# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.82088662
_cell_length_b   7.81836397
_cell_length_c   46.05824621
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni112
_cell_volume   2759.40144775
_cell_formula_units_Z   112
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  0.707781  0.955427  0.300437  1
  Ni  Ni2  1  0.202772  0.453904  0.299743  1
  Ni  Ni3  1  0.117652  0.872541  0.331091  1
  Ni  Ni4  1  0.618830  0.370655  0.331999  1
  Ni  Ni5  1  0.954354  0.708896  0.300439  1
  Ni  Ni6  1  0.452824  0.203851  0.299741  1
  Ni  Ni7  1  0.369602  0.619881  0.332000  1
  Ni  Ni8  1  0.871504  0.118686  0.331082  1
  Ni  Ni9  1  0.661591  0.662610  0.314366  1
  Ni  Ni10  1  0.156517  0.157536  0.313081  1
  Ni  Ni11  1  0.246439  0.746337  0.287034  1
  Ni  Ni12  1  0.745176  0.247597  0.287032  1
  Ni  Ni13  1  0.827669  0.828694  0.346847  1
  Ni  Ni14  1  0.495234  0.496393  0.286637  1
  Ni  Ni15  1  0.415066  0.912228  0.314623  1
  Ni  Ni16  1  0.911207  0.416101  0.314622  1
  Ni  Ni17  1  0.536631  0.787593  0.361806  1
  Ni  Ni18  1  0.036948  0.287285  0.361419  1
  Ni  Ni19  1  0.952642  0.703300  0.393472  1
  Ni  Ni20  1  0.452337  0.203467  0.393203  1
  Ni  Ni21  1  0.786606  0.537618  0.361806  1
  Ni  Ni22  1  0.286305  0.037936  0.361421  1
  Ni  Ni23  1  0.202505  0.453296  0.393202  1
  Ni  Ni24  1  0.702334  0.953606  0.393473  1
  Ni  Ni25  1  0.494166  0.495151  0.378110  1
  Ni  Ni26  1  0.994702  0.995694  0.378073  1
  Ni  Ni27  1  0.078736  0.579703  0.346480  1
  Ni  Ni28  1  0.578685  0.079757  0.346479  1
  Ni  Ni29  1  0.660612  0.661550  0.408989  1
  Ni  Ni30  1  0.326585  0.327603  0.345909  1
  Ni  Ni31  1  0.243885  0.746745  0.377891  1
  Ni  Ni32  1  0.745764  0.244866  0.377887  1
  Ni  Ni33  1  0.368355  0.619747  0.424805  1
  Ni  Ni34  1  0.868723  0.119528  0.424898  1
  Ni  Ni35  1  0.784761  0.535429  0.456047  1
  Ni  Ni36  1  0.284592  0.035668  0.456042  1
  Ni  Ni37  1  0.618824  0.369279  0.424804  1
  Ni  Ni38  1  0.118600  0.869651  0.424899  1
  Ni  Ni39  1  0.034783  0.285477  0.456041  1
  Ni  Ni40  1  0.534546  0.785646  0.456048  1
  Ni  Ni41  1  0.326610  0.327514  0.440307  1
  Ni  Ni42  1  0.826589  0.827496  0.440452  1
  Ni  Ni43  1  0.910926  0.411280  0.408887  1
  Ni  Ni44  1  0.410345  0.911864  0.408888  1
  Ni  Ni45  1  0.492673  0.493539  0.471756  1
  Ni  Ni46  1  0.160705  0.161643  0.408841  1
  Ni  Ni47  1  0.076681  0.577327  0.440385  1
  Ni  Ni48  1  0.576422  0.077587  0.440385  1
  Ni  Ni49  1  0.200708  0.451463  0.487404  1
  Ni  Ni50  1  0.700605  0.951547  0.487455  1
  Ni  Ni51  1  0.616769  0.367520  0.518764  1
  Ni  Ni52  1  0.116702  0.867568  0.518832  1
  Ni  Ni53  1  0.450614  0.201557  0.487404  1
  Ni  Ni54  1  0.950698  0.701455  0.487455  1
  Ni  Ni55  1  0.866757  0.117513  0.518832  1
  Ni  Ni56  1  0.366709  0.617580  0.518764  1
  Ni  Ni57  1  0.158706  0.159536  0.503144  1
  Ni  Ni58  1  0.658718  0.659548  0.503123  1
  Ni  Ni59  1  0.742705  0.243507  0.471814  1
  Ni  Ni60  1  0.242638  0.743573  0.471815  1
  Ni  Ni61  1  0.324696  0.325488  0.534429  1
  Ni  Ni62  1  0.992679  0.993549  0.471852  1
  Ni  Ni63  1  0.908821  0.409456  0.503136  1
  Ni  Ni64  1  0.408626  0.909651  0.503137  1
  Ni  Ni65  1  0.032887  0.283413  0.550255  1
  Ni  Ni66  1  0.532680  0.783683  0.550196  1
  Ni  Ni67  1  0.448278  0.199840  0.581517  1
  Ni  Ni68  1  0.949000  0.699281  0.581534  1
  Ni  Ni69  1  0.282638  0.033662  0.550256  1
  Ni  Ni70  1  0.782908  0.533455  0.550195  1
  Ni  Ni71  1  0.698540  0.949742  0.581535  1
  Ni  Ni72  1  0.199103  0.449015  0.581515  1
  Ni  Ni73  1  0.990846  0.991601  0.565863  1
  Ni  Ni74  1  0.490822  0.491573  0.565677  1
  Ni  Ni75  1  0.574602  0.075608  0.534480  1
  Ni  Ni76  1  0.074815  0.575396  0.534480  1
  Ni  Ni77  1  0.156932  0.157654  0.597526  1
  Ni  Ni78  1  0.824731  0.825526  0.534510  1
  Ni  Ni79  1  0.740813  0.241500  0.565776  1
  Ni  Ni80  1  0.240746  0.741567  0.565776  1
  Ni  Ni81  1  0.864863  0.115627  0.612788  1
  Ni  Ni82  1  0.364946  0.615349  0.612555  1
  Ni  Ni83  1  0.281315  0.031593  0.644763  1
  Ni  Ni84  1  0.780881  0.531324  0.644328  1
  Ni  Ni85  1  0.114929  0.865557  0.612788  1
  Ni  Ni86  1  0.614657  0.365636  0.612555  1
  Ni  Ni87  1  0.530661  0.781550  0.644329  1
  Ni  Ni88  1  0.030925  0.281986  0.644764  1
  Ni  Ni89  1  0.822684  0.823379  0.628459  1
  Ni  Ni90  1  0.322387  0.323075  0.629006  1
  Ni  Ni91  1  0.406622  0.907779  0.597346  1
  Ni  Ni92  1  0.907059  0.407340  0.597345  1
  Ni  Ni93  1  0.989399  0.990033  0.659429  1
  Ni  Ni94  1  0.656853  0.657572  0.597223  1
  Ni  Ni95  1  0.571376  0.075195  0.628494  1
  Ni  Ni96  1  0.074510  0.572059  0.628490  1
  Ni  Ni97  1  0.695534  0.951293  0.674588  1
  Ni  Ni98  1  0.197823  0.448333  0.676624  1
  Ni  Ni99  1  0.113984  0.861328  0.704941  1
  Ni  Ni100  1  0.613523  0.363364  0.704737  1
  Ni  Ni101  1  0.950649  0.696173  0.674578  1
  Ni  Ni102  1  0.447679  0.198476  0.676625  1
  Ni  Ni103  1  0.362825  0.614058  0.704736  1
  Ni  Ni104  1  0.860809  0.114554  0.704942  1
  Ni  Ni105  1  0.654026  0.654642  0.690961  1
  Ni  Ni106  1  0.154291  0.154899  0.691555  1
  Ni  Ni107  1  0.241014  0.741037  0.659231  1
  Ni  Ni108  1  0.740413  0.241645  0.659232  1
  Ni  Ni109  1  0.822762  0.823254  0.718202  1
  Ni  Ni110  1  0.488868  0.489494  0.658944  1
  Ni  Ni111  1  0.409995  0.906949  0.692084  1
  Ni  Ni112  1  0.906341  0.410633  0.692087  1
