# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.25642008
_cell_length_b   8.65719693
_cell_length_c   46.75953961
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.26090996
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1669.92994102
_cell_formula_units_Z   68
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  0.155182  0.144705  0.285869  1
  Ni  Ni2  1  0.397356  0.630948  0.297479  1
  Ni  Ni3  1  0.367611  0.903512  0.280544  1
  Ni  Ni4  1  0.614743  0.384998  0.291985  1
  Ni  Ni5  1  0.648223  0.121501  0.310696  1
  Ni  Ni6  1  0.890347  0.611425  0.322662  1
  Ni  Ni7  1  0.855765  0.873313  0.303694  1
  Ni  Ni8  1  0.104322  0.366787  0.316915  1
  Ni  Ni9  1  0.136287  0.098405  0.336978  1
  Ni  Ni10  1  0.380374  0.589120  0.349669  1
  Ni  Ni11  1  0.347361  0.854331  0.331030  1
  Ni  Ni12  1  0.592718  0.344486  0.343535  1
  Ni  Ni13  1  0.625663  0.078708  0.363096  1
  Ni  Ni14  1  0.869870  0.568157  0.375786  1
  Ni  Ni15  1  0.837469  0.833510  0.356450  1
  Ni  Ni16  1  0.083467  0.323064  0.369465  1
  Ni  Ni17  1  0.114379  0.056975  0.389530  1
  Ni  Ni18  1  0.358792  0.546316  0.402461  1
  Ni  Ni19  1  0.328049  0.812174  0.383100  1
  Ni  Ni20  1  0.573586  0.301946  0.396059  1
  Ni  Ni21  1  0.603788  0.035819  0.415882  1
  Ni  Ni22  1  0.848454  0.525332  0.428854  1
  Ni  Ni23  1  0.817877  0.790863  0.409264  1
  Ni  Ni24  1  0.063071  0.280525  0.422374  1
  Ni  Ni25  1  0.093065  0.014439  0.442263  1
  Ni  Ni26  1  0.337794  0.503910  0.455328  1
  Ni  Ni27  1  0.307658  0.769704  0.435722  1
  Ni  Ni28  1  0.552596  0.259280  0.448810  1
  Ni  Ni29  1  0.582502  0.993232  0.468655  1
  Ni  Ni30  1  0.827271  0.482696  0.481740  1
  Ni  Ni31  1  0.797159  0.748467  0.462069  1
  Ni  Ni32  1  0.042013  0.237957  0.475188  1
  Ni  Ni33  1  0.071889  0.971926  0.495040  1
  Ni  Ni34  1  0.316683  0.461405  0.508148  1
  Ni  Ni35  1  0.286651  0.727230  0.488484  1
  Ni  Ni36  1  0.531445  0.216709  0.501593  1
  Ni  Ni37  1  0.561321  0.950678  0.521445  1
  Ni  Ni38  1  0.806175  0.440168  0.534564  1
  Ni  Ni39  1  0.776063  0.705940  0.514893  1
  Ni  Ni40  1  0.020832  0.195403  0.527978  1
  Ni  Ni41  1  0.050738  0.929356  0.547823  1
  Ni  Ni42  1  0.295676  0.418932  0.560911  1
  Ni  Ni43  1  0.265540  0.684725  0.541305  1
  Ni  Ni44  1  0.510269  0.174196  0.554370  1
  Ni  Ni45  1  0.540264  0.908111  0.574259  1
  Ni  Ni46  1  0.785457  0.397772  0.587369  1
  Ni  Ni47  1  0.754880  0.663303  0.567779  1
  Ni  Ni48  1  0.999546  0.152817  0.580751  1
  Ni  Ni49  1  0.029748  0.886689  0.600574  1
  Ni  Ni50  1  0.275285  0.376462  0.613533  1
  Ni  Ni51  1  0.244543  0.642319  0.594172  1
  Ni  Ni52  1  0.488955  0.131660  0.607103  1
  Ni  Ni53  1  0.519867  0.865571  0.627168  1
  Ni  Ni54  1  0.765865  0.355125  0.640182  1
  Ni  Ni55  1  0.733464  0.620478  0.620847  1
  Ni  Ni56  1  0.977671  0.109928  0.633537  1
  Ni  Ni57  1  0.010616  0.844149  0.653098  1
  Ni  Ni58  1  0.255973  0.334304  0.665603  1
  Ni  Ni59  1  0.222960  0.599515  0.646964  1
  Ni  Ni60  1  0.467047  0.090230  0.659655  1
  Ni  Ni61  1  0.499012  0.821848  0.679718  1
  Ni  Ni62  1  0.747569  0.315322  0.692939  1
  Ni  Ni63  1  0.712987  0.577210  0.673971  1
  Ni  Ni64  1  0.955111  0.067135  0.685937  1
  Ni  Ni65  1  0.988591  0.803637  0.704648  1
  Ni  Ni66  1  0.235723  0.285123  0.716089  1
  Ni  Ni67  1  0.205978  0.557688  0.699154  1
  Ni  Ni68  1  0.448152  0.043931  0.710764  1
