# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97003445
_cell_length_b   11.07839481
_cell_length_c   48.47200452
_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   2601.29148847
_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  0.844360  0.686184  0.299516  1
  Ni  Ni2  1  0.002993  0.003577  0.316797  1
  Ni  Ni3  1  0.688582  0.374630  0.283811  1
  Ni  Ni4  1  0.688582  0.874630  0.283811  1
  Ni  Ni5  1  0.844360  0.186184  0.299516  1
  Ni  Ni6  1  0.002993  0.503577  0.316797  1
  Ni  Ni7  1  0.188582  0.874630  0.283811  1
  Ni  Ni8  1  0.344360  0.186184  0.299516  1
  Ni  Ni9  1  0.502993  0.503577  0.316797  1
  Ni  Ni10  1  0.344360  0.686184  0.299516  1
  Ni  Ni11  1  0.502993  0.003577  0.316797  1
  Ni  Ni12  1  0.188582  0.374630  0.283811  1
  Ni  Ni13  1  0.318842  0.635467  0.349544  1
  Ni  Ni14  1  0.476328  0.950551  0.366166  1
  Ni  Ni15  1  0.160347  0.318420  0.332779  1
  Ni  Ni16  1  0.160347  0.818420  0.332779  1
  Ni  Ni17  1  0.318842  0.135467  0.349544  1
  Ni  Ni18  1  0.476328  0.450551  0.366166  1
  Ni  Ni19  1  0.660347  0.818420  0.332779  1
  Ni  Ni20  1  0.818842  0.135467  0.349544  1
  Ni  Ni21  1  0.976328  0.450551  0.366166  1
  Ni  Ni22  1  0.818842  0.635467  0.349544  1
  Ni  Ni23  1  0.976328  0.950551  0.366166  1
  Ni  Ni24  1  0.660347  0.318420  0.332779  1
  Ni  Ni25  1  0.791983  0.581986  0.399593  1
  Ni  Ni26  1  0.949816  0.897712  0.416299  1
  Ni  Ni27  1  0.634227  0.266402  0.382911  1
  Ni  Ni28  1  0.634227  0.766402  0.382911  1
  Ni  Ni29  1  0.791983  0.081986  0.399593  1
  Ni  Ni30  1  0.949816  0.397712  0.416299  1
  Ni  Ni31  1  0.134227  0.766402  0.382911  1
  Ni  Ni32  1  0.291983  0.081986  0.399593  1
  Ni  Ni33  1  0.449816  0.397712  0.416299  1
  Ni  Ni34  1  0.291983  0.581986  0.399593  1
  Ni  Ni35  1  0.449816  0.897712  0.416299  1
  Ni  Ni36  1  0.134227  0.266402  0.382911  1
  Ni  Ni37  1  0.265419  0.529045  0.449699  1
  Ni  Ni38  1  0.423224  0.844719  0.466399  1
  Ni  Ni39  1  0.107610  0.213365  0.432999  1
  Ni  Ni40  1  0.107610  0.713365  0.432999  1
  Ni  Ni41  1  0.265419  0.029045  0.449699  1
  Ni  Ni42  1  0.423224  0.344719  0.466399  1
  Ni  Ni43  1  0.607610  0.713365  0.432999  1
  Ni  Ni44  1  0.765419  0.029045  0.449699  1
  Ni  Ni45  1  0.923224  0.344719  0.466399  1
  Ni  Ni46  1  0.765419  0.529045  0.449699  1
  Ni  Ni47  1  0.923224  0.844719  0.466399  1
  Ni  Ni48  1  0.607610  0.213365  0.432999  1
  Ni  Ni49  1  0.738835  0.476068  0.499800  1
  Ni  Ni50  1  0.896640  0.791743  0.516500  1
  Ni  Ni51  1  0.581029  0.160394  0.483100  1
  Ni  Ni52  1  0.581029  0.660394  0.483100  1
  Ni  Ni53  1  0.738835  0.976068  0.499800  1
  Ni  Ni54  1  0.896640  0.291743  0.516500  1
  Ni  Ni55  1  0.081029  0.660394  0.483100  1
  Ni  Ni56  1  0.238835  0.976068  0.499800  1
  Ni  Ni57  1  0.396640  0.291743  0.516500  1
  Ni  Ni58  1  0.238835  0.476068  0.499800  1
  Ni  Ni59  1  0.396640  0.791743  0.516500  1
  Ni  Ni60  1  0.081029  0.160394  0.483100  1
  Ni  Ni61  1  0.212251  0.423091  0.549900  1
  Ni  Ni62  1  0.370060  0.738772  0.566600  1
  Ni  Ni63  1  0.054446  0.107417  0.533200  1
  Ni  Ni64  1  0.054446  0.607417  0.533200  1
  Ni  Ni65  1  0.212251  0.923091  0.549900  1
  Ni  Ni66  1  0.370060  0.238772  0.566600  1
  Ni  Ni67  1  0.554446  0.607417  0.533200  1
  Ni  Ni68  1  0.712251  0.923091  0.549900  1
  Ni  Ni69  1  0.870060  0.238772  0.566600  1
  Ni  Ni70  1  0.712251  0.423091  0.549900  1
  Ni  Ni71  1  0.870060  0.738772  0.566600  1
  Ni  Ni72  1  0.554446  0.107417  0.533200  1
  Ni  Ni73  1  0.685686  0.370150  0.600007  1
  Ni  Ni74  1  0.843442  0.685734  0.616688  1
  Ni  Ni75  1  0.527853  0.054424  0.583301  1
  Ni  Ni76  1  0.527853  0.554424  0.583301  1
  Ni  Ni77  1  0.685686  0.870150  0.600007  1
  Ni  Ni78  1  0.843442  0.185734  0.616688  1
  Ni  Ni79  1  0.027853  0.554424  0.583301  1
  Ni  Ni80  1  0.185686  0.870150  0.600007  1
  Ni  Ni81  1  0.343442  0.185734  0.616688  1
  Ni  Ni82  1  0.185686  0.370150  0.600007  1
  Ni  Ni83  1  0.343442  0.685734  0.616688  1
  Ni  Ni84  1  0.027853  0.054424  0.583301  1
  Ni  Ni85  1  0.158828  0.316670  0.650056  1
  Ni  Ni86  1  0.317323  0.633716  0.666820  1
  Ni  Ni87  1  1.001341  1.001586  0.633434  1
  Ni  Ni88  1  1.001341  0.501586  0.633434  1
  Ni  Ni89  1  0.158828  0.816670  0.650056  1
  Ni  Ni90  1  0.317323  0.133716  0.666820  1
  Ni  Ni91  1  0.501341  0.501586  0.633434  1
  Ni  Ni92  1  0.658828  0.816670  0.650056  1
  Ni  Ni93  1  0.817323  0.133716  0.666820  1
  Ni  Ni94  1  0.658828  0.316670  0.650056  1
  Ni  Ni95  1  0.817323  0.633716  0.666820  1
  Ni  Ni96  1  0.501341  1.001586  0.633434  1
  Ni  Ni97  1  0.633309  0.265953  0.700083  1
  Ni  Ni98  1  0.789088  0.577506  0.715788  1
  Ni  Ni99  1  0.474677  0.948559  0.682803  1
  Ni  Ni100  1  0.474677  0.448559  0.682803  1
  Ni  Ni101  1  0.633309  0.765953  0.700083  1
  Ni  Ni102  1  0.789088  0.077506  0.715788  1
  Ni  Ni103  1  0.974677  0.448559  0.682803  1
  Ni  Ni104  1  0.133309  0.765953  0.700083  1
  Ni  Ni105  1  0.289088  0.077506  0.715788  1
  Ni  Ni106  1  0.133309  0.265953  0.700083  1
  Ni  Ni107  1  0.289088  0.577506  0.715788  1
  Ni  Ni108  1  0.974677  0.948559  0.682803  1
