# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91766689
_cell_length_b   4.78517241
_cell_length_c   47.72313211
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   69.01691277
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1901.42281512
_cell_formula_units_Z   78
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  0.730665  0.393053  0.292422  1
  Ni  Ni2  1  0.011702  0.341268  0.303278  1
  Ni  Ni3  1  0.447391  0.451498  0.282122  1
  Ni  Ni4  1  0.800155  0.853691  0.301270  1
  Ni  Ni5  1  0.242497  0.960014  0.280837  1
  Ni  Ni6  1  0.521106  0.905933  0.290413  1
  Ni  Ni7  1  0.571661  0.236398  0.327411  1
  Ni  Ni8  1  0.851175  0.183055  0.338449  1
  Ni  Ni9  1  0.291027  0.292145  0.315864  1
  Ni  Ni10  1  0.638845  0.693074  0.336407  1
  Ni  Ni11  1  0.080232  0.795232  0.312829  1
  Ni  Ni12  1  0.360343  0.746665  0.325776  1
  Ni  Ni13  1  0.409503  0.079574  0.361663  1
  Ni  Ni14  1  0.689499  0.024601  0.373073  1
  Ni  Ni15  1  0.129473  0.130814  0.349797  1
  Ni  Ni16  1  0.476638  0.534784  0.371232  1
  Ni  Ni17  1  0.917352  0.640018  0.347751  1
  Ni  Ni18  1  0.196075  0.588523  0.359576  1
  Ni  Ni19  1  0.247630  0.920357  0.395976  1
  Ni  Ni20  1  0.527334  0.867180  0.407585  1
  Ni  Ni21  1  0.968323  0.972385  0.384481  1
  Ni  Ni22  1  0.314235  0.376590  0.405579  1
  Ni  Ni23  1  0.755849  0.481580  0.382445  1
  Ni  Ni24  1  0.034892  0.428804  0.393922  1
  Ni  Ni25  1  0.085989  0.761284  0.430507  1
  Ni  Ni26  1  0.365375  0.708706  0.442027  1
  Ni  Ni27  1  0.806789  0.813712  0.419049  1
  Ni  Ni28  1  0.152511  0.217729  0.440015  1
  Ni  Ni29  1  0.594019  0.323191  0.417076  1
  Ni  Ni30  1  0.873269  0.270368  0.428507  1
  Ni  Ni31  1  0.924279  0.602661  0.465050  1
  Ni  Ni32  1  0.203601  0.550014  0.476540  1
  Ni  Ni33  1  0.644869  0.655595  0.453561  1
  Ni  Ni34  1  0.990811  0.059090  0.474540  1
  Ni  Ni35  1  0.431965  0.164972  0.451559  1
  Ni  Ni36  1  0.711462  0.111897  0.463053  1
  Ni  Ni37  1  0.762433  0.444231  0.499554  1
  Ni  Ni38  1  0.041851  0.391378  0.511063  1
  Ni  Ni39  1  0.482980  0.497226  0.488049  1
  Ni  Ni40  1  0.829012  0.900556  0.509059  1
  Ni  Ni41  1  0.270142  0.006404  0.486045  1
  Ni  Ni42  1  0.549560  0.953551  0.497554  1
  Ni  Ni43  1  0.600531  0.285884  0.534054  1
  Ni  Ni44  1  0.880028  0.232810  0.545549  1
  Ni  Ni45  1  0.321182  0.338691  0.522568  1
  Ni  Ni46  1  0.667124  0.742187  0.543547  1
  Ni  Ni47  1  0.108392  0.847767  0.520568  1
  Ni  Ni48  1  0.387714  0.795121  0.532058  1
  Ni  Ni49  1  0.438723  0.127414  0.568601  1
  Ni  Ni50  1  0.717974  0.074591  0.580032  1
  Ni  Ni51  1  0.159482  0.180053  0.557093  1
  Ni  Ni52  1  0.505204  0.584070  0.578059  1
  Ni  Ni53  1  0.946618  0.689076  0.555080  1
  Ni  Ni54  1  0.226004  0.636497  0.566600  1
  Ni  Ni55  1  0.277101  0.968978  0.603185  1
  Ni  Ni56  1  0.556143  0.916202  0.614663  1
  Ni  Ni57  1  0.997758  0.021192  0.591529  1
  Ni  Ni58  1  0.343670  0.425396  0.612627  1
  Ni  Ni59  1  0.784659  0.530602  0.589523  1
  Ni  Ni60  1  0.064363  0.477425  0.601132  1
  Ni  Ni61  1  0.115918  0.809259  0.637532  1
  Ni  Ni62  1  0.394641  0.757764  0.649356  1
  Ni  Ni63  1  0.835355  0.862997  0.625875  1
  Ni  Ni64  1  0.182520  0.266968  0.647311  1
  Ni  Ni65  1  0.622494  0.373181  0.624035  1
  Ni  Ni66  1  0.902489  0.318207  0.635445  1
  Ni  Ni67  1  0.951650  0.651117  0.671332  1
  Ni  Ni68  1  0.231761  0.602550  0.684279  1
  Ni  Ni69  1  0.673148  0.704708  0.660700  1
  Ni  Ni70  1  0.020966  0.105637  0.681244  1
  Ni  Ni71  1  0.460818  0.214727  0.658659  1
  Ni  Ni72  1  0.740332  0.161384  0.669697  1
  Ni  Ni73  1  0.790887  0.491848  0.706695  1
  Ni  Ni74  1  0.069496  0.437768  0.716271  1
  Ni  Ni75  1  0.511838  0.544091  0.695838  1
  Ni  Ni76  1  0.864601  0.946284  0.714986  1
  Ni  Ni77  1  0.300291  0.056514  0.693830  1
  Ni  Ni78  1  0.581328  0.004728  0.704686  1
