# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.48005906
_cell_length_b   4.77216192
_cell_length_c   47.81803395
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   105.07391855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni22
_cell_volume   546.464771976
_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  0.568631  0.133373  0.295461  1
  Ni  Ni2  1  0.304593  0.605128  0.301633  1
  Ni  Ni3  1  0.962141  0.920367  0.335617  1
  Ni  Ni4  1  0.694269  0.384540  0.341442  1
  Ni  Ni5  1  0.352412  0.700925  0.375251  1
  Ni  Ni6  1  0.085357  0.166746  0.381775  1
  Ni  Ni7  1  0.744072  0.484267  0.415270  1
  Ni  Ni8  1  0.476261  0.948578  0.421786  1
  Ni  Ni9  1  0.135241  0.266630  0.455248  1
  Ni  Ni10  1  0.867459  0.730997  0.461813  1
  Ni  Ni11  1  0.526478  0.049127  0.495250  1
  Ni  Ni12  1  0.258646  0.513395  0.501815  1
  Ni  Ni13  1  0.917665  0.831524  0.535253  1
  Ni  Ni14  1  0.649882  0.295891  0.541818  1
  Ni  Ni15  1  0.308862  0.613943  0.575279  1
  Ni  Ni16  1  0.041052  0.078255  0.581795  1
  Ni  Ni17  1  0.699767  0.395775  0.615291  1
  Ni  Ni18  1  0.432712  0.861597  0.621814  1
  Ni  Ni19  1  0.090855  0.177982  0.655623  1
  Ni  Ni20  1  0.822982  0.642155  0.661448  1
  Ni  Ni21  1  0.480530  0.957394  0.695432  1
  Ni  Ni22  1  0.216493  0.429149  0.701605  1
