# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.87165482
_cell_length_b   4.82195000
_cell_length_c   47.82236628
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.27745132
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1913.42562389
_cell_formula_units_Z   78
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  0.725893  0.431279  0.293017  1
  Ni  Ni2  1  0.006394  0.379303  0.302820  1
  Ni  Ni3  1  0.446701  0.484729  0.282814  1
  Ni  Ni4  1  0.793797  0.892381  0.300897  1
  Ni  Ni5  1  0.239712  0.989156  0.281429  1
  Ni  Ni6  1  0.516969  0.940511  0.290559  1
  Ni  Ni7  1  0.566870  0.273795  0.326972  1
  Ni  Ni8  1  0.846036  0.222547  0.337685  1
  Ni  Ni9  1  0.285464  0.331147  0.314935  1
  Ni  Ni10  1  0.632942  0.732935  0.335791  1
  Ni  Ni11  1  0.073229  0.832269  0.312007  1
  Ni  Ni12  1  0.355262  0.784214  0.325414  1
  Ni  Ni13  1  0.402274  0.124151  0.360842  1
  Ni  Ni14  1  0.682678  0.069520  0.372420  1
  Ni  Ni15  1  0.122994  0.172989  0.348838  1
  Ni  Ni16  1  0.469919  0.579734  0.370610  1
  Ni  Ni17  1  0.910302  0.681952  0.346905  1
  Ni  Ni18  1  0.188801  0.632584  0.358690  1
  Ni  Ni19  1  0.239780  0.969115  0.395252  1
  Ni  Ni20  1  0.519200  0.917660  0.406933  1
  Ni  Ni21  1  0.961100  0.019109  0.383765  1
  Ni  Ni22  1  0.306383  0.426961  0.404860  1
  Ni  Ni23  1  0.748902  0.527906  0.381718  1
  Ni  Ni24  1  0.027472  0.477223  0.393135  1
  Ni  Ni25  1  0.077346  0.814788  0.429924  1
  Ni  Ni26  1  0.356345  0.764043  0.441458  1
  Ni  Ni27  1  0.798538  0.865397  0.418460  1
  Ni  Ni28  1  0.143894  0.273005  0.439379  1
  Ni  Ni29  1  0.586107  0.374957  0.416460  1
  Ni  Ni30  1  0.865064  0.323802  0.427867  1
  Ni  Ni31  1  0.914723  0.661178  0.464574  1
  Ni  Ni32  1  0.193710  0.610265  0.476080  1
  Ni  Ni33  1  0.635570  0.712558  0.453042  1
  Ni  Ni34  1  0.981339  0.119327  0.474013  1
  Ni  Ni35  1  0.423034  0.221929  0.450968  1
  Ni  Ni36  1  0.702322  0.170417  0.462513  1
  Ni  Ni37  1  0.751934  0.507826  0.499158  1
  Ni  Ni38  1  0.031065  0.456615  0.510705  1
  Ni  Ni39  1  0.472755  0.559192  0.487608  1
  Ni  Ni40  1  0.818635  0.965801  0.508632  1
  Ni  Ni41  1  0.260325  0.068378  0.485535  1
  Ni  Ni42  1  0.539456  0.017167  0.497082  1
  Ni  Ni43  1  0.589068  0.354576  0.533727  1
  Ni  Ni44  1  0.868355  0.303064  0.545272  1
  Ni  Ni45  1  0.310050  0.405665  0.522227  1
  Ni  Ni46  1  0.655820  0.812435  0.543197  1
  Ni  Ni47  1  0.097680  0.914728  0.520159  1
  Ni  Ni48  1  0.376666  0.863815  0.531665  1
  Ni  Ni49  1  0.426325  0.201191  0.568373  1
  Ni  Ni50  1  0.705283  0.150035  0.579780  1
  Ni  Ni51  1  0.147496  0.251988  0.556861  1
  Ni  Ni52  1  0.492851  0.659595  0.577780  1
  Ni  Ni53  1  0.935044  0.760950  0.554781  1
  Ni  Ni54  1  0.214043  0.710205  0.566316  1
  Ni  Ni55  1  0.263917  0.047770  0.603105  1
  Ni  Ni56  1  0.542488  0.997087  0.614522  1
  Ni  Ni57  1  0.985007  0.098032  0.591380  1
  Ni  Ni58  1  0.330290  0.505884  0.612474  1
  Ni  Ni59  1  0.772189  0.607333  0.589307  1
  Ni  Ni60  1  0.051609  0.555878  0.600988  1
  Ni  Ni61  1  0.102589  0.892409  0.637549  1
  Ni  Ni62  1  0.381087  0.843041  0.649335  1
  Ni  Ni63  1  0.821471  0.945258  0.625630  1
  Ni  Ni64  1  0.168395  0.352004  0.647401  1
  Ni  Ni65  1  0.608711  0.455473  0.623820  1
  Ni  Ni66  1  0.889115  0.400842  0.635397  1
  Ni  Ni67  1  0.936128  0.740779  0.670825  1
  Ni  Ni68  1  0.218161  0.692724  0.684233  1
  Ni  Ni69  1  0.658448  0.792058  0.660449  1
  Ni  Ni70  1  0.005925  0.193846  0.681305  1
  Ni  Ni71  1  0.445354  0.302446  0.658554  1
  Ni  Ni72  1  0.724519  0.251198  0.669267  1
  Ni  Ni73  1  0.774420  0.584482  0.705681  1
  Ni  Ni74  1  0.051677  0.535837  0.714811  1
  Ni  Ni75  1  0.497592  0.632612  0.695343  1
  Ni  Ni76  1  0.844689  0.040264  0.713426  1
  Ni  Ni77  1  0.284995  0.145690  0.693419  1
  Ni  Ni78  1  0.565496  0.093714  0.703223  1
