# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47354765
_cell_length_b   4.77222100
_cell_length_c   47.78167548
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.99310925
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   544.828694598
_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  0.578357  0.153439  0.294972  1
  Ni  Ni2  1  0.311087  0.619484  0.301166  1
  Ni  Ni3  1  0.970988  0.938849  0.334917  1
  Ni  Ni4  1  0.703330  0.403811  0.341441  1
  Ni  Ni5  1  0.363653  0.724140  0.374803  1
  Ni  Ni6  1  0.095959  0.188948  0.381396  1
  Ni  Ni7  1  0.756418  0.509579  0.414821  1
  Ni  Ni8  1  0.488693  0.974312  0.421393  1
  Ni  Ni9  1  0.149163  0.294970  0.454835  1
  Ni  Ni10  1  0.881465  0.759754  0.461405  1
  Ni  Ni11  1  0.541925  0.080391  0.494849  1
  Ni  Ni12  1  0.274228  0.545180  0.501417  1
  Ni  Ni13  1  0.934688  0.865817  0.534862  1
  Ni  Ni14  1  0.666989  0.330601  0.541432  1
  Ni  Ni15  1  0.327460  0.651259  0.574874  1
  Ni  Ni16  1  0.059735  0.115992  0.581446  1
  Ni  Ni17  1  0.720193  0.436622  0.614871  1
  Ni  Ni18  1  0.452500  0.901431  0.621464  1
  Ni  Ni19  1  0.112823  0.221760  0.654826  1
  Ni  Ni20  1  0.845165  0.686722  0.661350  1
  Ni  Ni21  1  0.505066  0.006087  0.695101  1
  Ni  Ni22  1  0.237796  0.472132  0.701295  1
