# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.30473642
_cell_length_b   4.76965744
_cell_length_c   46.85917325
_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   962.118078538
_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  0.171663  0.426435  0.305541  1
  Ni  Ni2  1  0.669773  0.558618  0.283723  1
  Ni  Ni3  1  0.330065  0.926435  0.305541  1
  Ni  Ni4  1  0.831956  0.058618  0.283723  1
  Ni  Ni5  1  0.168752  0.154468  0.351141  1
  Ni  Ni6  1  0.671069  0.290215  0.328919  1
  Ni  Ni7  1  0.332976  0.654468  0.351141  1
  Ni  Ni8  1  0.830659  0.790215  0.328919  1
  Ni  Ni9  1  0.167790  0.884338  0.396771  1
  Ni  Ni10  1  0.667572  0.019236  0.374175  1
  Ni  Ni11  1  0.333938  0.384338  0.396771  1
  Ni  Ni12  1  0.834156  0.519236  0.374175  1
  Ni  Ni13  1  0.167770  0.613886  0.442288  1
  Ni  Ni14  1  0.667717  0.748968  0.419593  1
  Ni  Ni15  1  0.333958  0.113886  0.442288  1
  Ni  Ni16  1  0.834011  0.248968  0.419593  1
  Ni  Ni17  1  0.167757  0.343495  0.487778  1
  Ni  Ni18  1  0.667746  0.478639  0.465055  1
  Ni  Ni19  1  0.333972  0.843495  0.487778  1
  Ni  Ni20  1  0.833982  0.978639  0.465055  1
  Ni  Ni21  1  0.167746  0.073132  0.533257  1
  Ni  Ni22  1  0.667757  0.208275  0.510533  1
  Ni  Ni23  1  0.333982  0.573132  0.533257  1
  Ni  Ni24  1  0.833972  0.708275  0.510533  1
  Ni  Ni25  1  0.167717  0.802803  0.578719  1
  Ni  Ni26  1  0.667770  0.937884  0.556024  1
  Ni  Ni27  1  0.334011  0.302803  0.578719  1
  Ni  Ni28  1  0.833958  0.437884  0.556024  1
  Ni  Ni29  1  0.167572  0.532535  0.624137  1
  Ni  Ni30  1  0.667790  0.667432  0.601541  1
  Ni  Ni31  1  0.334156  0.032535  0.624137  1
  Ni  Ni32  1  0.833938  0.167432  0.601541  1
  Ni  Ni33  1  0.171069  0.261556  0.669392  1
  Ni  Ni34  1  0.668752  0.397302  0.647170  1
  Ni  Ni35  1  0.330659  0.761556  0.669392  1
  Ni  Ni36  1  0.832976  0.897302  0.647170  1
  Ni  Ni37  1  0.169773  0.993152  0.714589  1
  Ni  Ni38  1  0.671663  0.125335  0.692770  1
  Ni  Ni39  1  0.331956  0.493152  0.714589  1
  Ni  Ni40  1  0.830065  0.625335  0.692770  1
