# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47867268
_cell_length_b   7.69630858
_cell_length_c   48.73931746
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   99.21468341
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni36
_cell_volume   917.783322791
_cell_formula_units_Z   36
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  0.851670  0.702333  0.305592  1
  Ni  Ni2  1  0.231222  0.461533  0.330107  1
  Ni  Ni3  1  0.611955  0.222584  0.352974  1
  Ni  Ni4  1  0.460242  0.919921  0.333861  1
  Ni  Ni5  1  0.700982  0.401909  0.287608  1
  Ni  Ni6  1  0.077201  0.153755  0.309018  1
  Ni  Ni7  1  0.993808  0.986184  0.377274  1
  Ni  Ni8  1  0.375007  0.748491  0.401115  1
  Ni  Ni9  1  0.756384  0.511107  0.424902  1
  Ni  Ni10  1  0.604722  0.208507  0.405012  1
  Ni  Ni11  1  0.841791  0.682967  0.357590  1
  Ni  Ni12  1  0.222944  0.445077  0.381263  1
  Ni  Ni13  1  0.137842  0.273888  0.448726  1
  Ni  Ni14  1  0.519302  0.036710  0.472586  1
  Ni  Ni15  1  0.900727  0.799459  0.496425  1
  Ni  Ni16  1  0.749096  0.496935  0.476571  1
  Ni  Ni17  1  0.986244  0.971453  0.428918  1
  Ni  Ni18  1  0.367659  0.734170  0.452747  1
  Ni  Ni19  1  0.282174  0.562238  0.520262  1
  Ni  Ni20  1  0.663610  0.325003  0.544086  1
  Ni  Ni21  1  0.045025  0.087720  0.567915  1
  Ni  Ni22  1  0.893427  0.785285  0.548107  1
  Ni  Ni23  1  0.130543  0.259714  0.500408  1
  Ni  Ni24  1  0.511968  0.022463  0.524247  1
  Ni  Ni25  1  0.426548  0.850666  0.591821  1
  Ni  Ni26  1  0.808326  0.614096  0.615571  1
  Ni  Ni27  1  0.189479  0.376206  0.639243  1
  Ni  Ni28  1  0.037462  0.072990  0.619559  1
  Ni  Ni29  1  0.274886  0.548066  0.571931  1
  Ni  Ni30  1  0.656263  0.310682  0.595718  1
  Ni  Ni31  1  0.571028  0.139252  0.662972  1
  Ni  Ni32  1  0.954069  0.905418  0.687816  1
  Ni  Ni33  1  0.330288  0.657264  0.709225  1
  Ni  Ni34  1  0.179600  0.356840  0.691241  1
  Ni  Ni35  1  0.419315  0.836589  0.643859  1
  Ni  Ni36  1  0.800048  0.597640  0.666726  1
