# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.91902420
_cell_length_b   4.77312533
_cell_length_c   47.74050075
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   68.97117830
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni78
_cell_volume   1897.03333973
_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  0.732178  0.389529  0.293078  1
  Ni  Ni2  1  0.013007  0.334504  0.303624  1
  Ni  Ni3  1  0.452013  0.447060  0.282873  1
  Ni  Ni4  1  0.801025  0.847862  0.301713  1
  Ni  Ni5  1  0.245578  0.952570  0.281383  1
  Ni  Ni6  1  0.522549  0.901239  0.290939  1
  Ni  Ni7  1  0.573509  0.228538  0.327463  1
  Ni  Ni8  1  0.853224  0.174453  0.338406  1
  Ni  Ni9  1  0.292512  0.286532  0.315786  1
  Ni  Ni10  1  0.640598  0.684881  0.336437  1
  Ni  Ni11  1  0.081299  0.788989  0.312951  1
  Ni  Ni12  1  0.361962  0.739703  0.325818  1
  Ni  Ni13  1  0.411354  0.071363  0.361603  1
  Ni  Ni14  1  0.691671  0.015472  0.373054  1
  Ni  Ni15  1  0.131538  0.122488  0.349635  1
  Ni  Ni16  1  0.478672  0.526065  0.371245  1
  Ni  Ni17  1  0.919324  0.631238  0.347620  1
  Ni  Ni18  1  0.197959  0.580004  0.359453  1
  Ni  Ni19  1  0.249637  0.911393  0.395941  1
  Ni  Ni20  1  0.529439  0.858012  0.407589  1
  Ni  Ni21  1  0.970542  0.963114  0.384424  1
  Ni  Ni22  1  0.316340  0.367549  0.405564  1
  Ni  Ni23  1  0.758064  0.472354  0.382427  1
  Ni  Ni24  1  0.037068  0.419621  0.393863  1
  Ni  Ni25  1  0.088186  0.751730  0.430537  1
  Ni  Ni26  1  0.367578  0.699145  0.442070  1
  Ni  Ni27  1  0.809040  0.804142  0.419069  1
  Ni  Ni28  1  0.154789  0.208181  0.440047  1
  Ni  Ni29  1  0.596285  0.313742  0.417102  1
  Ni  Ni30  1  0.875595  0.260739  0.428527  1
  Ni  Ni31  1  0.926592  0.592681  0.465136  1
  Ni  Ni32  1  0.205927  0.540006  0.476638  1
  Ni  Ni33  1  0.647146  0.645781  0.453625  1
  Ni  Ni34  1  0.993219  0.049075  0.474628  1
  Ni  Ni35  1  0.434280  0.155308  0.451613  1
  Ni  Ni36  1  0.713861  0.101969  0.463129  1
  Ni  Ni37  1  0.764829  0.433925  0.499687  1
  Ni  Ni38  1  0.044293  0.380923  0.511213  1
  Ni  Ni39  1  0.485334  0.487110  0.488159  1
  Ni  Ni40  1  0.831523  0.890160  0.509200  1
  Ni  Ni41  1  0.272565  0.996347  0.486146  1
  Ni  Ni42  1  0.552028  0.943344  0.497672  1
  Ni  Ni43  1  0.602997  0.275301  0.534230  1
  Ni  Ni44  1  0.882578  0.221961  0.545745  1
  Ni  Ni45  1  0.323639  0.328194  0.522731  1
  Ni  Ni46  1  0.669711  0.731489  0.543734  1
  Ni  Ni47  1  0.110930  0.837264  0.520721  1
  Ni  Ni48  1  0.390266  0.784588  0.532223  1
  Ni  Ni49  1  0.441263  0.116530  0.568832  1
  Ni  Ni50  1  0.720572  0.063527  0.580257  1
  Ni  Ni51  1  0.162069  0.169089  0.557312  1
  Ni  Ni52  1  0.507818  0.573127  0.578290  1
  Ni  Ni53  1  0.949280  0.678124  0.555288  1
  Ni  Ni54  1  0.228671  0.625539  0.566822  1
  Ni  Ni55  1  0.279790  0.957648  0.603496  1
  Ni  Ni56  1  0.558793  0.904915  0.614931  1
  Ni  Ni57  1  1.000518  0.009721  0.591795  1
  Ni  Ni58  1  0.346316  0.414156  0.612935  1
  Ni  Ni59  1  0.787419  0.519257  0.589770  1
  Ni  Ni60  1  0.067221  0.465877  0.601418  1
  Ni  Ni61  1  0.118898  0.797266  0.637906  1
  Ni  Ni62  1  0.397534  0.746031  0.649739  1
  Ni  Ni63  1  0.838185  0.851204  0.626114  1
  Ni  Ni64  1  0.185320  0.254781  0.647723  1
  Ni  Ni65  1  0.625187  0.361797  0.624304  1
  Ni  Ni66  1  0.905503  0.305906  0.635756  1
  Ni  Ni67  1  0.954896  0.637566  0.671541  1
  Ni  Ni68  1  0.235559  0.588280  0.684408  1
  Ni  Ni69  1  0.676260  0.692388  0.660922  1
  Ni  Ni70  1  0.024345  0.090737  0.681573  1
  Ni  Ni71  1  0.463634  0.202816  0.658953  1
  Ni  Ni72  1  0.743349  0.148731  0.669896  1
  Ni  Ni73  1  0.794309  0.476030  0.706419  1
  Ni  Ni74  1  0.071279  0.424700  0.715976  1
  Ni  Ni75  1  0.515833  0.529408  0.695646  1
  Ni  Ni76  1  0.864845  0.930210  0.714486  1
  Ni  Ni77  1  0.303850  0.042765  0.693735  1
  Ni  Ni78  1  0.584680  0.987740  0.704281  1
