# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.95168214
_cell_length_b   4.77320592
_cell_length_c   47.72222494
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.86017139
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1901.86159509
_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  0.735638  0.367036  0.293316  1
  Ni  Ni2  1  0.014454  0.315850  0.304459  1
  Ni  Ni3  1  0.454070  0.422372  0.282211  1
  Ni  Ni4  1  0.803429  0.831113  0.302513  1
  Ni  Ni5  1  0.248153  0.940301  0.280419  1
  Ni  Ni6  1  0.526863  0.879468  0.291436  1
  Ni  Ni7  1  0.574539  0.213063  0.328085  1
  Ni  Ni8  1  0.854924  0.158006  0.339439  1
  Ni  Ni9  1  0.293733  0.270639  0.316324  1
  Ni  Ni10  1  0.643699  0.666361  0.337036  1
  Ni  Ni11  1  0.084405  0.775566  0.313467  1
  Ni  Ni12  1  0.364483  0.724256  0.325939  1
  Ni  Ni13  1  0.414427  0.051501  0.362214  1
  Ni  Ni14  1  0.694476  0.995851  0.373687  1
  Ni  Ni15  1  0.134655  0.104011  0.350324  1
  Ni  Ni16  1  0.481262  0.506860  0.371794  1
  Ni  Ni17  1  0.922733  0.613400  0.348245  1
  Ni  Ni18  1  0.201204  0.560977  0.360006  1
  Ni  Ni19  1  0.253072  0.889850  0.396556  1
  Ni  Ni20  1  0.532837  0.835983  0.408180  1
  Ni  Ni21  1  0.973913  0.942533  0.385102  1
  Ni  Ni22  1  0.319620  0.345349  0.406137  1
  Ni  Ni23  1  0.760882  0.452626  0.383166  1
  Ni  Ni24  1  0.040257  0.398483  0.394492  1
  Ni  Ni25  1  0.092017  0.727949  0.431100  1
  Ni  Ni26  1  0.371512  0.674485  0.442606  1
  Ni  Ni27  1  0.812622  0.781670  0.419653  1
  Ni  Ni28  1  0.158488  0.183603  0.440609  1
  Ni  Ni29  1  0.599504  0.291053  0.417679  1
  Ni  Ni30  1  0.879102  0.237242  0.429132  1
  Ni  Ni31  1  0.930780  0.566668  0.465634  1
  Ni  Ni32  1  0.210274  0.513010  0.477118  1
  Ni  Ni33  1  0.651189  0.620543  0.454135  1
  Ni  Ni34  1  0.997285  0.022173  0.475145  1
  Ni  Ni35  1  0.438045  0.129950  0.452157  1
  Ni  Ni36  1  0.717722  0.075974  0.463660  1
  Ni  Ni37  1  0.769457  0.405398  0.500128  1
  Ni  Ni38  1  0.049044  0.351602  0.511638  1
  Ni  Ni39  1  0.489833  0.459297  0.488620  1
  Ni  Ni40  1  0.835996  0.860812  0.509659  1
  Ni  Ni41  1  0.276785  0.968507  0.486641  1
  Ni  Ni42  1  0.556372  0.914711  0.498151  1
  Ni  Ni43  1  0.608108  0.244135  0.534619  1
  Ni  Ni44  1  0.887784  0.190159  0.546123  1
  Ni  Ni45  1  0.328545  0.297936  0.523134  1
  Ni  Ni46  1  0.674641  0.699566  0.544144  1
  Ni  Ni47  1  0.115555  0.807099  0.521161  1
  Ni  Ni48  1  0.395050  0.753441  0.532645  1
  Ni  Ni49  1  0.446727  0.082866  0.569148  1
  Ni  Ni50  1  0.726326  0.029056  0.580601  1
  Ni  Ni51  1  0.167341  0.136506  0.557671  1
  Ni  Ni52  1  0.513207  0.538439  0.578626  1
  Ni  Ni53  1  0.954318  0.645624  0.555674  1
  Ni  Ni54  1  0.233813  0.592159  0.567179  1
  Ni  Ni55  1  0.285572  0.921626  0.603787  1
  Ni  Ni56  1  0.564948  0.867483  0.615114  1
  Ni  Ni57  1  0.006210  0.974760  0.592142  1
  Ni  Ni58  1  0.351917  0.377576  0.613178  1
  Ni  Ni59  1  0.792993  0.484126  0.590099  1
  Ni  Ni60  1  0.072758  0.430259  0.601724  1
  Ni  Ni61  1  0.124625  0.759132  0.638274  1
  Ni  Ni62  1  0.403097  0.706709  0.650035  1
  Ni  Ni63  1  0.844568  0.813249  0.626485  1
  Ni  Ni64  1  0.191175  0.216098  0.647956  1
  Ni  Ni65  1  0.631353  0.324258  0.624593  1
  Ni  Ni66  1  0.911402  0.268608  0.636065  1
  Ni  Ni67  1  0.961346  0.595853  0.672340  1
  Ni  Ni68  1  0.241424  0.544542  0.684812  1
  Ni  Ni69  1  0.682130  0.653748  0.661243  1
  Ni  Ni70  1  0.032096  0.049469  0.681956  1
  Ni  Ni71  1  0.470906  0.162103  0.658841  1
  Ni  Ni72  1  0.751290  0.107046  0.670194  1
  Ni  Ni73  1  0.798966  0.440641  0.706844  1
  Ni  Ni74  1  0.077676  0.379808  0.717860  1
  Ni  Ni75  1  0.522400  0.488996  0.695766  1
  Ni  Ni76  1  0.871759  0.897737  0.716069  1
  Ni  Ni77  1  0.311375  0.004259  0.693820  1
  Ni  Ni78  1  0.590192  0.953072  0.704963  1
