# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85802482
_cell_length_b   7.85352817
_cell_length_c   45.90952377
_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   2775.98174884
_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  0.734738  0.735688  0.290372  1
  Ni  Ni2  1  0.234738  0.235688  0.290372  1
  Ni  Ni3  1  0.147212  0.647949  0.320520  1
  Ni  Ni4  1  0.647212  0.147949  0.320520  1
  Ni  Ni5  1  0.897212  0.897949  0.320520  1
  Ni  Ni6  1  0.397212  0.397949  0.320520  1
  Ni  Ni7  1  0.484738  0.985688  0.290372  1
  Ni  Ni8  1  0.984738  0.485688  0.290372  1
  Ni  Ni9  1  0.604707  0.855482  0.336690  1
  Ni  Ni10  1  0.104707  0.355482  0.336690  1
  Ni  Ni11  1  0.191755  0.942580  0.305298  1
  Ni  Ni12  1  0.691755  0.442580  0.305298  1
  Ni  Ni13  1  0.854707  0.605482  0.336690  1
  Ni  Ni14  1  0.354707  0.105482  0.336690  1
  Ni  Ni15  1  0.441755  0.692580  0.305298  1
  Ni  Ni16  1  0.941755  0.192580  0.305298  1
  Ni  Ni17  1  0.563114  0.563851  0.351695  1
  Ni  Ni18  1  0.063114  0.063851  0.351695  1
  Ni  Ni19  1  0.980051  0.480728  0.383314  1
  Ni  Ni20  1  0.480051  0.980728  0.383314  1
  Ni  Ni21  1  0.730051  0.730728  0.383314  1
  Ni  Ni22  1  0.230051  0.230728  0.383314  1
  Ni  Ni23  1  0.313114  0.813851  0.351695  1
  Ni  Ni24  1  0.813114  0.313851  0.351695  1
  Ni  Ni25  1  0.438221  0.688868  0.398695  1
  Ni  Ni26  1  0.938221  0.188868  0.398695  1
  Ni  Ni27  1  0.021762  0.772453  0.367239  1
  Ni  Ni28  1  0.521762  0.272453  0.367239  1
  Ni  Ni29  1  0.688221  0.438868  0.398695  1
  Ni  Ni30  1  0.188221  0.938868  0.398695  1
  Ni  Ni31  1  0.271762  0.522453  0.367239  1
  Ni  Ni32  1  0.771762  0.022453  0.367239  1
  Ni  Ni33  1  0.396570  0.397182  0.414365  1
  Ni  Ni34  1  0.896570  0.897182  0.414365  1
  Ni  Ni35  1  0.813050  0.313607  0.445714  1
  Ni  Ni36  1  0.313050  0.813607  0.445714  1
  Ni  Ni37  1  0.563050  0.563607  0.445714  1
  Ni  Ni38  1  0.063050  0.063607  0.445714  1
  Ni  Ni39  1  0.146570  0.647182  0.414365  1
  Ni  Ni40  1  0.646570  0.147182  0.414365  1
  Ni  Ni41  1  0.271368  0.521895  0.461396  1
  Ni  Ni42  1  0.771368  0.021895  0.461396  1
  Ni  Ni43  1  0.854791  0.605378  0.430171  1
  Ni  Ni44  1  0.354791  0.105378  0.430171  1
  Ni  Ni45  1  0.521368  0.271895  0.461396  1
  Ni  Ni46  1  0.021368  0.771895  0.461396  1
  Ni  Ni47  1  0.104791  0.355378  0.430171  1
  Ni  Ni48  1  0.604791  0.855378  0.430171  1
  Ni  Ni49  1  0.229631  0.230130  0.477087  1
  Ni  Ni50  1  0.729631  0.730130  0.477087  1
  Ni  Ni51  1  0.646207  0.146647  0.508397  1
  Ni  Ni52  1  0.146207  0.646647  0.508397  1
  Ni  Ni53  1  0.396207  0.396647  0.508397  1
  Ni  Ni54  1  0.896207  0.896647  0.508397  1
  Ni  Ni55  1  0.979631  0.480130  0.477087  1
  Ni  Ni56  1  0.479631  0.980130  0.477087  1
  Ni  Ni57  1  0.104477  0.354888  0.524024  1
  Ni  Ni58  1  0.604477  0.854888  0.524024  1
  Ni  Ni59  1  0.687901  0.438371  0.492714  1
  Ni  Ni60  1  0.187901  0.938371  0.492714  1
  Ni  Ni61  1  0.354477  0.104888  0.524024  1
  Ni  Ni62  1  0.854477  0.604888  0.524024  1
  Ni  Ni63  1  0.937901  0.188371  0.492714  1
  Ni  Ni64  1  0.437901  0.688371  0.492714  1
  Ni  Ni65  1  0.062740  0.063123  0.539715  1
  Ni  Ni66  1  0.562740  0.563123  0.539715  1
  Ni  Ni67  1  0.479317  0.979640  0.570941  1
  Ni  Ni68  1  0.979317  0.479640  0.570941  1
  Ni  Ni69  1  0.229317  0.229640  0.570941  1
  Ni  Ni70  1  0.729317  0.729640  0.570941  1
  Ni  Ni71  1  0.812740  0.313123  0.539715  1
  Ni  Ni72  1  0.312740  0.813123  0.539715  1
  Ni  Ni73  1  0.937538  0.187836  0.586746  1
  Ni  Ni74  1  0.437538  0.687836  0.586746  1
  Ni  Ni75  1  0.521058  0.271411  0.555397  1
  Ni  Ni76  1  0.021058  0.771411  0.555397  1
  Ni  Ni77  1  0.187538  0.937836  0.586746  1
  Ni  Ni78  1  0.687538  0.437836  0.586746  1
  Ni  Ni79  1  0.771058  0.021411  0.555397  1
  Ni  Ni80  1  0.271058  0.521411  0.555397  1
  Ni  Ni81  1  0.895887  0.896150  0.602416  1
  Ni  Ni82  1  0.395887  0.396150  0.602416  1
  Ni  Ni83  1  0.312346  0.812564  0.633872  1
  Ni  Ni84  1  0.812346  0.312564  0.633872  1
  Ni  Ni85  1  0.062346  0.062564  0.633872  1
  Ni  Ni86  1  0.562346  0.562564  0.633872  1
  Ni  Ni87  1  0.645887  0.146150  0.602416  1
  Ni  Ni88  1  0.145887  0.646150  0.602416  1
  Ni  Ni89  1  0.770994  0.021167  0.649416  1
  Ni  Ni90  1  0.270994  0.521167  0.649416  1
  Ni  Ni91  1  0.354057  0.104290  0.617798  1
  Ni  Ni92  1  0.854057  0.604290  0.617798  1
  Ni  Ni93  1  0.020994  0.771167  0.649416  1
  Ni  Ni94  1  0.520994  0.271167  0.649416  1
  Ni  Ni95  1  0.604057  0.854290  0.617798  1
  Ni  Ni96  1  0.104057  0.354290  0.617798  1
  Ni  Ni97  1  0.729401  0.729536  0.664422  1
  Ni  Ni98  1  0.229401  0.229536  0.664422  1
  Ni  Ni99  1  0.142353  0.642438  0.695813  1
  Ni  Ni100  1  0.642353  0.142438  0.695813  1
  Ni  Ni101  1  0.892353  0.892438  0.695813  1
  Ni  Ni102  1  0.392353  0.392438  0.695813  1
  Ni  Ni103  1  0.479401  0.979536  0.664422  1
  Ni  Ni104  1  0.979401  0.479536  0.664422  1
  Ni  Ni105  1  0.599370  0.849330  0.710739  1
  Ni  Ni106  1  0.099370  0.349330  0.710739  1
  Ni  Ni107  1  0.186896  0.937069  0.680591  1
  Ni  Ni108  1  0.686896  0.437069  0.680591  1
  Ni  Ni109  1  0.849370  0.599330  0.710739  1
  Ni  Ni110  1  0.349370  0.099330  0.710739  1
  Ni  Ni111  1  0.436896  0.687069  0.680591  1
  Ni  Ni112  1  0.936896  0.187069  0.680591  1
