# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.26777361
_cell_length_b   4.81462257
_cell_length_c   47.13193462
_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   Ni40
_cell_volume   968.453756697
_cell_formula_units_Z   40
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  0.171916  0.495862  0.303463  1
  Ni  Ni2  1  0.670138  0.621885  0.283506  1
  Ni  Ni3  1  0.334409  0.995862  0.303463  1
  Ni  Ni4  1  0.836187  0.121885  0.283506  1
  Ni  Ni5  1  0.169857  0.233527  0.349200  1
  Ni  Ni6  1  0.669655  0.359868  0.327417  1
  Ni  Ni7  1  0.336468  0.733527  0.349200  1
  Ni  Ni8  1  0.836670  0.859868  0.327417  1
  Ni  Ni9  1  0.170618  0.973528  0.394982  1
  Ni  Ni10  1  0.670096  0.102274  0.372481  1
  Ni  Ni11  1  0.335707  0.473528  0.394982  1
  Ni  Ni12  1  0.836229  0.602274  0.372481  1
  Ni  Ni13  1  0.170734  0.714073  0.440646  1
  Ni  Ni14  1  0.670609  0.843404  0.417951  1
  Ni  Ni15  1  0.335591  0.214073  0.440646  1
  Ni  Ni16  1  0.835716  0.343404  0.417951  1
  Ni  Ni17  1  0.170732  0.454774  0.486260  1
  Ni  Ni18  1  0.670709  0.584272  0.463506  1
  Ni  Ni19  1  0.335593  0.954774  0.486260  1
  Ni  Ni20  1  0.835616  0.084272  0.463506  1
  Ni  Ni21  1  0.170709  0.195548  0.531848  1
  Ni  Ni22  1  0.670732  0.325046  0.509094  1
  Ni  Ni23  1  0.335616  0.695548  0.531848  1
  Ni  Ni24  1  0.835593  0.825046  0.509094  1
  Ni  Ni25  1  0.170609  0.936417  0.577403  1
  Ni  Ni26  1  0.670734  0.065747  0.554707  1
  Ni  Ni27  1  0.335716  0.436417  0.577403  1
  Ni  Ni28  1  0.835591  0.565747  0.554707  1
  Ni  Ni29  1  0.170096  0.677546  0.622872  1
  Ni  Ni30  1  0.670618  0.806292  0.600371  1
  Ni  Ni31  1  0.336229  0.177546  0.622872  1
  Ni  Ni32  1  0.835707  0.306292  0.600371  1
  Ni  Ni33  1  0.169655  0.419952  0.667936  1
  Ni  Ni34  1  0.669857  0.546293  0.646153  1
  Ni  Ni35  1  0.336670  0.919952  0.667936  1
  Ni  Ni36  1  0.836468  0.046293  0.646153  1
  Ni  Ni37  1  0.170138  0.157935  0.711847  1
  Ni  Ni38  1  0.671916  0.283959  0.691890  1
  Ni  Ni39  1  0.336187  0.657935  0.711847  1
  Ni  Ni40  1  0.834409  0.783959  0.691890  1
