# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.42950576
_cell_length_b   4.85621788
_cell_length_c   48.86411084
_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   Ni36
_cell_volume   813.803774859
_cell_formula_units_Z   36
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  0.503347  0.377708  0.289650  1
  Ni  Ni2  1  0.003347  0.627708  0.311519  1
  Ni  Ni3  1  0.003347  0.127708  0.311519  1
  Ni  Ni4  1  0.503347  0.877708  0.289650  1
  Ni  Ni5  1  0.503347  0.877708  0.336208  1
  Ni  Ni6  1  0.003347  0.127708  0.361112  1
  Ni  Ni7  1  0.003347  0.627708  0.361112  1
  Ni  Ni8  1  0.503347  0.377708  0.336208  1
  Ni  Ni9  1  0.503347  0.377708  0.386469  1
  Ni  Ni10  1  0.003347  0.627708  0.411592  1
  Ni  Ni11  1  0.003347  0.127708  0.411592  1
  Ni  Ni12  1  0.503347  0.877708  0.386469  1
  Ni  Ni13  1  0.503347  0.877708  0.436742  1
  Ni  Ni14  1  0.003347  0.127708  0.461879  1
  Ni  Ni15  1  0.003347  0.627708  0.461879  1
  Ni  Ni16  1  0.503347  0.377708  0.436742  1
  Ni  Ni17  1  0.503347  0.377708  0.487030  1
  Ni  Ni18  1  0.003347  0.627708  0.512174  1
  Ni  Ni19  1  0.003347  0.127708  0.512174  1
  Ni  Ni20  1  0.503347  0.877708  0.487030  1
  Ni  Ni21  1  0.503347  0.877708  0.537325  1
  Ni  Ni22  1  0.003347  0.127708  0.562462  1
  Ni  Ni23  1  0.003347  0.627708  0.562462  1
  Ni  Ni24  1  0.503347  0.377708  0.537325  1
  Ni  Ni25  1  0.503347  0.377708  0.587612  1
  Ni  Ni26  1  0.003347  0.627708  0.612735  1
  Ni  Ni27  1  0.003347  0.127708  0.612735  1
  Ni  Ni28  1  0.503347  0.877708  0.587612  1
  Ni  Ni29  1  0.503347  0.877708  0.638092  1
  Ni  Ni30  1  0.003347  0.127708  0.662997  1
  Ni  Ni31  1  0.003347  0.627708  0.662997  1
  Ni  Ni32  1  0.503347  0.377708  0.638092  1
  Ni  Ni33  1  0.503347  0.377708  0.687685  1
  Ni  Ni34  1  0.003347  0.627708  0.709554  1
  Ni  Ni35  1  0.003347  0.127708  0.709554  1
  Ni  Ni36  1  0.503347  0.877708  0.687685  1
