# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46778318
_cell_length_b   8.56456190
_cell_length_c   48.02260304
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   98.29993993
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1004.34988437
_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  0.232586  0.958418  0.284359  1
  Ni  Ni2  1  0.465390  0.424904  0.304160  1
  Ni  Ni3  1  0.094810  0.683346  0.299970  1
  Ni  Ni4  1  0.329001  0.151677  0.321364  1
  Ni  Ni5  1  0.699760  0.893115  0.326929  1
  Ni  Ni6  1  0.934834  0.363584  0.347931  1
  Ni  Ni7  1  0.562136  0.618005  0.343816  1
  Ni  Ni8  1  0.796854  0.087445  0.365467  1
  Ni  Ni9  1  0.168349  0.830447  0.369912  1
  Ni  Ni10  1  0.402668  0.299205  0.391329  1
  Ni  Ni11  1  0.030545  0.554856  0.387493  1
  Ni  Ni12  1  0.264751  0.023276  0.409157  1
  Ni  Ni13  1  0.636698  0.767221  0.413263  1
  Ni  Ni14  1  0.870837  0.235546  0.434840  1
  Ni  Ni15  1  0.498640  0.491076  0.431034  1
  Ni  Ni16  1  0.732829  0.959466  0.452736  1
  Ni  Ni17  1  0.104865  0.703600  0.456693  1
  Ni  Ni18  1  0.339006  0.171906  0.478357  1
  Ni  Ni19  1  0.966802  0.427427  0.474554  1
  Ni  Ni20  1  0.200950  0.895739  0.496253  1
  Ni  Ni21  1  0.573019  0.639942  0.500172  1
  Ni  Ni22  1  0.807167  0.108255  0.521872  1
  Ni  Ni23  1  0.434963  0.363776  0.518068  1
  Ni  Ni24  1  0.669104  0.832082  0.539733  1
  Ni  Ni25  1  0.041140  0.576216  0.543690  1
  Ni  Ni26  1  0.275329  0.044605  0.565392  1
  Ni  Ni27  1  0.903132  0.300136  0.561585  1
  Ni  Ni28  1  0.137271  0.768461  0.583163  1
  Ni  Ni29  1  0.509218  0.512406  0.587269  1
  Ni  Ni30  1  0.743424  0.980826  0.608932  1
  Ni  Ni31  1  0.371301  0.236477  0.605097  1
  Ni  Ni32  1  0.605619  0.705235  0.626514  1
  Ni  Ni33  1  0.977114  0.448237  0.630958  1
  Ni  Ni34  1  0.211833  0.917677  0.652610  1
  Ni  Ni35  1  0.839135  0.172098  0.648495  1
  Ni  Ni36  1  0.074208  0.642567  0.669497  1
  Ni  Ni37  1  0.444968  0.384005  0.675062  1
  Ni  Ni38  1  0.679158  0.852336  0.696455  1
  Ni  Ni39  1  0.308579  0.110778  0.692266  1
  Ni  Ni40  1  0.541383  0.577263  0.712067  1
