# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92857943
_cell_length_b   4.75705126
_cell_length_c   47.73311028
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.86388997
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1891.01176964
_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  0.737955  0.367700  0.291290  1
  Ni  Ni2  1  0.017541  0.320697  0.303110  1
  Ni  Ni3  1  0.451759  0.423498  0.280529  1
  Ni  Ni4  1  0.805472  0.827070  0.300818  1
  Ni  Ni5  1  0.242516  0.938892  0.278980  1
  Ni  Ni6  1  0.524958  0.878759  0.290042  1
  Ni  Ni7  1  0.577219  0.211212  0.326764  1
  Ni  Ni8  1  0.856284  0.158230  0.337974  1
  Ni  Ni9  1  0.296687  0.265201  0.315571  1
  Ni  Ni10  1  0.642964  0.667091  0.336168  1
  Ni  Ni11  1  0.084101  0.771672  0.312904  1
  Ni  Ni12  1  0.363529  0.719607  0.325193  1
  Ni  Ni13  1  0.414866  0.051260  0.361188  1
  Ni  Ni14  1  0.694463  0.997403  0.372597  1
  Ni  Ni15  1  0.134695  0.104946  0.349705  1
  Ni  Ni16  1  0.481387  0.506235  0.370763  1
  Ni  Ni17  1  0.921578  0.614396  0.347751  1
  Ni  Ni18  1  0.200973  0.560919  0.359341  1
  Ni  Ni19  1  0.253333  0.890286  0.395629  1
  Ni  Ni20  1  0.533002  0.836450  0.407113  1
  Ni  Ni21  1  0.973554  0.944217  0.384113  1
  Ni  Ni22  1  0.319896  0.345578  0.405182  1
  Ni  Ni23  1  0.760784  0.452836  0.382123  1
  Ni  Ni24  1  0.040194  0.399414  0.393691  1
  Ni  Ni25  1  0.091981  0.729235  0.430089  1
  Ni  Ni26  1  0.371596  0.675484  0.441586  1
  Ni  Ni27  1  0.812441  0.782782  0.418593  1
  Ni  Ni28  1  0.158577  0.184660  0.439631  1
  Ni  Ni29  1  0.599568  0.291868  0.416644  1
  Ni  Ni30  1  0.879005  0.238331  0.428127  1
  Ni  Ni31  1  0.930695  0.568156  0.464565  1
  Ni  Ni32  1  0.210257  0.514503  0.476057  1
  Ni  Ni33  1  0.651149  0.621798  0.453079  1
  Ni  Ni34  1  0.997277  0.023668  0.474093  1
  Ni  Ni35  1  0.438180  0.130972  0.451117  1
  Ni  Ni36  1  0.717735  0.077310  0.462603  1
  Ni  Ni37  1  0.769380  0.407157  0.499040  1
  Ni  Ni38  1  0.048940  0.353498  0.510529  1
  Ni  Ni39  1  0.489820  0.460825  0.487551  1
  Ni  Ni40  1  0.835965  0.862676  0.508565  1
  Ni  Ni41  1  0.276845  0.970003  0.485587  1
  Ni  Ni42  1  0.556405  0.916343  0.497076  1
  Ni  Ni43  1  0.608050  0.246190  0.533513  1
  Ni  Ni44  1  0.887605  0.192528  0.544998  1
  Ni  Ni45  1  0.328509  0.299832  0.522022  1
  Ni  Ni46  1  0.674636  0.701703  0.543037  1
  Ni  Ni47  1  0.115528  0.808997  0.520058  1
  Ni  Ni48  1  0.395090  0.755345  0.531551  1
  Ni  Ni49  1  0.446780  0.085170  0.567989  1
  Ni  Ni50  1  0.726217  0.031633  0.579471  1
  Ni  Ni51  1  0.167208  0.138840  0.556484  1
  Ni  Ni52  1  0.513344  0.540719  0.577523  1
  Ni  Ni53  1  0.954189  0.648016  0.554530  1
  Ni  Ni54  1  0.233804  0.594265  0.566027  1
  Ni  Ni55  1  0.285591  0.924086  0.602424  1
  Ni  Ni56  1  0.565001  0.870664  0.613993  1
  Ni  Ni57  1  0.005889  0.977922  0.590934  1
  Ni  Ni58  1  0.352232  0.379283  0.612003  1
  Ni  Ni59  1  0.792784  0.487051  0.589003  1
  Ni  Ni60  1  0.072452  0.433215  0.600486  1
  Ni  Ni61  1  0.124813  0.762581  0.636775  1
  Ni  Ni62  1  0.404208  0.709105  0.648364  1
  Ni  Ni63  1  0.844398  0.817265  0.625352  1
  Ni  Ni64  1  0.191090  0.218555  0.646410  1
  Ni  Ni65  1  0.631322  0.326097  0.623518  1
  Ni  Ni66  1  0.910919  0.272240  0.634928  1
  Ni  Ni67  1  0.962257  0.603894  0.670922  1
  Ni  Ni68  1  0.241684  0.551828  0.683211  1
  Ni  Ni69  1  0.682821  0.656410  0.659948  1
  Ni  Ni70  1  0.029098  0.058300  0.680545  1
  Ni  Ni71  1  0.469501  0.165270  0.658142  1
  Ni  Ni72  1  0.748566  0.112289  0.669351  1
  Ni  Ni73  1  0.800828  0.444741  0.706073  1
  Ni  Ni74  1  0.083269  0.384608  0.717136  1
  Ni  Ni75  1  0.520313  0.496431  0.695297  1
  Ni  Ni76  1  0.874026  0.900002  0.715587  1
  Ni  Ni77  1  0.308245  0.002803  0.693006  1
  Ni  Ni78  1  0.587830  0.955800  0.704825  1
