# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12713957
_cell_length_b   10.81301767
_cell_length_c   45.92177199
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni84
_cell_volume   2049.3432552
_cell_formula_units_Z   84
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  0.251143  0.514051  0.300139  1
  Ni  Ni2  1  0.251143  0.299525  0.279734  1
  Ni  Ni3  1  0.251143  0.909811  0.289981  1
  Ni  Ni4  1  0.751143  0.382127  0.303010  1
  Ni  Ni5  1  0.751143  0.171152  0.282900  1
  Ni  Ni6  1  0.751143  0.779067  0.293514  1
  Ni  Ni7  1  0.251143  0.330871  0.331757  1
  Ni  Ni8  1  0.251143  0.119309  0.310733  1
  Ni  Ni9  1  0.251143  0.726154  0.321099  1
  Ni  Ni10  1  0.751143  0.199126  0.335282  1
  Ni  Ni11  1  0.751143  0.987083  0.314184  1
  Ni  Ni12  1  0.751143  0.592864  0.324553  1
  Ni  Ni13  1  0.251143  0.146405  0.363924  1
  Ni  Ni14  1  0.251143  0.935361  0.342674  1
  Ni  Ni15  1  0.251143  0.541151  0.353109  1
  Ni  Ni16  1  0.751143  0.014438  0.367511  1
  Ni  Ni17  1  0.751143  0.803411  0.346183  1
  Ni  Ni18  1  0.751143  0.409043  0.356602  1
  Ni  Ni19  1  0.251143  0.962107  0.396333  1
  Ni  Ni20  1  0.251143  0.751277  0.374689  1
  Ni  Ni21  1  0.251143  0.357003  0.385484  1
  Ni  Ni22  1  0.751143  0.830106  0.399910  1
  Ni  Ni23  1  0.751143  0.619307  0.378204  1
  Ni  Ni24  1  0.751143  0.225002  0.389111  1
  Ni  Ni25  1  0.251143  0.777886  0.428624  1
  Ni  Ni26  1  0.251143  0.567389  0.407030  1
  Ni  Ni27  1  0.251143  0.172696  0.417841  1
  Ni  Ni28  1  0.751143  0.645945  0.432198  1
  Ni  Ni29  1  0.751143  0.435452  0.410616  1
  Ni  Ni30  1  0.751143  0.040749  0.421458  1
  Ni  Ni31  1  0.251143  0.593733  0.460966  1
  Ni  Ni32  1  0.251143  0.383220  0.439398  1
  Ni  Ni33  1  0.251143  0.988456  0.450215  1
  Ni  Ni34  1  0.751143  0.461824  0.464570  1
  Ni  Ni35  1  0.751143  0.251307  0.443024  1
  Ni  Ni36  1  0.751143  0.856525  0.453819  1
  Ni  Ni37  1  0.251143  0.409542  0.493319  1
  Ni  Ni38  1  0.251143  0.198997  0.471759  1
  Ni  Ni39  1  0.251143  0.804241  0.482554  1
  Ni  Ni40  1  0.751143  0.277633  0.496938  1
  Ni  Ni41  1  0.751143  0.067087  0.475382  1
  Ni  Ni42  1  0.751143  0.672329  0.486152  1
  Ni  Ni43  1  0.251143  0.225319  0.525677  1
  Ni  Ni44  1  0.251143  0.014773  0.504121  1
  Ni  Ni45  1  0.251143  0.620076  0.514907  1
  Ni  Ni46  1  0.751143  0.093408  0.529300  1
  Ni  Ni47  1  0.751143  0.882864  0.507740  1
  Ni  Ni48  1  0.751143  0.488165  0.518505  1
  Ni  Ni49  1  0.251143  0.041098  0.558035  1
  Ni  Ni50  1  0.251143  0.830582  0.536489  1
  Ni  Ni51  1  0.251143  0.435880  0.547240  1
  Ni  Ni52  1  0.751143  0.909186  0.561661  1
  Ni  Ni53  1  0.751143  0.698672  0.540093  1
  Ni  Ni54  1  0.751143  0.303949  0.550844  1
  Ni  Ni55  1  0.251143  0.856953  0.590443  1
  Ni  Ni56  1  0.251143  0.646461  0.568861  1
  Ni  Ni57  1  0.251143  0.251657  0.579601  1
  Ni  Ni58  1  0.751143  0.725016  0.594029  1
  Ni  Ni59  1  0.751143  0.514519  0.572435  1
  Ni  Ni60  1  0.751143  0.119709  0.583218  1
  Ni  Ni61  1  0.251143  0.673098  0.622855  1
  Ni  Ni62  1  0.251143  0.462299  0.601149  1
  Ni  Ni63  1  0.251143  0.067403  0.611948  1
  Ni  Ni64  1  0.751143  0.541129  0.626370  1
  Ni  Ni65  1  0.751143  0.330299  0.604726  1
  Ni  Ni66  1  0.751143  0.935402  0.615575  1
  Ni  Ni67  1  0.251143  0.488994  0.654876  1
  Ni  Ni68  1  0.251143  0.277968  0.633548  1
  Ni  Ni69  1  0.251143  0.883362  0.644457  1
  Ni  Ni70  1  0.751143  0.357045  0.658385  1
  Ni  Ni71  1  0.751143  0.146000  0.637134  1
  Ni  Ni72  1  0.751143  0.751254  0.647950  1
  Ni  Ni73  1  0.251143  0.305322  0.686875  1
  Ni  Ni74  1  0.251143  0.093279  0.665776  1
  Ni  Ni75  1  0.251143  0.699542  0.676505  1
  Ni  Ni76  1  0.751143  0.173096  0.690326  1
  Ni  Ni77  1  0.751143  0.961535  0.669302  1
  Ni  Ni78  1  0.751143  0.566252  0.679960  1
  Ni  Ni79  1  0.251143  0.121254  0.718159  1
  Ni  Ni80  1  0.251143  0.910278  0.698049  1
  Ni  Ni81  1  0.251143  0.513339  0.707545  1
  Ni  Ni82  1  0.751143  0.992880  0.721325  1
  Ni  Ni83  1  0.751143  0.778355  0.700920  1
  Ni  Ni84  1  0.751143  0.382595  0.711078  1
