# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49049828
_cell_length_b   5.00084387
_cell_length_c   49.99066569
_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   872.608912546
_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  0.504831  0.123316  0.286161  1
  Ni  Ni2  1  0.004831  0.373316  0.311132  1
  Ni  Ni3  1  0.004831  0.873316  0.311132  1
  Ni  Ni4  1  0.504831  0.623316  0.286161  1
  Ni  Ni5  1  0.504831  0.623316  0.335800  1
  Ni  Ni6  1  0.004831  0.873316  0.360915  1
  Ni  Ni7  1  0.004831  0.373316  0.360915  1
  Ni  Ni8  1  0.504831  0.123316  0.335800  1
  Ni  Ni9  1  0.504831  0.123316  0.385900  1
  Ni  Ni10  1  0.004831  0.373316  0.410932  1
  Ni  Ni11  1  0.004831  0.873316  0.410932  1
  Ni  Ni12  1  0.504831  0.623316  0.385900  1
  Ni  Ni13  1  0.504831  0.623316  0.435945  1
  Ni  Ni14  1  0.004831  0.873316  0.460966  1
  Ni  Ni15  1  0.004831  0.373316  0.460966  1
  Ni  Ni16  1  0.504831  0.123316  0.435945  1
  Ni  Ni17  1  0.504831  0.123316  0.485983  1
  Ni  Ni18  1  0.004831  0.373316  0.511003  1
  Ni  Ni19  1  0.004831  0.873316  0.511003  1
  Ni  Ni20  1  0.504831  0.623316  0.485983  1
  Ni  Ni21  1  0.504831  0.623316  0.536020  1
  Ni  Ni22  1  0.004831  0.873316  0.561041  1
  Ni  Ni23  1  0.004831  0.373316  0.561041  1
  Ni  Ni24  1  0.504831  0.123316  0.536020  1
  Ni  Ni25  1  0.504831  0.123316  0.586054  1
  Ni  Ni26  1  0.004831  0.373316  0.611086  1
  Ni  Ni27  1  0.004831  0.873316  0.611086  1
  Ni  Ni28  1  0.504831  0.623316  0.586054  1
  Ni  Ni29  1  0.504831  0.623316  0.636071  1
  Ni  Ni30  1  0.004831  0.873316  0.661186  1
  Ni  Ni31  1  0.004831  0.373316  0.661186  1
  Ni  Ni32  1  0.504831  0.123316  0.636071  1
  Ni  Ni33  1  0.504831  0.123316  0.685854  1
  Ni  Ni34  1  0.004831  0.373316  0.710825  1
  Ni  Ni35  1  0.004831  0.873316  0.710825  1
  Ni  Ni36  1  0.504831  0.623316  0.685854  1
