# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47996542
_cell_length_b   4.06405919
_cell_length_c   47.46289892
_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   Ni20
_cell_volume   478.365565032
_cell_formula_units_Z   20
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  0.000957  0.752084  0.301628  1
  Ni  Ni2  1  0.500957  0.252084  0.286248  1
  Ni  Ni3  1  0.500957  0.752084  0.347215  1
  Ni  Ni4  1  0.000957  0.252084  0.332409  1
  Ni  Ni5  1  0.000957  0.752084  0.392700  1
  Ni  Ni6  1  0.500957  0.252084  0.377622  1
  Ni  Ni7  1  0.500957  0.752084  0.438157  1
  Ni  Ni8  1  0.000957  0.252084  0.422987  1
  Ni  Ni9  1  0.000957  0.752084  0.483593  1
  Ni  Ni10  1  0.500957  0.252084  0.468396  1
  Ni  Ni11  1  0.500957  0.752084  0.529018  1
  Ni  Ni12  1  0.000957  0.252084  0.513821  1
  Ni  Ni13  1  0.000957  0.752084  0.574427  1
  Ni  Ni14  1  0.500957  0.252084  0.559257  1
  Ni  Ni15  1  0.500957  0.752084  0.619792  1
  Ni  Ni16  1  0.000957  0.252084  0.604714  1
  Ni  Ni17  1  0.000957  0.752084  0.665005  1
  Ni  Ni18  1  0.500957  0.252084  0.650199  1
  Ni  Ni19  1  0.500957  0.752084  0.711166  1
  Ni  Ni20  1  0.000957  0.252084  0.695786  1
