# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42516648
_cell_length_b   12.37997755
_cell_length_c   45.96541389
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni84
_cell_volume   1949.09369802
_cell_formula_units_Z   84
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  0.503985  0.336491  0.338128  1
  Ni  Ni2  1  0.503985  0.108994  0.299051  1
  Ni  Ni3  1  0.503985  0.721354  0.317357  1
  Ni  Ni4  1  0.003985  0.608994  0.299051  1
  Ni  Ni5  1  0.003985  0.221354  0.317357  1
  Ni  Ni6  1  0.003985  0.836491  0.338128  1
  Ni  Ni7  1  0.003985  0.412887  0.307807  1
  Ni  Ni8  1  0.003985  0.027645  0.326543  1
  Ni  Ni9  1  0.003985  0.797933  0.290323  1
  Ni  Ni10  1  0.503985  0.527645  0.326543  1
  Ni  Ni11  1  0.503985  0.297933  0.290323  1
  Ni  Ni12  1  0.503985  0.912887  0.307807  1
  Ni  Ni13  1  0.503985  0.181804  0.400317  1
  Ni  Ni14  1  0.503985  0.952154  0.357898  1
  Ni  Ni15  1  0.503985  0.566326  0.378975  1
  Ni  Ni16  1  0.003985  0.452154  0.357898  1
  Ni  Ni17  1  0.003985  0.066326  0.378975  1
  Ni  Ni18  1  0.003985  0.681804  0.400317  1
  Ni  Ni19  1  0.003985  0.258975  0.368739  1
  Ni  Ni20  1  0.003985  0.874441  0.389889  1
  Ni  Ni21  1  0.003985  0.643906  0.347736  1
  Ni  Ni22  1  0.503985  0.374441  0.389889  1
  Ni  Ni23  1  0.503985  0.143906  0.347736  1
  Ni  Ni24  1  0.503985  0.758975  0.368739  1
  Ni  Ni25  1  0.503985  0.028294  0.463229  1
  Ni  Ni26  1  0.503985  0.797338  0.421311  1
  Ni  Ni27  1  0.503985  0.412845  0.442272  1
  Ni  Ni28  1  0.003985  0.297338  0.421311  1
  Ni  Ni29  1  0.003985  0.912845  0.442272  1
  Ni  Ni30  1  0.003985  0.528294  0.463229  1
  Ni  Ni31  1  0.003985  0.105020  0.431756  1
  Ni  Ni32  1  0.003985  0.720567  0.452757  1
  Ni  Ni33  1  0.003985  0.489671  0.410754  1
  Ni  Ni34  1  0.503985  0.220567  0.452757  1
  Ni  Ni35  1  0.503985  0.989671  0.410754  1
  Ni  Ni36  1  0.503985  0.605020  0.431756  1
  Ni  Ni37  1  0.503985  0.874603  0.526199  1
  Ni  Ni38  1  0.503985  0.643733  0.484222  1
  Ni  Ni39  1  0.503985  0.259175  0.505212  1
  Ni  Ni40  1  0.003985  0.143733  0.484222  1
  Ni  Ni41  1  0.003985  0.759175  0.505212  1
  Ni  Ni42  1  0.003985  0.374603  0.526199  1
  Ni  Ni43  1  0.003985  0.951451  0.494713  1
  Ni  Ni44  1  0.003985  0.566892  0.515703  1
  Ni  Ni45  1  0.003985  0.336023  0.473726  1
  Ni  Ni46  1  0.503985  0.066892  0.515703  1
  Ni  Ni47  1  0.503985  0.836023  0.473726  1
  Ni  Ni48  1  0.503985  0.451451  0.494713  1
  Ni  Ni49  1  0.503985  0.720955  0.589171  1
  Ni  Ni50  1  0.503985  0.490059  0.547168  1
  Ni  Ni51  1  0.503985  0.105606  0.568170  1
  Ni  Ni52  1  0.003985  0.990059  0.547168  1
  Ni  Ni53  1  0.003985  0.605606  0.568170  1
  Ni  Ni54  1  0.003985  0.220955  0.589171  1
  Ni  Ni55  1  0.003985  0.797781  0.557654  1
  Ni  Ni56  1  0.003985  0.413287  0.578614  1
  Ni  Ni57  1  0.003985  0.182332  0.536696  1
  Ni  Ni58  1  0.503985  0.913287  0.578614  1
  Ni  Ni59  1  0.503985  0.682332  0.536696  1
  Ni  Ni60  1  0.503985  0.297781  0.557654  1
  Ni  Ni61  1  0.503985  0.566719  0.652190  1
  Ni  Ni62  1  0.503985  0.336185  0.610037  1
  Ni  Ni63  1  0.503985  0.951650  0.631186  1
  Ni  Ni64  1  0.003985  0.836185  0.610037  1
  Ni  Ni65  1  0.003985  0.451650  0.631186  1
  Ni  Ni66  1  0.003985  0.066719  0.652190  1
  Ni  Ni67  1  0.003985  0.644300  0.620951  1
  Ni  Ni68  1  0.003985  0.258472  0.642027  1
  Ni  Ni69  1  0.003985  0.028822  0.599608  1
  Ni  Ni70  1  0.503985  0.758472  0.642027  1
  Ni  Ni71  1  0.503985  0.528822  0.599608  1
  Ni  Ni72  1  0.503985  0.144300  0.620951  1
  Ni  Ni73  1  0.503985  0.412693  0.709602  1
  Ni  Ni74  1  0.503985  0.182980  0.673383  1
  Ni  Ni75  1  0.503985  0.797739  0.692119  1
  Ni  Ni76  1  0.003985  0.682980  0.673383  1
  Ni  Ni77  1  0.003985  0.297739  0.692119  1
  Ni  Ni78  1  0.003985  0.912693  0.709602  1
  Ni  Ni79  1  0.003985  0.489272  0.682568  1
  Ni  Ni80  1  0.003985  0.101632  0.700874  1
  Ni  Ni81  1  0.003985  0.874135  0.661798  1
  Ni  Ni82  1  0.503985  0.601632  0.700874  1
  Ni  Ni83  1  0.503985  0.374135  0.661798  1
  Ni  Ni84  1  0.503985  0.989272  0.682568  1
