# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96688148
_cell_length_b   11.07074315
_cell_length_c   48.57517190
_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   2603.37494285
_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  0.022865  0.709161  0.282744  1
  Ni  Ni2  1  0.178138  0.019642  0.297880  1
  Ni  Ni3  1  0.337317  0.338114  0.315686  1
  Ni  Ni4  1  0.337317  0.838114  0.315686  1
  Ni  Ni5  1  0.022865  0.209161  0.282744  1
  Ni  Ni6  1  0.178138  0.519642  0.297880  1
  Ni  Ni7  1  0.837317  0.838114  0.315686  1
  Ni  Ni8  1  0.522865  0.209161  0.282744  1
  Ni  Ni9  1  0.678138  0.519642  0.297880  1
  Ni  Ni10  1  0.522865  0.709161  0.282744  1
  Ni  Ni11  1  0.678138  0.019642  0.297880  1
  Ni  Ni12  1  0.837317  0.338114  0.315686  1
  Ni  Ni13  1  0.494112  0.651805  0.331990  1
  Ni  Ni14  1  0.652843  0.969334  0.348776  1
  Ni  Ni15  1  0.810249  0.284253  0.365275  1
  Ni  Ni16  1  0.810249  0.784253  0.365275  1
  Ni  Ni17  1  0.494112  0.151805  0.331990  1
  Ni  Ni18  1  0.652843  0.469334  0.348776  1
  Ni  Ni19  1  0.310249  0.784253  0.365275  1
  Ni  Ni20  1  0.994112  0.151805  0.331990  1
  Ni  Ni21  1  0.152843  0.469334  0.348776  1
  Ni  Ni22  1  0.994112  0.651805  0.331990  1
  Ni  Ni23  1  0.152843  0.969334  0.348776  1
  Ni  Ni24  1  0.310249  0.284253  0.365275  1
  Ni  Ni25  1  0.968215  0.600259  0.382081  1
  Ni  Ni26  1  0.125871  0.915665  0.398684  1
  Ni  Ni27  1  0.283748  0.231498  0.415380  1
  Ni  Ni28  1  0.283748  0.731498  0.415380  1
  Ni  Ni29  1  0.968215  0.100259  0.382081  1
  Ni  Ni30  1  0.125871  0.415665  0.398684  1
  Ni  Ni31  1  0.783748  0.731498  0.415380  1
  Ni  Ni32  1  0.468215  0.100259  0.382081  1
  Ni  Ni33  1  0.625871  0.415665  0.398684  1
  Ni  Ni34  1  0.468215  0.600259  0.382081  1
  Ni  Ni35  1  0.625871  0.915665  0.398684  1
  Ni  Ni36  1  0.783748  0.231498  0.415380  1
  Ni  Ni37  1  0.441490  0.547071  0.432046  1
  Ni  Ni38  1  0.599299  0.862771  0.448722  1
  Ni  Ni39  1  0.757079  0.178419  0.465392  1
  Ni  Ni40  1  0.757079  0.678419  0.465392  1
  Ni  Ni41  1  0.441490  0.047071  0.432046  1
  Ni  Ni42  1  0.599299  0.362771  0.448722  1
  Ni  Ni43  1  0.257079  0.678419  0.465392  1
  Ni  Ni44  1  0.941490  0.047071  0.432046  1
  Ni  Ni45  1  0.099299  0.362771  0.448722  1
  Ni  Ni46  1  0.941490  0.547071  0.432046  1
  Ni  Ni47  1  0.099299  0.862771  0.448722  1
  Ni  Ni48  1  0.257079  0.178419  0.465392  1
  Ni  Ni49  1  0.914872  0.494088  0.482067  1
  Ni  Ni50  1  0.072659  0.809749  0.498738  1
  Ni  Ni51  1  0.230447  0.125409  0.515410  1
  Ni  Ni52  1  0.230447  0.625409  0.515410  1
  Ni  Ni53  1  0.914872  0.994088  0.482067  1
  Ni  Ni54  1  0.072659  0.309749  0.498738  1
  Ni  Ni55  1  0.730447  0.625409  0.515410  1
  Ni  Ni56  1  0.414872  0.994088  0.482067  1
  Ni  Ni57  1  0.572659  0.309749  0.498738  1
  Ni  Ni58  1  0.414872  0.494088  0.482067  1
  Ni  Ni59  1  0.572659  0.809749  0.498738  1
  Ni  Ni60  1  0.730447  0.125409  0.515410  1
  Ni  Ni61  1  0.388239  0.441078  0.532085  1
  Ni  Ni62  1  0.546020  0.756726  0.548754  1
  Ni  Ni63  1  0.703828  0.072427  0.565431  1
  Ni  Ni64  1  0.703828  0.572427  0.565431  1
  Ni  Ni65  1  0.388239  0.941078  0.532085  1
  Ni  Ni66  1  0.546020  0.256726  0.548754  1
  Ni  Ni67  1  0.203828  0.572427  0.565431  1
  Ni  Ni68  1  0.888239  0.941078  0.532085  1
  Ni  Ni69  1  0.046020  0.256726  0.548754  1
  Ni  Ni70  1  0.888239  0.441078  0.532085  1
  Ni  Ni71  1  0.046020  0.756726  0.548754  1
  Ni  Ni72  1  0.203828  0.072427  0.565431  1
  Ni  Ni73  1  0.861570  0.388000  0.582097  1
  Ni  Ni74  1  0.019447  0.703833  0.598793  1
  Ni  Ni75  1  0.177103  0.019238  0.615396  1
  Ni  Ni76  1  0.177103  0.519238  0.615396  1
  Ni  Ni77  1  0.861570  0.888000  0.582097  1
  Ni  Ni78  1  0.019447  0.203833  0.598793  1
  Ni  Ni79  1  0.677103  0.519238  0.615396  1
  Ni  Ni80  1  0.361570  0.888000  0.582097  1
  Ni  Ni81  1  0.519447  0.203833  0.598793  1
  Ni  Ni82  1  0.361570  0.388000  0.582097  1
  Ni  Ni83  1  0.519447  0.703833  0.598793  1
  Ni  Ni84  1  0.677103  0.019238  0.615396  1
  Ni  Ni85  1  0.335070  0.335244  0.632201  1
  Ni  Ni86  1  0.492475  0.650164  0.648701  1
  Ni  Ni87  1  0.651206  0.967692  0.665486  1
  Ni  Ni88  1  0.651206  0.467692  0.665486  1
  Ni  Ni89  1  0.335070  0.835244  0.632201  1
  Ni  Ni90  1  0.492475  0.150164  0.648701  1
  Ni  Ni91  1  0.151206  0.467692  0.665486  1
  Ni  Ni92  1  0.835070  0.835244  0.632201  1
  Ni  Ni93  1  0.992475  0.150164  0.648701  1
  Ni  Ni94  1  0.835070  0.335244  0.632201  1
  Ni  Ni95  1  0.992475  0.650164  0.648701  1
  Ni  Ni96  1  0.151206  0.967692  0.665486  1
  Ni  Ni97  1  0.808001  0.281383  0.681791  1
  Ni  Ni98  1  0.967181  0.599855  0.699597  1
  Ni  Ni99  1  0.122453  0.910337  0.714733  1
  Ni  Ni100  1  0.122453  0.410337  0.714733  1
  Ni  Ni101  1  0.808001  0.781383  0.681791  1
  Ni  Ni102  1  0.967181  0.099855  0.699597  1
  Ni  Ni103  1  0.622453  0.410337  0.714733  1
  Ni  Ni104  1  0.308001  0.781383  0.681791  1
  Ni  Ni105  1  0.467181  0.099855  0.699597  1
  Ni  Ni106  1  0.308001  0.281383  0.681791  1
  Ni  Ni107  1  0.467181  0.599855  0.699597  1
  Ni  Ni108  1  0.622453  0.910337  0.714733  1
