# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27442141
_cell_length_b   12.50009307
_cell_length_c   47.07968036
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.85184274
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni102
_cell_volume   2478.40381104
_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  0.151952  0.145533  0.281510  1
  Ni  Ni2  1  0.318986  0.473659  0.289950  1
  Ni  Ni3  1  0.484060  0.802649  0.297998  1
  Ni  Ni4  1  0.405281  0.980814  0.277883  1
  Ni  Ni5  1  0.578329  0.309053  0.285707  1
  Ni  Ni6  1  0.743888  0.638153  0.294072  1
  Ni  Ni7  1  0.652011  0.134210  0.307714  1
  Ni  Ni8  1  0.817758  0.463872  0.316173  1
  Ni  Ni9  1  0.982122  0.793840  0.324419  1
  Ni  Ni10  1  0.900271  0.967827  0.303049  1
  Ni  Ni11  1  0.068987  0.299195  0.311977  1
  Ni  Ni12  1  0.234915  0.628763  0.320358  1
  Ni  Ni13  1  0.147111  0.123340  0.333980  1
  Ni  Ni14  1  0.313383  0.453919  0.342675  1
  Ni  Ni15  1  0.477307  0.783748  0.351093  1
  Ni  Ni16  1  0.396255  0.958230  0.329830  1
  Ni  Ni17  1  0.562921  0.288809  0.338401  1
  Ni  Ni18  1  0.729508  0.618922  0.346886  1
  Ni  Ni19  1  0.641635  0.113807  0.360154  1
  Ni  Ni20  1  0.807569  0.443947  0.368775  1
  Ni  Ni21  1  0.971989  0.773969  0.377315  1
  Ni  Ni22  1  0.892805  0.948693  0.355731  1
  Ni  Ni23  1  0.059061  0.278783  0.364484  1
  Ni  Ni24  1  0.225116  0.608999  0.373039  1
  Ni  Ni25  1  0.136396  0.103777  0.386485  1
  Ni  Ni26  1  0.301977  0.433924  0.395162  1
  Ni  Ni27  1  0.466686  0.763816  0.403792  1
  Ni  Ni28  1  0.389134  0.938717  0.382120  1
  Ni  Ni29  1  0.554718  0.268880  0.390869  1
  Ni  Ni30  1  0.720521  0.598970  0.399446  1
  Ni  Ni31  1  0.631457  0.093822  0.412792  1
  Ni  Ni32  1  0.796840  0.423965  0.421465  1
  Ni  Ni33  1  0.961724  0.753924  0.430136  1
  Ni  Ni34  1  0.884719  0.928720  0.408359  1
  Ni  Ni35  1  0.049970  0.258876  0.417151  1
  Ni  Ni36  1  0.215569  0.588966  0.425776  1
  Ni  Ni37  1  0.126481  0.083831  0.439109  1
  Ni  Ni38  1  0.291791  0.413961  0.447798  1
  Ni  Ni39  1  0.456721  0.743936  0.456515  1
  Ni  Ni40  1  0.380088  0.918812  0.434704  1
  Ni  Ni41  1  0.545131  0.248904  0.443481  1
  Ni  Ni42  1  0.710594  0.578999  0.452127  1
  Ni  Ni43  1  0.621543  0.073880  0.465439  1
  Ni  Ni44  1  0.786815  0.403989  0.474123  1
  Ni  Ni45  1  0.951771  0.733990  0.482863  1
  Ni  Ni46  1  0.875245  0.908862  0.461021  1
  Ni  Ni47  1  0.040234  0.238918  0.469797  1
  Ni  Ni48  1  0.205585  0.569011  0.478466  1
  Ni  Ni49  1  0.116569  0.063903  0.491768  1
  Ni  Ni50  1  0.281858  0.394001  0.500448  1
  Ni  Ni51  1  0.446822  0.724030  0.509208  1
  Ni  Ni52  1  0.370347  0.898918  0.487363  1
  Ni  Ni53  1  0.535311  0.228948  0.496123  1
  Ni  Ni54  1  0.700601  0.559045  0.504804  1
  Ni  Ni55  1  0.611584  0.053938  0.518105  1
  Ni  Ni56  1  0.776935  0.384031  0.526774  1
  Ni  Ni57  1  0.941924  0.714086  0.535550  1
  Ni  Ni58  1  0.865398  0.888958  0.513709  1
  Ni  Ni59  1  0.030354  0.218960  0.522448  1
  Ni  Ni60  1  0.195627  0.549068  0.531133  1
  Ni  Ni61  1  0.106576  0.043949  0.544445  1
  Ni  Ni62  1  0.272038  0.374044  0.553090  1
  Ni  Ni63  1  0.437081  0.704136  0.561867  1
  Ni  Ni64  1  0.360448  0.879012  0.540057  1
  Ni  Ni65  1  0.525378  0.208988  0.548773  1
  Ni  Ni66  1  0.690689  0.539117  0.557463  1
  Ni  Ni67  1  0.601601  0.033983  0.570795  1
  Ni  Ni68  1  0.767199  0.364073  0.579420  1
  Ni  Ni69  1  0.932450  0.694229  0.588212  1
  Ni  Ni70  1  0.855446  0.869025  0.566436  1
  Ni  Ni71  1  0.020329  0.198984  0.575107  1
  Ni  Ni72  1  0.185713  0.529126  0.583779  1
  Ni  Ni73  1  0.096648  0.023978  0.597126  1
  Ni  Ni74  1  0.262452  0.354068  0.605702  1
  Ni  Ni75  1  0.428036  0.684231  0.614451  1
  Ni  Ni76  1  0.350483  0.859133  0.592779  1
  Ni  Ni77  1  0.515192  0.189024  0.601410  1
  Ni  Ni78  1  0.680773  0.519171  0.610086  1
  Ni  Ni79  1  0.592053  0.013949  0.623532  1
  Ni  Ni80  1  0.758108  0.344165  0.632088  1
  Ni  Ni81  1  0.924364  0.674255  0.640841  1
  Ni  Ni82  1  0.845180  0.848980  0.619256  1
  Ni  Ni83  1  0.009600  0.179002  0.627797  1
  Ni  Ni84  1  0.175534  0.509142  0.636418  1
  Ni  Ni85  1  0.087661  0.004026  0.649685  1
  Ni  Ni86  1  0.254249  0.334139  0.658171  1
  Ni  Ni87  1  0.420915  0.664719  0.666741  1
  Ni  Ni88  1  0.339863  0.839200  0.645478  1
  Ni  Ni89  1  0.503787  0.169029  0.653897  1
  Ni  Ni90  1  0.670059  0.499609  0.662591  1
  Ni  Ni91  1  0.582254  0.994186  0.676214  1
  Ni  Ni92  1  0.748182  0.323754  0.684595  1
  Ni  Ni93  1  0.916898  0.655121  0.693523  1
  Ni  Ni94  1  0.835048  0.829109  0.672152  1
  Ni  Ni95  1  0.999411  0.159076  0.680399  1
  Ni  Ni96  1  0.165158  0.488738  0.688857  1
  Ni  Ni97  1  0.073282  0.984795  0.702500  1
  Ni  Ni98  1  0.238840  0.313895  0.710865  1
  Ni  Ni99  1  0.411888  0.642135  0.718688  1
  Ni  Ni100  1  0.333109  0.820300  0.698573  1
  Ni  Ni101  1  0.498183  0.149289  0.706621  1
  Ni  Ni102  1  0.665217  0.477415  0.715061  1
