# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28286159
_cell_length_b   12.57236029
_cell_length_c   47.11831169
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.83096720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2499.86184182
_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  0.137606  0.144887  0.281879  1
  Ni  Ni2  1  0.310223  0.472155  0.290433  1
  Ni  Ni3  1  0.473178  0.804138  0.298399  1
  Ni  Ni4  1  0.414396  0.986620  0.278576  1
  Ni  Ni5  1  0.582847  0.307244  0.286148  1
  Ni  Ni6  1  0.745323  0.636937  0.294771  1
  Ni  Ni7  1  0.641465  0.134398  0.308468  1
  Ni  Ni8  1  0.806754  0.462782  0.316640  1
  Ni  Ni9  1  0.973372  0.794250  0.324718  1
  Ni  Ni10  1  0.907283  0.967975  0.303701  1
  Ni  Ni11  1  0.076698  0.298392  0.312540  1
  Ni  Ni12  1  0.241185  0.628045  0.320865  1
  Ni  Ni13  1  0.141656  0.122214  0.333998  1
  Ni  Ni14  1  0.308065  0.453730  0.342824  1
  Ni  Ni15  1  0.472987  0.783684  0.351144  1
  Ni  Ni16  1  0.402916  0.958684  0.330079  1
  Ni  Ni17  1  0.565380  0.288529  0.338649  1
  Ni  Ni18  1  0.732741  0.618738  0.347047  1
  Ni  Ni19  1  0.639592  0.113473  0.360691  1
  Ni  Ni20  1  0.805165  0.443629  0.369187  1
  Ni  Ni21  1  0.969955  0.773734  0.377638  1
  Ni  Ni22  1  0.895269  0.948389  0.356111  1
  Ni  Ni23  1  0.059546  0.278105  0.364904  1
  Ni  Ni24  1  0.226229  0.608762  0.373461  1
  Ni  Ni25  1  0.135703  0.103403  0.386874  1
  Ni  Ni26  1  0.300737  0.433577  0.395507  1
  Ni  Ni27  1  0.465898  0.763671  0.404097  1
  Ni  Ni28  1  0.389867  0.938364  0.382519  1
  Ni  Ni29  1  0.554575  0.268654  0.391311  1
  Ni  Ni30  1  0.720525  0.598748  0.399792  1
  Ni  Ni31  1  0.631103  0.093551  0.413256  1
  Ni  Ni32  1  0.796253  0.423770  0.421863  1
  Ni  Ni33  1  0.961303  0.753722  0.430483  1
  Ni  Ni34  1  0.884820  0.928526  0.408776  1
  Ni  Ni35  1  0.049482  0.258568  0.417575  1
  Ni  Ni36  1  0.215324  0.588748  0.426147  1
  Ni  Ni37  1  0.126309  0.083582  0.439545  1
  Ni  Ni38  1  0.291431  0.413734  0.448174  1
  Ni  Ni39  1  0.456435  0.743745  0.456872  1
  Ni  Ni40  1  0.379881  0.918559  0.435121  1
  Ni  Ni41  1  0.544654  0.248681  0.443916  1
  Ni  Ni42  1  0.710233  0.578827  0.452494  1
  Ni  Ni43  1  0.621376  0.073630  0.465884  1
  Ni  Ni44  1  0.786587  0.403801  0.474512  1
  Ni  Ni45  1  0.951535  0.733804  0.483236  1
  Ni  Ni46  1  0.874953  0.908628  0.461441  1
  Ni  Ni47  1  0.039762  0.238683  0.470221  1
  Ni  Ni48  1  0.205194  0.568825  0.478831  1
  Ni  Ni49  1  0.116402  0.063657  0.492207  1
  Ni  Ni50  1  0.281698  0.393806  0.500829  1
  Ni  Ni51  1  0.446575  0.723848  0.509588  1
  Ni  Ni52  1  0.370024  0.898686  0.487792  1
  Ni  Ni53  1  0.534901  0.228729  0.496551  1
  Ni  Ni54  1  0.700198  0.558878  0.505173  1
  Ni  Ni55  1  0.611405  0.053710  0.518549  1
  Ni  Ni56  1  0.776837  0.383851  0.527159  1
  Ni  Ni57  1  0.941646  0.713907  0.535939  1
  Ni  Ni58  1  0.865064  0.888731  0.514144  1
  Ni  Ni59  1  0.030012  0.218734  0.522868  1
  Ni  Ni60  1  0.195223  0.548905  0.531496  1
  Ni  Ni61  1  0.106367  0.043708  0.544887  1
  Ni  Ni62  1  0.271946  0.373854  0.553464  1
  Ni  Ni63  1  0.436718  0.703976  0.562259  1
  Ni  Ni64  1  0.360164  0.878790  0.540508  1
  Ni  Ni65  1  0.525169  0.208801  0.549206  1
  Ni  Ni66  1  0.690290  0.538953  0.557836  1
  Ni  Ni67  1  0.601275  0.033787  0.571233  1
  Ni  Ni68  1  0.767117  0.363967  0.579805  1
  Ni  Ni69  1  0.931779  0.694008  0.588604  1
  Ni  Ni70  1  0.855296  0.868813  0.566897  1
  Ni  Ni71  1  0.020346  0.198765  0.575517  1
  Ni  Ni72  1  0.185496  0.528983  0.584124  1
  Ni  Ni73  1  0.096074  0.023787  0.597588  1
  Ni  Ni74  1  0.262024  0.353881  0.606069  1
  Ni  Ni75  1  0.426732  0.684171  0.614861  1
  Ni  Ni76  1  0.350702  0.858863  0.593283  1
  Ni  Ni77  1  0.515862  0.188958  0.601873  1
  Ni  Ni78  1  0.680896  0.519131  0.610506  1
  Ni  Ni79  1  0.590370  0.013773  0.623919  1
  Ni  Ni80  1  0.757054  0.344430  0.632476  1
  Ni  Ni81  1  0.921331  0.674146  0.641269  1
  Ni  Ni82  1  0.846644  0.848801  0.619742  1
  Ni  Ni83  1  0.011434  0.178906  0.628193  1
  Ni  Ni84  1  0.177007  0.509062  0.636690  1
  Ni  Ni85  1  0.083858  0.003797  0.650334  1
  Ni  Ni86  1  0.251219  0.334006  0.658731  1
  Ni  Ni87  1  0.413683  0.663851  0.667301  1
  Ni  Ni88  1  0.343612  0.838851  0.646236  1
  Ni  Ni89  1  0.508534  0.168805  0.654556  1
  Ni  Ni90  1  0.674943  0.500321  0.663382  1
  Ni  Ni91  1  0.575414  0.994489  0.676515  1
  Ni  Ni92  1  0.739901  0.324143  0.684841  1
  Ni  Ni93  1  0.909316  0.654560  0.693680  1
  Ni  Ni94  1  0.843227  0.828285  0.672662  1
  Ni  Ni95  1  0.009845  0.159753  0.680740  1
  Ni  Ni96  1  0.175134  0.488137  0.688912  1
  Ni  Ni97  1  0.071277  0.985598  0.702609  1
  Ni  Ni98  1  0.233753  0.315291  0.711232  1
  Ni  Ni99  1  0.402203  0.635915  0.718804  1
  Ni  Ni100  1  0.343421  0.818397  0.698981  1
  Ni  Ni101  1  0.506376  0.150380  0.706947  1
  Ni  Ni102  1  0.678993  0.477648  0.715501  1
