# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47198874
_cell_length_b   6.13244713
_cell_length_c   33.01863918
_cell_angle_alpha   90.00000301
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni46
_cell_volume   500.54078561
_cell_formula_units_Z   46
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  Ni0  1  0.000000  0.000137  0.623313  1
  Ni  Ni1  1  0.000000  0.666599  0.663703  1
  Ni  Ni2  1  0.000000  0.333348  0.571481  1
  Ni  Ni3  1  0.000000  0.333348  0.428519  1
  Ni  Ni4  1  0.000000  0.000137  0.376687  1
  Ni  Ni5  1  0.000000  0.666599  0.336297  1
  Ni  Ni6  1  0.500000  0.999854  0.561113  1
  Ni  Ni7  1  0.500000  0.666302  0.599587  1
  Ni  Ni8  1  0.500000  0.366798  0.500000  1
  Ni  Ni9  1  0.500000  0.999854  0.438887  1
  Ni  Ni10  1  0.500000  0.666302  0.400413  1
  Ni  Ni11  1  0.000000  0.667128  0.464311  1
  Ni  Ni12  1  0.000000  0.032989  0.500000  1
  Ni  Ni13  1  0.000000  0.667128  0.535689  1
  Ni  Ni14  1  0.000000  0.333369  0.295842  1
  Ni  Ni15  1  0.000000  0.000000  0.250000  1
  Ni  Ni16  1  0.000000  0.666631  0.204158  1
  Ni  Ni17  1  0.500000  0.999924  0.314645  1
  Ni  Ni18  1  0.500000  0.665726  0.271939  1
  Ni  Ni19  1  0.500000  0.333446  0.358046  1
  Ni  Ni20  1  0.000000  0.332872  0.035689  1
  Ni  Ni21  1  0.000000  0.967011  0.000000  1
  Ni  Ni22  1  0.000000  0.332872  0.964311  1
  Ni  Ni23  1  0.500000  0.999924  0.685355  1
  Ni  Ni24  1  0.500000  0.665726  0.728061  1
  Ni  Ni25  1  0.500000  0.333446  0.641954  1
  Ni  Ni26  1  0.500000  0.000076  0.814645  1
  Ni  Ni27  1  0.500000  0.666554  0.858046  1
  Ni  Ni28  1  0.500000  0.334274  0.771939  1
  Ni  Ni29  1  0.000000  0.000000  0.750000  1
  Ni  Ni30  1  0.000000  0.666631  0.795842  1
  Ni  Ni31  1  0.000000  0.333369  0.704158  1
  Ni  Ni32  1  0.000000  0.333401  0.163703  1
  Ni  Ni33  1  0.000000  0.999863  0.123313  1
  Ni  Ni34  1  0.000000  0.666652  0.071481  1
  Ni  Ni35  1  0.500000  0.334274  0.228061  1
  Ni  Ni36  1  0.500000  0.000076  0.185355  1
  Ni  Ni37  1  0.500000  0.666554  0.141954  1
  Ni  Ni38  1  0.000000  0.999863  0.876687  1
  Ni  Ni39  1  0.000000  0.666652  0.928519  1
  Ni  Ni40  1  0.000000  0.333401  0.836297  1
  Ni  Ni41  1  0.500000  0.333698  0.099587  1
  Ni  Ni42  1  0.500000  0.000146  0.061113  1
  Ni  Ni43  1  0.500000  0.633202  0.000000  1
  Ni  Ni44  1  0.500000  0.000146  0.938887  1
  Ni  Ni45  1  0.500000  0.333698  0.900413  1
