# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47355730
_cell_length_b   4.77220541
_cell_length_c   47.78162325
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.00689080
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   544.828444617
_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  0.425014  0.153437  0.294973  1
  Ni  Ni2  1  0.692286  0.619481  0.301167  1
  Ni  Ni3  1  0.032384  0.938848  0.334917  1
  Ni  Ni4  1  0.300042  0.403809  0.341441  1
  Ni  Ni5  1  0.639717  0.724140  0.374803  1
  Ni  Ni6  1  0.907412  0.188947  0.381396  1
  Ni  Ni7  1  0.246952  0.509579  0.414821  1
  Ni  Ni8  1  0.514678  0.974312  0.421394  1
  Ni  Ni9  1  0.854206  0.294971  0.454836  1
  Ni  Ni10  1  0.121905  0.759755  0.461405  1
  Ni  Ni11  1  0.461444  0.080393  0.494850  1
  Ni  Ni12  1  0.729141  0.545181  0.501418  1
  Ni  Ni13  1  0.068680  0.865819  0.534863  1
  Ni  Ni14  1  0.336380  0.330603  0.541432  1
  Ni  Ni15  1  0.675908  0.651262  0.574874  1
  Ni  Ni16  1  0.943634  0.115995  0.581447  1
  Ni  Ni17  1  0.283174  0.436627  0.614872  1
  Ni  Ni18  1  0.550868  0.901434  0.621465  1
  Ni  Ni19  1  0.890544  0.221765  0.654827  1
  Ni  Ni20  1  0.158202  0.686726  0.661351  1
  Ni  Ni21  1  0.498299  0.006093  0.695101  1
  Ni  Ni22  1  0.765571  0.472137  0.701295  1
