674  0.278578  1
  Ni  Ni5  1  0.275514  0.307220  0.286152  1
  Ni  Ni6  1  0.108283  0.636916  0.294776  1
  Ni  Ni7  1  0.506988  0.134403  0.308475  1
  Ni  Ni8  1  0.343886  0.462777  0.316646  1
  Ni  Ni9  1  0.179050  0.794246  0.324725  1
  Ni  Ni10  1  0.939306  0.967980  0.303698  1
  Ni  Ni11  1  0.778205  0.298407  0.312546  1
  Ni  Ni12  1  0.613040  0.628054  0.320871  1
  Ni  Ni13  1  0.019381  0.122216  0.334002  1
  Ni  Ni14  1  0.854255  0.453735  0.342831  1
  Ni  Ni15  1  0.689242  0.783684  0.351151  1
  Ni  Ni16  1  0.444189  0.958690  0.330081  1
  Ni  Ni17  1  0.276764  0.288535  0.338654  1
  Ni  Ni18  1  0.113922  0.618737  0.347052  1
  Ni  Ni19  1  0.526062  0.113475  0.360697  1
  Ni  Ni20  1  0.361475  0.443628  0.369194  1
  Ni  Ni21  1  0.196167  0.773735  0.377644  1
  Ni  Ni22  1  0.946830  0.948393  0.356112  1
  Ni  Ni23  1  0.781375  0.278105  0.364909  1
  Ni  Ni24  1  0.617394  0.608764  0.373467  1
  Ni  Ni25  1  0.032255  0.103403  0.386879  1
  Ni  Ni26  1  0.867109  0.433577  0.395513  1
  Ni  Ni27  1  0.702182  0.763672  0.404103  1
  Ni  Ni28  1  0.451458  0.938366  0.382523  1
  Ni  Ni29  1  0.285864  0.268656  0.391317  1
  Ni  Ni30  1  0.121717  0.598749  0.399797  1
  Ni  Ni31  1  0.537515  0.093552  0.413262  1
  Ni  Ni32  1  0.372442  0.423770  0.421870  1
  Ni  Ni33  1  0.207547  0.753722  0.430490  1
  Ni  Ni34  1  0.956253  0.928528  0.408779  1
  Ni  Ni35  1  0.790869  0.258568  0.417580  1
  Ni  Ni36  1  0.626529  0.588748  0.426152  1
  Ni  Ni37  1  0.042701  0.083582  0.439550  1
  Ni  Ni38  1  0.877667  0.413734  0.448181  1
  Ni  Ni39  1  0.712665  0.743745  0.456879  1
  Ni  Ni40  1  0.461291  0.918560  0.435125  1
  Ni  Ni41  1  0.295938  0.248682  0.443921  1
  Ni  Ni42  1  0.131369  0.578828  0.452499  1
  Ni  Ni43  1  0.547730  0.073630  0.465890  1
  Ni  Ni44  1  0.382767  0.403802  0.474518  1
  Ni  Ni45  1  0.217715  0.733805  0.483243  1
  Ni  Ni46  1  0.966302  0.908629  0.461445  1
  Ni  Ni47  1  0.801055  0.238684  0.470226  1
  Ni  Ni48  1  0.636343  0.568826  0.478837  1
  Ni  Ni49  1  0.052739  0.063657  0.492213  1
  Ni  Ni50  1  0.887885  0.393806  0.500835  1
  Ni  Ni51  1  0.722721  0.723849  0.509596  1
  Ni  Ni52  1  0.471323  0.898687  0.487796  1
  Ni  Ni53  1  0.306159  0.228730  0.496557  1
  Ni  Ni54  1  0.141305  0.558879  0.505179  1
  Ni  Ni55  1  0.557701  0.053710  0.518555  1
  Ni  Ni56  1  0.392989  0.383852  0.527166  1
  Ni  Ni57  1  0.227742  0.713907  0.535947  1
  Ni  Ni58  1  0.976329  0.888731  0.514149  1
  Ni  Ni59  1  0.811277  0.218734  0.522874  1
  Ni  Ni60  1  0.646315  0.548906  0.531501  1
  Ni  Ni61  1  0.062675  0.043708  0.544893  1
  Ni  Ni62  1  0.898106  0.373854  0.553471  1
  Ni  Ni63  1  0.732754  0.703976  0.562267  1
  Ni  Ni64  1  0.481379  0.878791  0.540513  1
  Ni  Ni65  1  0.316377  0.208802  0.549211  1
  Ni  Ni66  1  0.151343  0.538954  0.557842  1
  Ni  Ni67  1  0.567516  0.033788  0.571240  1
  Ni  Ni68  1  0.403175  0.363968  0.579812  1
  Ni  Ni69  1  0.237791  0.694008  0.588613  1
  Ni  Ni70  1  0.986497  0.868814  0.566902  1
  Ni  Ni71  1  0.821602  0.198765  0.575522  1
  Ni  Ni72  1  0.656529  0.528984  0.584130  1
  Ni  Ni73  1  0.072327  0.023787  0.597595  1
  Ni  Ni74  1  0.908180  0.353880  0.606075  1
  Ni  Ni75  1  0.742586  0.684170  0.614869  1
  Ni  Ni76  1  0.491862  0.858864  0.593289  1
  Ni  Ni77  1  0.326935  0.188958  0.601879  1
  Ni  Ni78  1  0.161789  0.519133  0.610513  1
  Ni  Ni79  1  0.576651  0.013772  0.623925  1
  Ni  Ni80  1  0.412669  0.344431  0.632483  1
  Ni  Ni81  1  0.247215  0.674143  0.641280  1
  Ni  Ni82  1  0.997877  0.848801  0.619748  1
  Ni  Ni83  1  0.832569  0.178908  0.628198  1
  Ni  Ni84  1  0.667982  0.509061  0.636695  1
  Ni  Ni85  1  0.080122  0.003799  0.650340  1
  Ni  Ni86  1  0.917280  0.334001  0.658738  1
  Ni  Ni87  1  0.749856  0.663846  0.667311  1
  Ni  Ni88  1  0.504802  0.838852  0.646241  1
  Ni  Ni89  1  0.339789  0.168801  0.654561  1
  Ni  Ni90  1  0.174663  0.500320  0.663390  1
  Ni  Ni91  1  0.581004  0.994482  0.676521  1
  Ni  Ni92  1  0.415839  0.324129  0.684846  1
  Ni  Ni93  1  0.254738  0.654556  0.693694  1
  Ni  Ni94  1  0.014994  0.828290  0.672667  1
  Ni  Ni95  1  0.850158  0.159759  0.680746  1
  Ni  Ni96  1  0.687056  0.488133  0.688917  1
  Ni  Ni97  1  0.085761  0.985620  0.702616  1
  Ni  Ni98  1  0.918530  0.315316  0.711240  1
  Ni  Ni99  1  0.766325  0.635862  0.718814  1
  Ni  Ni100  1  0.525076  0.818365  0.698985  1
  Ni  Ni101  1  0.356087  0.150358  0.706953  1
  Ni  Ni102  1  0.201508  0.477598  0.715509  1
