# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97952684
_cell_length_b   11.07922003
_cell_length_c   48.40580863
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   102.92096638
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni108
_cell_volume   2602.89438743
_cell_formula_units_Z   108
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  0.844437  0.687988  0.300279  1
  Ni  Ni2  1  0.002174  0.003661  0.317204  1
  Ni  Ni3  1  0.687210  0.373850  0.284774  1
  Ni  Ni4  1  0.687210  0.873850  0.284774  1
  Ni  Ni5  1  0.844437  0.187988  0.300279  1
  Ni  Ni6  1  0.002174  0.503661  0.317204  1
  Ni  Ni7  1  0.187210  0.873850  0.284774  1
  Ni  Ni8  1  0.344437  0.187988  0.300279  1
  Ni  Ni9  1  0.502174  0.503661  0.317204  1
  Ni  Ni10  1  0.344437  0.687988  0.300279  1
  Ni  Ni11  1  0.502174  0.003661  0.317204  1
  Ni  Ni12  1  0.187210  0.373850  0.284774  1
  Ni  Ni13  1  0.317897  0.635281  0.350069  1
  Ni  Ni14  1  0.475410  0.950400  0.366655  1
  Ni  Ni15  1  0.159545  0.318432  0.333329  1
  Ni  Ni16  1  0.159545  0.818432  0.333329  1
  Ni  Ni17  1  0.317897  0.135281  0.350069  1
  Ni  Ni18  1  0.475410  0.450400  0.366655  1
  Ni  Ni19  1  0.659545  0.818432  0.333329  1
  Ni  Ni20  1  0.817897  0.135281  0.350069  1
  Ni  Ni21  1  0.975410  0.450400  0.366655  1
  Ni  Ni22  1  0.817897  0.635281  0.350069  1
  Ni  Ni23  1  0.975410  0.950400  0.366655  1
  Ni  Ni24  1  0.659545  0.318432  0.333329  1
  Ni  Ni25  1  0.790992  0.581796  0.400098  1
  Ni  Ni26  1  0.948837  0.897604  0.416847  1
  Ni  Ni27  1  0.633311  0.266324  0.383463  1
  Ni  Ni28  1  0.633311  0.766324  0.383463  1
  Ni  Ni29  1  0.790992  0.081796  0.400098  1
  Ni  Ni30  1  0.948837  0.397604  0.416847  1
  Ni  Ni31  1  0.133311  0.766324  0.383463  1
  Ni  Ni32  1  0.290992  0.081796  0.400098  1
  Ni  Ni33  1  0.448837  0.397604  0.416847  1
  Ni  Ni34  1  0.290992  0.581796  0.400098  1
  Ni  Ni35  1  0.448837  0.897604  0.416847  1
  Ni  Ni36  1  0.133311  0.266324  0.383463  1
  Ni  Ni37  1  0.264377  0.528916  0.450257  1
  Ni  Ni38  1  0.422144  0.844567  0.466962  1
  Ni  Ni39  1  0.106568  0.213181  0.433543  1
  Ni  Ni40  1  0.106568  0.713181  0.433543  1
  Ni  Ni41  1  0.264377  0.028916  0.450257  1
  Ni  Ni42  1  0.422144  0.344567  0.466962  1
  Ni  Ni43  1  0.606568  0.713181  0.433543  1
  Ni  Ni44  1  0.764377  0.028916  0.450257  1
  Ni  Ni45  1  0.922144  0.344567  0.466962  1
  Ni  Ni46  1  0.764377  0.528916  0.450257  1
  Ni  Ni47  1  0.922144  0.844567  0.466962  1
  Ni  Ni48  1  0.606568  0.213181  0.433543  1
  Ni  Ni49  1  0.737709  0.475930  0.500383  1
  Ni  Ni50  1  0.895489  0.791606  0.517090  1
  Ni  Ni51  1  0.579929  0.160254  0.483676  1
  Ni  Ni52  1  0.579929  0.660254  0.483676  1
  Ni  Ni53  1  0.737709  0.975930  0.500383  1
  Ni  Ni54  1  0.895489  0.291606  0.517090  1
  Ni  Ni55  1  0.079929  0.660254  0.483676  1
  Ni  Ni56  1  0.237709  0.975930  0.500383  1
  Ni  Ni57  1  0.395489  0.291606  0.517090  1
  Ni  Ni58  1  0.237709  0.475930  0.500383  1
  Ni  Ni59  1  0.395489  0.791606  0.517090  1
  Ni  Ni60  1  0.079929  0.160254  0.483676  1
  Ni  Ni61  1  0.211041  0.422944  0.550509  1
  Ni  Ni62  1  0.368850  0.738679  0.567223  1
  Ni  Ni63  1  0.053274  0.107293  0.533804  1
  Ni  Ni64  1  0.053274  0.607293  0.533804  1
  Ni  Ni65  1  0.211041  0.922944  0.550509  1
  Ni  Ni66  1  0.368850  0.238679  0.567223  1
  Ni  Ni67  1  0.553274  0.607293  0.533804  1
  Ni  Ni68  1  0.711041  0.922944  0.550509  1
  Ni  Ni69  1  0.868850  0.238679  0.567223  1
  Ni  Ni70  1  0.711041  0.422944  0.550509  1
  Ni  Ni71  1  0.868850  0.738679  0.567223  1
  Ni  Ni72  1  0.553274  0.107293  0.533804  1
  Ni  Ni73  1  0.684426  0.370064  0.600668  1
  Ni  Ni74  1  0.842107  0.685536  0.617303  1
  Ni  Ni75  1  0.526581  0.054257  0.583919  1
  Ni  Ni76  1  0.526581  0.554257  0.583919  1
  Ni  Ni77  1  0.684426  0.870064  0.600668  1
  Ni  Ni78  1  0.842107  0.185536  0.617303  1
  Ni  Ni79  1  0.026581  0.554257  0.583919  1
  Ni  Ni80  1  0.184426  0.870064  0.600668  1
  Ni  Ni81  1  0.342107  0.185536  0.617303  1
  Ni  Ni82  1  0.184426  0.370064  0.600668  1
  Ni  Ni83  1  0.342107  0.685536  0.617303  1
  Ni  Ni84  1  0.026581  0.054257  0.583919  1
  Ni  Ni85  1  0.157521  0.316580  0.650698  1
  Ni  Ni86  1  0.315873  0.633428  0.667437  1
  Ni  Ni87  1  1.000008  1.001460  0.634111  1
  Ni  Ni88  1  1.000008  0.501460  0.634111  1
  Ni  Ni89  1  0.157521  0.816580  0.650698  1
  Ni  Ni90  1  0.315873  0.133428  0.667437  1
  Ni  Ni91  1  0.500008  0.501460  0.634111  1
  Ni  Ni92  1  0.657521  0.816580  0.650698  1
  Ni  Ni93  1  0.815873  0.133428  0.667437  1
  Ni  Ni94  1  0.657521  0.316580  0.650698  1
  Ni  Ni95  1  0.815873  0.633428  0.667437  1
  Ni  Ni96  1  0.500008  1.001460  0.634111  1
  Ni  Ni97  1  0.630981  0.263873  0.700487  1
  Ni  Ni98  1  0.788208  0.578010  0.715992  1
  Ni  Ni99  1  0.473244  0.948199  0.683562  1
  Ni  Ni100  1  0.473244  0.448199  0.683562  1
  Ni  Ni101  1  0.630981  0.763873  0.700487  1
  Ni  Ni102  1  0.788208  0.078010  0.715992  1
  Ni  Ni103  1  0.973244  0.448199  0.683562  1
  Ni  Ni104  1  0.130981  0.763873  0.700487  1
  Ni  Ni105  1  0.288208  0.078010  0.715992  1
  Ni  Ni106  1  0.130981  0.263873  0.700487  1
  Ni  Ni107  1  0.288208  0.578010  0.715992  1
  Ni  Ni108  1  0.973244  0.948199  0.683562  1
