# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.85891367
_cell_length_b   7.85566626
_cell_length_c   45.87605837
_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   2775.02727116
_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  0.647341  0.647945  0.320887  1
  Ni  Ni2  1  0.147341  0.147945  0.320887  1
  Ni  Ni3  1  0.232250  0.732999  0.291176  1
  Ni  Ni4  1  0.732250  0.232999  0.291176  1
  Ni  Ni5  1  0.982250  0.982999  0.291176  1
  Ni  Ni6  1  0.482250  0.482999  0.291176  1
  Ni  Ni7  1  0.397341  0.897945  0.320887  1
  Ni  Ni8  1  0.897341  0.397945  0.320887  1
  Ni  Ni9  1  0.691381  0.942038  0.305925  1
  Ni  Ni10  1  0.191381  0.442038  0.305925  1
  Ni  Ni11  1  0.105231  0.855848  0.337069  1
  Ni  Ni12  1  0.605231  0.355848  0.337069  1
  Ni  Ni13  1  0.941381  0.692038  0.305925  1
  Ni  Ni14  1  0.441381  0.192038  0.305925  1
  Ni  Ni15  1  0.355231  0.605848  0.337069  1
  Ni  Ni16  1  0.855231  0.105848  0.337069  1
  Ni  Ni17  1  0.480239  0.480783  0.383717  1
  Ni  Ni18  1  0.980239  0.980783  0.383717  1
  Ni  Ni19  1  0.063651  0.564237  0.352184  1
  Ni  Ni20  1  0.563651  0.064237  0.352184  1
  Ni  Ni21  1  0.813651  0.814237  0.352184  1
  Ni  Ni22  1  0.313651  0.314237  0.352184  1
  Ni  Ni23  1  0.230239  0.730783  0.383717  1
  Ni  Ni24  1  0.730239  0.230783  0.383717  1
  Ni  Ni25  1  0.522009  0.772565  0.367593  1
  Ni  Ni26  1  0.022009  0.272565  0.367593  1
  Ni  Ni27  1  0.938383  0.688903  0.399165  1
  Ni  Ni28  1  0.438383  0.188903  0.399165  1
  Ni  Ni29  1  0.772009  0.522565  0.367593  1
  Ni  Ni30  1  0.272009  0.022565  0.367593  1
  Ni  Ni31  1  0.188383  0.438903  0.399165  1
  Ni  Ni32  1  0.688383  0.938903  0.399165  1
  Ni  Ni33  1  0.313200  0.313657  0.446211  1
  Ni  Ni34  1  0.813200  0.813657  0.446211  1
  Ni  Ni35  1  0.896728  0.397224  0.414759  1
  Ni  Ni36  1  0.396728  0.897224  0.414759  1
  Ni  Ni37  1  0.646728  0.647224  0.414759  1
  Ni  Ni38  1  0.146728  0.147224  0.414759  1
  Ni  Ni39  1  0.063200  0.563657  0.446211  1
  Ni  Ni40  1  0.563200  0.063657  0.446211  1
  Ni  Ni41  1  0.354963  0.605440  0.430624  1
  Ni  Ni42  1  0.854963  0.105440  0.430624  1
  Ni  Ni43  1  0.771503  0.521937  0.461854  1
  Ni  Ni44  1  0.271503  0.021937  0.461854  1
  Ni  Ni45  1  0.604963  0.355440  0.430624  1
  Ni  Ni46  1  0.104963  0.855440  0.430624  1
  Ni  Ni47  1  0.021503  0.271937  0.461854  1
  Ni  Ni48  1  0.521503  0.771937  0.461854  1
  Ni  Ni49  1  0.146306  0.146677  0.508915  1
  Ni  Ni50  1  0.646306  0.646677  0.508915  1
  Ni  Ni51  1  0.729758  0.230172  0.477595  1
  Ni  Ni52  1  0.229758  0.730172  0.477595  1
  Ni  Ni53  1  0.479758  0.480172  0.477595  1
  Ni  Ni54  1  0.979758  0.980172  0.477595  1
  Ni  Ni55  1  0.896306  0.396677  0.508915  1
  Ni  Ni56  1  0.396306  0.896677  0.508915  1
  Ni  Ni57  1  0.188010  0.438403  0.493260  1
  Ni  Ni58  1  0.688010  0.938403  0.493260  1
  Ni  Ni59  1  0.604558  0.354908  0.524581  1
  Ni  Ni60  1  0.104558  0.854908  0.524581  1
  Ni  Ni61  1  0.438010  0.188403  0.493260  1
  Ni  Ni62  1  0.938010  0.688403  0.493260  1
  Ni  Ni63  1  0.854558  0.104908  0.524581  1
  Ni  Ni64  1  0.354558  0.604908  0.524581  1
  Ni  Ni65  1  0.979353  0.979639  0.571551  1
  Ni  Ni66  1  0.479353  0.479639  0.571551  1
  Ni  Ni67  1  0.562813  0.063142  0.540322  1
  Ni  Ni68  1  0.062813  0.563142  0.540322  1
  Ni  Ni69  1  0.312813  0.313142  0.540322  1
  Ni  Ni70  1  0.812813  0.813142  0.540322  1
  Ni  Ni71  1  0.729353  0.229639  0.571551  1
  Ni  Ni72  1  0.229353  0.729639  0.571551  1
  Ni  Ni73  1  0.021116  0.271423  0.555964  1
  Ni  Ni74  1  0.521116  0.771423  0.555964  1
  Ni  Ni75  1  0.437589  0.187855  0.587417  1
  Ni  Ni76  1  0.937589  0.687855  0.587417  1
  Ni  Ni77  1  0.271116  0.021423  0.555964  1
  Ni  Ni78  1  0.771116  0.521423  0.555964  1
  Ni  Ni79  1  0.687589  0.937855  0.587417  1
  Ni  Ni80  1  0.187589  0.437855  0.587417  1
  Ni  Ni81  1  0.812307  0.812515  0.634582  1
  Ni  Ni82  1  0.312307  0.312515  0.634582  1
  Ni  Ni83  1  0.395934  0.896176  0.603010  1
  Ni  Ni84  1  0.895934  0.396176  0.603010  1
  Ni  Ni85  1  0.145934  0.146176  0.603010  1
  Ni  Ni86  1  0.645934  0.646176  0.603010  1
  Ni  Ni87  1  0.562307  0.062515  0.634582  1
  Ni  Ni88  1  0.062307  0.562515  0.634582  1
  Ni  Ni89  1  0.854077  0.104296  0.618459  1
  Ni  Ni90  1  0.354077  0.604296  0.618459  1
  Ni  Ni91  1  0.270665  0.020842  0.649992  1
  Ni  Ni92  1  0.770665  0.520842  0.649992  1
  Ni  Ni93  1  0.104077  0.854296  0.618459  1
  Ni  Ni94  1  0.604077  0.354296  0.618459  1
  Ni  Ni95  1  0.520665  0.770842  0.649992  1
  Ni  Ni96  1  0.020665  0.270842  0.649992  1
  Ni  Ni97  1  0.642935  0.643041  0.696250  1
  Ni  Ni98  1  0.142935  0.143041  0.696250  1
  Ni  Ni99  1  0.229085  0.729231  0.665107  1
  Ni  Ni100  1  0.729085  0.229231  0.665107  1
  Ni  Ni101  1  0.979085  0.979231  0.665107  1
  Ni  Ni102  1  0.479085  0.479231  0.665107  1
  Ni  Ni103  1  0.392935  0.893041  0.696250  1
  Ni  Ni104  1  0.892935  0.393041  0.696250  1
  Ni  Ni105  1  0.686975  0.937134  0.681289  1
  Ni  Ni106  1  0.186975  0.437134  0.681289  1
  Ni  Ni107  1  0.102066  0.852080  0.711000  1
  Ni  Ni108  1  0.602066  0.352080  0.711000  1
  Ni  Ni109  1  0.936975  0.687134  0.681289  1
  Ni  Ni110  1  0.436975  0.187134  0.681289  1
  Ni  Ni111  1  0.352066  0.602080  0.711000  1
  Ni  Ni112  1  0.852066  0.102080  0.711000  1
