# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18636770
_cell_length_b   8.48464374
_cell_length_c   45.79514082
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   75.88377818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1577.51648482
_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  0.013893  0.156301  0.288243  1
  Ni  Ni2  1  0.757905  0.654218  0.299408  1
  Ni  Ni3  1  0.458631  0.925231  0.283386  1
  Ni  Ni4  1  0.207023  0.398286  0.294078  1
  Ni  Ni5  1  0.520263  0.139118  0.311326  1
  Ni  Ni6  1  0.270281  0.624477  0.322426  1
  Ni  Ni7  1  0.974632  0.893847  0.305066  1
  Ni  Ni8  1  0.725970  0.381347  0.316695  1
  Ni  Ni9  1  0.033397  0.110072  0.336727  1
  Ni  Ni10  1  0.784442  0.598234  0.348898  1
  Ni  Ni11  1  0.490005  0.866982  0.331028  1
  Ni  Ni12  1  0.241614  0.356025  0.343007  1
  Ni  Ni13  1  0.542054  0.087964  0.362972  1
  Ni  Ni14  1  0.296354  0.576500  0.375297  1
  Ni  Ni15  1  0.002061  0.841437  0.355971  1
  Ni  Ni16  1  0.755194  0.331381  0.368795  1
  Ni  Ni17  1  0.052933  0.065146  0.389473  1
  Ni  Ni18  1  0.807488  0.555438  0.402293  1
  Ni  Ni19  1  0.512072  0.820294  0.382976  1
  Ni  Ni20  1  0.264570  0.311640  0.395882  1
  Ni  Ni21  1  0.563010  0.046017  0.416086  1
  Ni  Ni22  1  0.318023  0.536002  0.428937  1
  Ni  Ni23  1  0.020458  0.800288  0.409331  1
  Ni  Ni24  1  0.774312  0.290994  0.422354  1
  Ni  Ni25  1  0.073508  0.025736  0.442533  1
  Ni  Ni26  1  0.828307  0.515817  0.455522  1
  Ni  Ni27  1  0.529615  0.780546  0.435894  1
  Ni  Ni28  1  0.283819  0.271182  0.448970  1
  Ni  Ni29  1  0.583555  1.005660  0.469032  1
  Ni  Ni30  1  0.338343  0.495730  0.482100  1
  Ni  Ni31  1  0.039240  0.760568  0.462372  1
  Ni  Ni32  1  0.793857  0.250826  0.475470  1
  Ni  Ni33  1  0.093633  0.985377  0.495544  1
  Ni  Ni34  1  0.848365  0.475513  0.508645  1
  Ni  Ni35  1  0.549200  0.740435  0.488920  1
  Ni  Ni36  1  0.303933  0.230571  0.502021  1
  Ni  Ni37  1  0.603709  0.965121  0.522095  1
  Ni  Ni38  1  0.358325  0.455380  0.535193  1
  Ni  Ni39  1  0.059222  0.720217  0.515465  1
  Ni  Ni40  1  0.814010  0.210288  0.528533  1
  Ni  Ni41  1  0.113746  0.944766  0.548595  1
  Ni  Ni42  1  0.867950  0.435402  0.561671  1
  Ni  Ni43  1  0.569259  0.700131  0.542043  1
  Ni  Ni44  1  0.324057  0.190212  0.555032  1
  Ni  Ni45  1  0.623253  0.924954  0.575211  1
  Ni  Ni46  1  0.377107  0.415660  0.588235  1
  Ni  Ni47  1  0.079543  0.679945  0.568628  1
  Ni  Ni48  1  0.834555  0.169931  0.581479  1
  Ni  Ni49  1  0.132995  0.904307  0.601683  1
  Ni  Ni50  1  0.885493  0.395654  0.614589  1
  Ni  Ni51  1  0.590077  0.660510  0.595272  1
  Ni  Ni52  1  0.344632  0.150802  0.608092  1
  Ni  Ni53  1  0.642372  0.884567  0.628770  1
  Ni  Ni54  1  0.395504  0.374511  0.641594  1
  Ni  Ni55  1  0.101212  0.639448  0.622268  1
  Ni  Ni56  1  0.855512  0.127984  0.634593  1
  Ni  Ni57  1  0.155951  0.859923  0.654558  1
  Ni  Ni58  1  0.907560  0.348965  0.666537  1
  Ni  Ni59  1  0.613123  0.617713  0.648667  1
  Ni  Ni60  1  0.364168  0.105875  0.660838  1
  Ni  Ni61  1  0.671595  0.834601  0.680870  1
  Ni  Ni62  1  0.422933  0.322101  0.692500  1
  Ni  Ni63  1  0.127284  0.591471  0.675139  1
  Ni  Ni64  1  0.877303  0.076830  0.686240  1
  Ni  Ni65  1  0.190543  0.817662  0.703488  1
  Ni  Ni66  1  0.938934  0.290717  0.714179  1
  Ni  Ni67  1  0.639661  0.561730  0.698157  1
  Ni  Ni68  1  0.383672  0.059646  0.709322  1
