# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28854300
_cell_length_b   4.74787439
_cell_length_c   46.96460071
_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   Ni40
_cell_volume   956.268001627
_cell_formula_units_Z   40
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  0.165209  0.425713  0.303748  1
  Ni  Ni2  1  0.660686  0.552260  0.280835  1
  Ni  Ni3  1  0.338314  0.925713  0.303748  1
  Ni  Ni4  1  0.842837  0.052260  0.280835  1
  Ni  Ni5  1  0.167898  0.155828  0.349446  1
  Ni  Ni6  1  0.666994  0.288795  0.326964  1
  Ni  Ni7  1  0.335625  0.655828  0.349446  1
  Ni  Ni8  1  0.836529  0.788795  0.326964  1
  Ni  Ni9  1  0.168670  0.885481  0.394869  1
  Ni  Ni10  1  0.668471  0.020220  0.372212  1
  Ni  Ni11  1  0.334853  0.385481  0.394869  1
  Ni  Ni12  1  0.835052  0.520220  0.372212  1
  Ni  Ni13  1  0.168729  0.615562  0.440299  1
  Ni  Ni14  1  0.668707  0.750443  0.417600  1
  Ni  Ni15  1  0.334794  0.115562  0.440299  1
  Ni  Ni16  1  0.834815  0.250443  0.417600  1
  Ni  Ni17  1  0.168728  0.345732  0.485724  1
  Ni  Ni18  1  0.668726  0.480632  0.463017  1
  Ni  Ni19  1  0.334794  0.845732  0.485724  1
  Ni  Ni20  1  0.834797  0.980632  0.463017  1
  Ni  Ni21  1  0.168726  0.075916  0.531146  1
  Ni  Ni22  1  0.668728  0.210816  0.508439  1
  Ni  Ni23  1  0.334797  0.575916  0.531146  1
  Ni  Ni24  1  0.834794  0.710816  0.508439  1
  Ni  Ni25  1  0.168707  0.806106  0.576563  1
  Ni  Ni26  1  0.668729  0.940986  0.553864  1
  Ni  Ni27  1  0.334815  0.306106  0.576563  1
  Ni  Ni28  1  0.834794  0.440986  0.553864  1
  Ni  Ni29  1  0.168471  0.536328  0.621952  1
  Ni  Ni30  1  0.668670  0.671067  0.599294  1
  Ni  Ni31  1  0.335052  0.036328  0.621952  1
  Ni  Ni32  1  0.834853  0.171067  0.599294  1
  Ni  Ni33  1  0.166994  0.267754  0.667199  1
  Ni  Ni34  1  0.667898  0.400720  0.644717  1
  Ni  Ni35  1  0.336529  0.767754  0.667199  1
  Ni  Ni36  1  0.835625  0.900720  0.644717  1
  Ni  Ni37  1  0.160686  0.004289  0.713328  1
  Ni  Ni38  1  0.665209  0.130835  0.690415  1
  Ni  Ni39  1  0.342837  0.504289  0.713328  1
  Ni  Ni40  1  0.838314  0.630835  0.690415  1
