# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47339035
_cell_length_b   4.78556983
_cell_length_c   47.83238044
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.96471083
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   546.970213987
_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  0.581357  0.158942  0.295013  1
  Ni  Ni2  1  0.315809  0.628049  0.300935  1
  Ni  Ni3  1  0.975386  0.947034  0.335066  1
  Ni  Ni4  1  0.708133  0.412630  0.341231  1
  Ni  Ni5  1  0.368099  0.732435  0.374842  1
  Ni  Ni6  1  0.100928  0.198170  0.381330  1
  Ni  Ni7  1  0.761270  0.518743  0.414824  1
  Ni  Ni8  1  0.493764  0.983799  0.421346  1
  Ni  Ni9  1  0.154276  0.304718  0.454807  1
  Ni  Ni10  1  0.886737  0.769705  0.461356  1
  Ni  Ni11  1  0.547289  0.090703  0.494801  1
  Ni  Ni12  1  0.279727  0.555646  0.501354  1
  Ni  Ni13  1  0.940279  0.876644  0.534799  1
  Ni  Ni14  1  0.672739  0.341631  0.541348  1
  Ni  Ni15  1  0.333252  0.662550  0.574809  1
  Ni  Ni16  1  0.065746  0.127606  0.581331  1
  Ni  Ni17  1  0.726087  0.448179  0.614826  1
  Ni  Ni18  1  0.458917  0.913914  0.621313  1
  Ni  Ni19  1  0.118882  0.233718  0.654924  1
  Ni  Ni20  1  0.851629  0.699315  0.661090  1
  Ni  Ni21  1  0.511207  0.018300  0.695220  1
  Ni  Ni22  1  0.245659  0.487407  0.701142  1
