# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.46709583
_cell_length_b   8.58333176
_cell_length_c   48.08785991
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.69743480
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   1007.63129864
_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  0.275238  0.955033  0.283890  1
  Ni  Ni2  1  0.039653  0.428728  0.304759  1
  Ni  Ni3  1  0.410033  0.686945  0.300658  1
  Ni  Ni4  1  0.177719  0.151441  0.320809  1
  Ni  Ni5  1  0.805932  0.894658  0.326899  1
  Ni  Ni6  1  0.572749  0.362094  0.347865  1
  Ni  Ni7  1  0.944732  0.617668  0.343633  1
  Ni  Ni8  1  0.709723  0.087638  0.364816  1
  Ni  Ni9  1  0.338685  0.829675  0.369830  1
  Ni  Ni10  1  0.104677  0.298129  0.391283  1
  Ni  Ni11  1  0.476667  0.553915  0.387340  1
  Ni  Ni12  1  0.242251  0.022747  0.408755  1
  Ni  Ni13  1  0.870565  0.766191  0.413220  1
  Ni  Ni14  1  0.636540  0.234440  0.434782  1
  Ni  Ni15  1  0.008617  0.490132  0.430901  1
  Ni  Ni16  1  0.774363  0.958676  0.452462  1
  Ni  Ni17  1  0.402519  0.702471  0.456676  1
  Ni  Ni18  1  0.168436  0.170746  0.478302  1
  Ni  Ni19  1  0.540538  0.426408  0.474427  1
  Ni  Ni20  1  0.306391  0.894771  0.496051  1
  Ni  Ni21  1  0.934501  0.638665  0.500199  1
  Ni  Ni22  1  0.700354  0.107028  0.521823  1
  Ni  Ni23  1  0.072456  0.362689  0.517949  1
  Ni  Ni24  1  0.838373  0.830964  0.539574  1
  Ni  Ni25  1  0.466529  0.574759  0.543789  1
  Ni  Ni26  1  0.232275  0.043304  0.565350  1
  Ni  Ni27  1  0.604351  0.298995  0.561468  1
  Ni  Ni28  1  0.370327  0.767245  0.583031  1
  Ni  Ni29  1  0.998641  0.510689  0.587496  1
  Ni  Ni30  1  0.764225  0.979520  0.608911  1
  Ni  Ni31  1  0.136215  0.235307  0.604968  1
  Ni  Ni32  1  0.902207  0.703760  0.626420  1
  Ni  Ni33  1  0.531169  0.445798  0.631435  1
  Ni  Ni34  1  0.296160  0.915768  0.652617  1
  Ni  Ni35  1  0.668143  0.171342  0.648386  1
  Ni  Ni36  1  0.434960  0.638778  0.669351  1
  Ni  Ni37  1  0.063173  0.381994  0.675441  1
  Ni  Ni38  1  0.830859  0.846490  0.695593  1
  Ni  Ni39  1  0.201239  0.104708  0.691492  1
  Ni  Ni40  1  0.965654  0.578402  0.712360  1
