# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.41082928
_cell_length_b   4.70785572
_cell_length_c   47.34378451
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.66181420
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   519.846485825
_cell_formula_units_Z   22
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  0.621657  0.242640  0.294519  1
  Ni  Ni2  1  0.352366  0.703856  0.299740  1
  Ni  Ni3  1  0.011101  0.020007  0.331027  1
  Ni  Ni4  1  0.745531  0.487928  0.337288  1
  Ni  Ni5  1  0.409012  0.813407  0.370839  1
  Ni  Ni6  1  0.142657  0.280836  0.377506  1
  Ni  Ni7  1  0.809448  0.613174  0.411338  1
  Ni  Ni8  1  0.542645  0.079740  0.418016  1
  Ni  Ni9  1  0.209177  0.411536  0.451656  1
  Ni  Ni10  1  0.942330  0.877940  0.458361  1
  Ni  Ni11  1  0.608820  0.209690  0.491973  1
  Ni  Ni12  1  0.341984  0.676113  0.498694  1
  Ni  Ni13  1  1.008474  1.007862  0.532307  1
  Ni  Ni14  1  0.741627  0.474266  0.539011  1
  Ni  Ni15  1  0.408159  0.806062  0.572652  1
  Ni  Ni16  1  0.141357  0.272628  0.579329  1
  Ni  Ni17  1  0.808147  0.604967  0.613162  1
  Ni  Ni18  1  0.541792  0.072395  0.619828  1
  Ni  Ni19  1  0.205273  0.397874  0.653379  1
  Ni  Ni20  1  0.939703  0.865795  0.659640  1
  Ni  Ni21  1  0.598438  0.181946  0.690928  1
  Ni  Ni22  1  0.329147  0.643162  0.696148  1
