# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99227975
_cell_length_b   11.07817882
_cell_length_c   48.57439059
_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   2618.40274548
_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  0.189137  0.877802  0.283206  1
  Ni  Ni2  1  0.344095  0.187720  0.298820  1
  Ni  Ni3  1  0.502617  0.505002  0.316561  1
  Ni  Ni4  1  0.344095  0.687720  0.298820  1
  Ni  Ni5  1  0.502617  0.005002  0.316561  1
  Ni  Ni6  1  0.189137  0.377802  0.283206  1
  Ni  Ni7  1  0.844095  0.687720  0.298820  1
  Ni  Ni8  1  0.002617  0.005002  0.316561  1
  Ni  Ni9  1  0.689137  0.377802  0.283206  1
  Ni  Ni10  1  0.689137  0.877802  0.283206  1
  Ni  Ni11  1  0.844095  0.187720  0.298820  1
  Ni  Ni12  1  0.002617  0.505002  0.316561  1
  Ni  Ni13  1  0.659798  0.819564  0.332222  1
  Ni  Ni14  1  0.818229  0.136560  0.349214  1
  Ni  Ni15  1  0.975496  0.451300  0.365932  1
  Ni  Ni16  1  0.818229  0.636560  0.349214  1
  Ni  Ni17  1  0.975496  0.951300  0.365932  1
  Ni  Ni18  1  0.659798  0.319564  0.332222  1
  Ni  Ni19  1  0.318229  0.636560  0.349214  1
  Ni  Ni20  1  0.475496  0.951300  0.365932  1
  Ni  Ni21  1  0.159798  0.319564  0.332222  1
  Ni  Ni22  1  0.159798  0.819564  0.332222  1
  Ni  Ni23  1  0.318229  0.136560  0.349214  1
  Ni  Ni24  1  0.475496  0.451300  0.365932  1
  Ni  Ni25  1  0.133419  0.767286  0.382559  1
  Ni  Ni26  1  0.291122  0.082880  0.399247  1
  Ni  Ni27  1  0.448845  0.398495  0.415949  1
  Ni  Ni28  1  0.291122  0.582880  0.399247  1
  Ni  Ni29  1  0.448845  0.898495  0.415949  1
  Ni  Ni30  1  0.133419  0.267286  0.382559  1
  Ni  Ni31  1  0.791122  0.582880  0.399247  1
  Ni  Ni32  1  0.948845  0.898495  0.415949  1
  Ni  Ni33  1  0.633419  0.267286  0.382559  1
  Ni  Ni34  1  0.633419  0.767286  0.382559  1
  Ni  Ni35  1  0.791122  0.082880  0.399247  1
  Ni  Ni36  1  0.948845  0.398495  0.415949  1
  Ni  Ni37  1  0.606575  0.714131  0.432613  1
  Ni  Ni38  1  0.764314  0.029783  0.449300  1
  Ni  Ni39  1  0.922036  0.345404  0.465983  1
  Ni  Ni40  1  0.764314  0.529783  0.449300  1
  Ni  Ni41  1  0.922036  0.845404  0.465983  1
  Ni  Ni42  1  0.606575  0.214131  0.432613  1
  Ni  Ni43  1  0.264314  0.529783  0.449300  1
  Ni  Ni44  1  0.422036  0.845404  0.465983  1
  Ni  Ni45  1  0.106575  0.214131  0.432613  1
  Ni  Ni46  1  0.106575  0.714131  0.432613  1
  Ni  Ni47  1  0.264314  0.029783  0.449300  1
  Ni  Ni48  1  0.422036  0.345404  0.465983  1
  Ni  Ni49  1  0.079770  0.661046  0.482662  1
  Ni  Ni50  1  0.237500  0.976680  0.499344  1
  Ni  Ni51  1  0.395229  0.292315  0.516027  1
  Ni  Ni52  1  0.237500  0.476680  0.499344  1
  Ni  Ni53  1  0.395229  0.792315  0.516027  1
  Ni  Ni54  1  0.079770  0.161046  0.482662  1
  Ni  Ni55  1  0.737500  0.476680  0.499344  1
  Ni  Ni56  1  0.895229  0.792315  0.516027  1
  Ni  Ni57  1  0.579770  0.161046  0.482662  1
  Ni  Ni58  1  0.579770  0.661046  0.482662  1
  Ni  Ni59  1  0.737500  0.976680  0.499344  1
  Ni  Ni60  1  0.895229  0.292315  0.516027  1
  Ni  Ni61  1  0.552963  0.607957  0.532706  1
  Ni  Ni62  1  0.710685  0.923577  0.549389  1
  Ni  Ni63  1  0.868424  0.239230  0.566076  1
  Ni  Ni64  1  0.710685  0.423577  0.549389  1
  Ni  Ni65  1  0.868424  0.739230  0.566076  1
  Ni  Ni66  1  0.552963  0.107957  0.532706  1
  Ni  Ni67  1  0.210685  0.423577  0.549389  1
  Ni  Ni68  1  0.368424  0.739230  0.566076  1
  Ni  Ni69  1  0.052963  0.107957  0.532706  1
  Ni  Ni70  1  0.052963  0.607957  0.532706  1
  Ni  Ni71  1  0.210685  0.923577  0.549389  1
  Ni  Ni72  1  0.368424  0.239230  0.566076  1
  Ni  Ni73  1  0.026154  0.554865  0.582739  1
  Ni  Ni74  1  0.183877  0.870480  0.599442  1
  Ni  Ni75  1  0.341580  0.186075  0.616130  1
  Ni  Ni76  1  0.183877  0.370480  0.599442  1
  Ni  Ni77  1  0.341580  0.686075  0.616130  1
  Ni  Ni78  1  0.026154  0.054865  0.582739  1
  Ni  Ni79  1  0.683877  0.370480  0.599442  1
  Ni  Ni80  1  0.841580  0.686075  0.616130  1
  Ni  Ni81  1  0.526154  0.054865  0.582739  1
  Ni  Ni82  1  0.526154  0.554865  0.582739  1
  Ni  Ni83  1  0.683877  0.870480  0.599442  1
  Ni  Ni84  1  0.841580  0.186075  0.616130  1
  Ni  Ni85  1  0.499503  0.502061  0.632757  1
  Ni  Ni86  1  0.656770  0.816800  0.649474  1
  Ni  Ni87  1  0.815201  0.133797  0.666466  1
  Ni  Ni88  1  0.656770  0.316800  0.649474  1
  Ni  Ni89  1  0.815201  0.633797  0.666466  1
  Ni  Ni90  1  0.499503  1.002061  0.632757  1
  Ni  Ni91  1  0.156770  0.316800  0.649474  1
  Ni  Ni92  1  0.315201  0.633797  0.666466  1
  Ni  Ni93  1  0.999503  1.002061  0.632757  1
  Ni  Ni94  1  0.999503  0.502061  0.632757  1
  Ni  Ni95  1  0.156770  0.816800  0.649474  1
  Ni  Ni96  1  0.315201  0.133797  0.666466  1
  Ni  Ni97  1  0.972382  0.448359  0.682127  1
  Ni  Ni98  1  0.130904  0.765641  0.699868  1
  Ni  Ni99  1  0.285863  0.075559  0.715482  1
  Ni  Ni100  1  0.130904  0.265641  0.699868  1
  Ni  Ni101  1  0.285863  0.575559  0.715482  1
  Ni  Ni102  1  0.972382  0.948359  0.682127  1
  Ni  Ni103  1  0.630904  0.265641  0.699868  1
  Ni  Ni104  1  0.785863  0.575559  0.715482  1
  Ni  Ni105  1  0.472382  0.948359  0.682127  1
  Ni  Ni106  1  0.472382  0.448359  0.682127  1
  Ni  Ni107  1  0.630904  0.765641  0.699868  1
  Ni  Ni108  1  0.785863  0.075559  0.715482  1
