# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98471236
_cell_length_b   7.84728805
_cell_length_c   46.84088881
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni72
_cell_volume   1738.22534793
_cell_formula_units_Z   72
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  0.881285  0.387306  0.282777  1
  Ni  Ni2  1  0.097464  0.819455  0.306381  1
  Ni  Ni3  1  0.209800  0.544459  0.320145  1
  Ni  Ni4  1  0.990120  0.104633  0.294311  1
  Ni  Ni5  1  0.709800  0.544459  0.320145  1
  Ni  Ni6  1  0.490120  0.104633  0.294311  1
  Ni  Ni7  1  0.381285  0.387306  0.282777  1
  Ni  Ni8  1  0.597464  0.819455  0.306381  1
  Ni  Ni9  1  0.320721  0.266401  0.331625  1
  Ni  Ni10  1  0.543610  0.712514  0.356854  1
  Ni  Ni11  1  0.653771  0.432969  0.369406  1
  Ni  Ni12  1  0.431351  0.987827  0.343596  1
  Ni  Ni13  1  0.153771  0.432969  0.369406  1
  Ni  Ni14  1  0.931351  0.987827  0.343596  1
  Ni  Ni15  1  0.820721  0.266401  0.331625  1
  Ni  Ni16  1  0.043610  0.712514  0.356854  1
  Ni  Ni17  1  0.764290  0.154131  0.381540  1
  Ni  Ni18  1  0.986920  0.599672  0.406871  1
  Ni  Ni19  1  0.097531  0.321034  0.419271  1
  Ni  Ni20  1  0.875968  0.877621  0.394253  1
  Ni  Ni21  1  0.597531  0.321034  0.419271  1
  Ni  Ni22  1  0.375968  0.877621  0.394253  1
  Ni  Ni23  1  0.264290  0.154131  0.381540  1
  Ni  Ni24  1  0.486920  0.599672  0.406871  1
  Ni  Ni25  1  0.208704  0.043514  0.431811  1
  Ni  Ni26  1  0.430643  0.487678  0.456876  1
  Ni  Ni27  1  0.541640  0.209809  0.469396  1
  Ni  Ni28  1  0.319783  0.765817  0.444388  1
  Ni  Ni29  1  0.041640  0.209809  0.469396  1
  Ni  Ni30  1  0.819783  0.765817  0.444388  1
  Ni  Ni31  1  0.708704  0.043514  0.431811  1
  Ni  Ni32  1  0.930643  0.487678  0.456876  1
  Ni  Ni33  1  0.652669  0.932007  0.481940  1
  Ni  Ni34  1  0.874614  0.376175  0.506977  1
  Ni  Ni35  1  0.985582  0.098252  0.519499  1
  Ni  Ni36  1  0.763637  0.654084  0.494462  1
  Ni  Ni37  1  0.485582  0.098252  0.519499  1
  Ni  Ni38  1  0.263637  0.654084  0.494462  1
  Ni  Ni39  1  0.152669  0.932007  0.481940  1
  Ni  Ni40  1  0.374614  0.376175  0.506977  1
  Ni  Ni41  1  0.096611  0.820450  0.532043  1
  Ni  Ni42  1  0.318468  0.264442  0.557050  1
  Ni  Ni43  1  0.429547  0.986745  0.569627  1
  Ni  Ni44  1  0.207607  0.542581  0.544563  1
  Ni  Ni45  1  0.929547  0.986745  0.569627  1
  Ni  Ni46  1  0.707607  0.542581  0.544563  1
  Ni  Ni47  1  0.596611  0.820450  0.532043  1
  Ni  Ni48  1  0.818468  0.264442  0.557050  1
  Ni  Ni49  1  0.540720  0.709225  0.582168  1
  Ni  Ni50  1  0.762283  0.152638  0.607185  1
  Ni  Ni51  1  0.873961  0.876128  0.619899  1
  Ni  Ni52  1  0.651331  0.430587  0.594568  1
  Ni  Ni53  1  0.373961  0.876128  0.619899  1
  Ni  Ni54  1  0.151331  0.430587  0.594568  1
  Ni  Ni55  1  0.040720  0.709225  0.582168  1
  Ni  Ni56  1  0.262283  0.152638  0.607185  1
  Ni  Ni57  1  0.984480  0.597290  0.632033  1
  Ni  Ni58  1  0.206899  0.042432  0.657842  1
  Ni  Ni59  1  0.317530  0.763858  0.669813  1
  Ni  Ni60  1  0.094640  0.317745  0.644585  1
  Ni  Ni61  1  0.817530  0.763858  0.669813  1
  Ni  Ni62  1  0.594640  0.317745  0.644585  1
  Ni  Ni63  1  0.484480  0.597290  0.632033  1
  Ni  Ni64  1  0.706899  0.042432  0.657842  1
  Ni  Ni65  1  0.428451  0.485800  0.681293  1
  Ni  Ni66  1  0.648131  0.925626  0.707127  1
  Ni  Ni67  1  0.756966  0.642953  0.718661  1
  Ni  Ni68  1  0.540787  0.210804  0.695057  1
  Ni  Ni69  1  0.256966  0.642953  0.718661  1
  Ni  Ni70  1  0.040787  0.210804  0.695057  1
  Ni  Ni71  1  0.928451  0.485800  0.681293  1
  Ni  Ni72  1  0.148131  0.925626  0.707127  1
