# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27631330
_cell_length_b   4.77316015
_cell_length_c   46.48357263
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   116.62098333
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni34
_cell_volume   848.21857299
_cell_formula_units_Z   34
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  0.713187  0.766086  0.299162  1
  Ni  Ni2  1  0.822969  0.310494  0.287606  1
  Ni  Ni3  1  0.176759  0.683408  0.324973  1
  Ni  Ni4  1  0.278275  0.220477  0.312129  1
  Ni  Ni5  1  0.633905  0.597717  0.350665  1
  Ni  Ni6  1  0.737129  0.138909  0.338354  1
  Ni  Ni7  1  0.092623  0.516077  0.376308  1
  Ni  Ni8  1  0.196737  0.057100  0.363618  1
  Ni  Ni9  1  0.550477  0.431884  0.402019  1
  Ni  Ni10  1  0.656182  0.973221  0.389314  1
  Ni  Ni11  1  0.008946  0.348720  0.427691  1
  Ni  Ni12  1  0.115055  0.890098  0.414918  1
  Ni  Ni13  1  0.467300  0.265321  0.453371  1
  Ni  Ni14  1  0.573696  0.806836  0.440583  1
  Ni  Ni15  1  0.925731  0.182051  0.479042  1
  Ni  Ni16  1  0.032186  0.723574  0.466237  1
  Ni  Ni17  1  0.384142  0.098753  0.504710  1
  Ni  Ni18  1  0.490638  0.640308  0.491903  1
  Ni  Ni19  1  0.842594  0.015487  0.530376  1
  Ni  Ni20  1  0.949048  0.557010  0.517571  1
  Ni  Ni21  1  0.301084  0.932225  0.556030  1
  Ni  Ni22  1  0.407480  0.473740  0.543242  1
  Ni  Ni23  1  0.759724  0.848963  0.581695  1
  Ni  Ni24  1  0.865833  0.390341  0.568922  1
  Ni  Ni25  1  0.218598  0.765840  0.607299  1
  Ni  Ni26  1  0.324303  0.307177  0.594594  1
  Ni  Ni27  1  0.678042  0.681961  0.632995  1
  Ni  Ni28  1  0.782157  0.222984  0.620305  1
  Ni  Ni29  1  0.137650  0.600152  0.658259  1
  Ni  Ni30  1  0.240874  0.141343  0.645948  1
  Ni  Ni31  1  0.596504  0.518584  0.684484  1
  Ni  Ni32  1  0.698021  0.055653  0.671640  1
  Ni  Ni33  1  0.051810  0.428567  0.709007  1
  Ni  Ni34  1  0.161592  0.972975  0.697451  1
