# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09374466
_cell_length_b   11.09495384
_cell_length_c   47.86314757
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082953
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5861.68555774
_cell_formula_units_Z   252
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  0.957350  0.290736  0.277107  1
  Ni  Ni2  1  0.290684  0.957403  0.277107  1
  Ni  Ni3  1  0.259701  0.259773  0.298391  1
  Ni  Ni4  1  0.624017  0.624070  0.277107  1
  Ni  Ni5  1  0.593034  0.926440  0.298391  1
  Ni  Ni6  1  0.563549  0.230285  0.321358  1
  Ni  Ni7  1  0.926367  0.593107  0.298391  1
  Ni  Ni8  1  0.896883  0.896952  0.321358  1
  Ni  Ni9  1  0.230216  0.563619  0.321358  1
  Ni  Ni10  1  0.093034  0.426440  0.298391  1
  Ni  Ni11  1  0.426367  0.093107  0.298391  1
  Ni  Ni12  1  0.396883  0.396952  0.321358  1
  Ni  Ni13  1  0.759701  0.759773  0.298391  1
  Ni  Ni14  1  0.730216  0.063619  0.321358  1
  Ni  Ni15  1  0.790684  0.457403  0.277107  1
  Ni  Ni16  1  0.063549  0.730285  0.321358  1
  Ni  Ni17  1  0.124017  0.124070  0.277107  1
  Ni  Ni18  1  0.457350  0.790736  0.277107  1
  Ni  Ni19  1  0.896883  0.396952  0.321358  1
  Ni  Ni20  1  0.230216  0.063619  0.321358  1
  Ni  Ni21  1  0.290684  0.457403  0.277107  1
  Ni  Ni22  1  0.563549  0.730285  0.321358  1
  Ni  Ni23  1  0.624017  0.124070  0.277107  1
  Ni  Ni24  1  0.593034  0.426440  0.298391  1
  Ni  Ni25  1  0.957350  0.790736  0.277107  1
  Ni  Ni26  1  0.926367  0.093107  0.298391  1
  Ni  Ni27  1  0.259701  0.759773  0.298391  1
  Ni  Ni28  1  0.063549  0.230285  0.321358  1
  Ni  Ni29  1  0.396883  0.896952  0.321358  1
  Ni  Ni30  1  0.457350  0.290736  0.277107  1
  Ni  Ni31  1  0.730216  0.563619  0.321358  1
  Ni  Ni32  1  0.790684  0.957403  0.277107  1
  Ni  Ni33  1  0.759701  0.259773  0.298391  1
  Ni  Ni34  1  0.124017  0.624070  0.277107  1
  Ni  Ni35  1  0.093034  0.926440  0.298391  1
  Ni  Ni36  1  0.426367  0.593107  0.298391  1
  Ni  Ni37  1  0.866502  0.199913  0.343022  1
  Ni  Ni38  1  0.199835  0.866579  0.343022  1
  Ni  Ni39  1  0.169542  0.169623  0.365533  1
  Ni  Ni40  1  0.533168  0.533246  0.343022  1
  Ni  Ni41  1  0.502876  0.836289  0.365533  1
  Ni  Ni42  1  0.472283  0.139036  0.387611  1
  Ni  Ni43  1  0.836209  0.502956  0.365533  1
  Ni  Ni44  1  0.805617  0.805703  0.387611  1
  Ni  Ni45  1  0.138950  0.472369  0.387611  1
  Ni  Ni46  1  0.002876  0.336289  0.365533  1
  Ni  Ni47  1  0.336209  0.002956  0.365533  1
  Ni  Ni48  1  0.305617  0.305703  0.387611  1
  Ni  Ni49  1  0.669542  0.669623  0.365533  1
  Ni  Ni50  1  0.638950  0.972369  0.387611  1
  Ni  Ni51  1  0.699835  0.366579  0.343022  1
  Ni  Ni52  1  0.972283  0.639036  0.387611  1
  Ni  Ni53  1  0.033168  0.033246  0.343022  1
  Ni  Ni54  1  0.366502  0.699913  0.343022  1
  Ni  Ni55  1  0.805617  0.305703  0.387611  1
  Ni  Ni56  1  0.138950  0.972369  0.387611  1
  Ni  Ni57  1  0.199835  0.366579  0.343022  1
  Ni  Ni58  1  0.472283  0.639036  0.387611  1
  Ni  Ni59  1  0.533168  0.033246  0.343022  1
  Ni  Ni60  1  0.502876  0.336289  0.365533  1
  Ni  Ni61  1  0.866502  0.699913  0.343022  1
  Ni  Ni62  1  0.836209  0.002956  0.365533  1
  Ni  Ni63  1  0.169542  0.669623  0.365533  1
  Ni  Ni64  1  0.972283  0.139036  0.387611  1
  Ni  Ni65  1  0.305617  0.805703  0.387611  1
  Ni  Ni66  1  0.366502  0.199913  0.343022  1
  Ni  Ni67  1  0.638950  0.472369  0.387611  1
  Ni  Ni68  1  0.699835  0.866579  0.343022  1
  Ni  Ni69  1  0.669542  0.169623  0.365533  1
  Ni  Ni70  1  0.033168  0.533246  0.343022  1
  Ni  Ni71  1  0.002876  0.836289  0.365533  1
  Ni  Ni72  1  0.336209  0.502956  0.365533  1
  Ni  Ni73  1  0.775143  0.108566  0.409960  1
  Ni  Ni74  1  0.108476  0.775233  0.409960  1
  Ni  Ni75  1  0.077927  0.078022  0.432150  1
  Ni  Ni76  1  0.441810  0.441900  0.409960  1
  Ni  Ni77  1  0.411260  0.744688  0.432150  1
  Ni  Ni78  1  0.380755  0.047521  0.454431  1
  Ni  Ni79  1  0.744593  0.411355  0.432150  1
  Ni  Ni80  1  0.714088  0.714188  0.454431  1
  Ni  Ni81  1  0.047421  0.380854  0.454431  1
  Ni  Ni82  1  0.911260  0.244688  0.432150  1
  Ni  Ni83  1  0.244593  0.911355  0.432150  1
  Ni  Ni84  1  0.214088  0.214188  0.454431  1
  Ni  Ni85  1  0.577927  0.578022  0.432150  1
  Ni  Ni86  1  0.547421  0.880854  0.454431  1
  Ni  Ni87  1  0.608476  0.275233  0.409960  1
  Ni  Ni88  1  0.880755  0.547521  0.454431  1
  Ni  Ni89  1  0.941810  0.941900  0.409960  1
  Ni  Ni90  1  0.275143  0.608566  0.409960  1
  Ni  Ni91  1  0.714088  0.214188  0.454431  1
  Ni  Ni92  1  0.047421  0.880854  0.454431  1
  Ni  Ni93  1  0.108476  0.275233  0.409960  1
  Ni  Ni94  1  0.380755  0.547521  0.454431  1
  Ni  Ni95  1  0.441810  0.941900  0.409960  1
  Ni  Ni96  1  0.411260  0.244688  0.432150  1
  Ni  Ni97  1  0.775143  0.608566  0.409960  1
  Ni  Ni98  1  0.744593  0.911355  0.432150  1
  Ni  Ni99  1  0.077927  0.578022  0.432150  1
  Ni  Ni100  1  0.880755  0.047521  0.454431  1
  Ni  Ni101  1  0.214088  0.714188  0.454431  1
  Ni  Ni102  1  0.275143  0.108566  0.409960  1
  Ni  Ni103  1  0.547421  0.380854  0.454431  1
  Ni  Ni104  1  0.608476  0.775233  0.409960  1
  Ni  Ni105  1  0.577927  0.078022  0.432150  1
  Ni  Ni106  1  0.941810  0.441900  0.409960  1
  Ni  Ni107  1  0.911260  0.744688  0.432150  1
  Ni  Ni108  1  0.244593  0.411355  0.432150  1
  Ni  Ni109  1  0.683559  0.016997  0.476663  1
  Ni  Ni110  1  0.016892  0.683663  0.476663  1
  Ni  Ni111  1  0.986374  0.986483  0.498916  1
  Ni  Ni112  1  0.350226  0.350330  0.476663  1
  Ni  Ni113  1  0.319707  0.653149  0.498916  1
  Ni  Ni114  1  0.289189  0.955969  0.521170  1
  Ni  Ni115  1  0.653041  0.319816  0.498916  1
  Ni  Ni116  1  0.622522  0.622636  0.521170  1
  Ni  Ni117  1  0.955856  0.289302  0.521170  1
  Ni  Ni118  1  0.819707  0.153149  0.498916  1
  Ni  Ni119  1  0.153041  0.819816  0.498916  1
  Ni  Ni120  1  0.122522  0.122636  0.521170  1
  Ni  Ni121  1  0.486374  0.486483  0.498916  1
  Ni  Ni122  1  0.455856  0.789302  0.521170  1
  Ni  Ni123  1  0.516892  0.183663  0.476663  1
  Ni  Ni124  1  0.789189  0.455969  0.521170  1
  Ni  Ni125  1  0.850226  0.850330  0.476663  1
  Ni  Ni126  1  0.183559  0.516997  0.476663  1
  Ni  Ni127  1  0.622522  0.122636  0.521170  1
  Ni  Ni128  1  0.955856  0.789302  0.521170  1
  Ni  Ni129  1  0.016892  0.183663  0.476663  1
  Ni  Ni130  1  0.289189  0.455969  0.521170  1
  Ni  Ni131  1  0.350226  0.850330  0.476663  1
  Ni  Ni132  1  0.319707  0.153149  0.498916  1
  Ni  Ni133  1  0.683559  0.516997  0.476663  1
  Ni  Ni134  1  0.653041  0.819816  0.498916  1
  Ni  Ni135  1  0.986374  0.486483  0.498916  1
  Ni  Ni136  1  0.789189  0.955969  0.521170  1
  Ni  Ni137  1  0.122522  0.622636  0.521170  1
  Ni  Ni138  1  0.183559  0.016997  0.476663  1
  Ni  Ni139  1  0.455856  0.289302  0.521170  1
  Ni  Ni140  1  0.516892  0.683663  0.476663  1
  Ni  Ni141  1  0.486374  0.986483  0.498916  1
  Ni  Ni142  1  0.850226  0.350330  0.476663  1
  Ni  Ni143  1  0.819707  0.653149  0.498916  1
  Ni  Ni144  1  0.153041  0.319816  0.498916  1
  Ni  Ni145  1  0.591993  0.925445  0.543401  1
  Ni  Ni146  1  0.925326  0.592111  0.543401  1
  Ni  Ni147  1  0.894821  0.894944  0.565683  1
  Ni  Ni148  1  0.258660  0.258778  0.543401  1
  Ni  Ni149  1  0.228155  0.561611  0.565683  1
  Ni  Ni150  1  0.197605  0.864399  0.587873  1
  Ni  Ni151  1  0.561488  0.228277  0.565683  1
  Ni  Ni152  1  0.530938  0.531066  0.587873  1
  Ni  Ni153  1  0.864272  0.197733  0.587873  1
  Ni  Ni154  1  0.728155  0.061611  0.565683  1
  Ni  Ni155  1  0.061488  0.728277  0.565683  1
  Ni  Ni156  1  0.030938  0.031066  0.587873  1
  Ni  Ni157  1  0.394821  0.394944  0.565683  1
  Ni  Ni158  1  0.364272  0.697733  0.587873  1
  Ni  Ni159  1  0.425326  0.092111  0.543401  1
  Ni  Ni160  1  0.697605  0.364399  0.587873  1
  Ni  Ni161  1  0.758660  0.758778  0.543401  1
  Ni  Ni162  1  0.091993  0.425445  0.543401  1
  Ni  Ni163  1  0.530938  0.031066  0.587873  1
  Ni  Ni164  1  0.864272  0.697733  0.587873  1
  Ni  Ni165  1  0.925326  0.092111  0.543401  1
  Ni  Ni166  1  0.197605  0.364399  0.587873  1
  Ni  Ni167  1  0.258660  0.758778  0.543401  1
  Ni  Ni168  1  0.228155  0.061611  0.565683  1
  Ni  Ni169  1  0.591993  0.425445  0.543401  1
  Ni  Ni170  1  0.561488  0.728277  0.565683  1
  Ni  Ni171  1  0.894821  0.394944  0.565683  1
  Ni  Ni172  1  0.697605  0.864399  0.587873  1
  Ni  Ni173  1  0.030938  0.531066  0.587873  1
  Ni  Ni174  1  0.091993  0.925445  0.543401  1
  Ni  Ni175  1  0.364272  0.197733  0.587873  1
  Ni  Ni176  1  0.425326  0.592111  0.543401  1
  Ni  Ni177  1  0.394821  0.894944  0.565683  1
  Ni  Ni178  1  0.758660  0.258778  0.543401  1
  Ni  Ni179  1  0.728155  0.561611  0.565683  1
  Ni  Ni180  1  0.061488  0.228277  0.565683  1
  Ni  Ni181  1  0.500465  0.833929  0.610221  1
  Ni  Ni182  1  0.833798  0.500596  0.610221  1
  Ni  Ni183  1  0.803206  0.803343  0.632299  1
  Ni  Ni184  1  0.167131  0.167263  0.610221  1
  Ni  Ni185  1  0.136539  0.470010  0.632299  1
  Ni  Ni186  1  0.106246  0.773053  0.654810  1
  Ni  Ni187  1  0.469872  0.136676  0.632299  1
  Ni  Ni188  1  0.439580  0.439719  0.654810  1
  Ni  Ni189  1  0.772913  0.106386  0.654810  1
  Ni  Ni190  1  0.636539  0.970010  0.632299  1
  Ni  Ni191  1  0.969872  0.636676  0.632299  1
  Ni  Ni192  1  0.939580  0.939719  0.654810  1
  Ni  Ni193  1  0.303206  0.303343  0.632299  1
  Ni  Ni194  1  0.272913  0.606386  0.654810  1
  Ni  Ni195  1  0.333798  1.000596  0.610221  1
  Ni  Ni196  1  0.606246  0.273053  0.654810  1
  Ni  Ni197  1  0.667131  0.667263  0.610221  1
  Ni  Ni198  1  1.000465  0.333929  0.610221  1
  Ni  Ni199  1  0.439580  0.939719  0.654810  1
  Ni  Ni200  1  0.772913  0.606386  0.654810  1
  Ni  Ni201  1  0.833798  1.000596  0.610221  1
  Ni  Ni202  1  0.106246  0.273053  0.654810  1
  Ni  Ni203  1  0.167131  0.667263  0.610221  1
  Ni  Ni204  1  0.136539  0.970010  0.632299  1
  Ni  Ni205  1  0.500465  0.333929  0.610221  1
  Ni  Ni206  1  0.469872  0.636676  0.632299  1
  Ni  Ni207  1  0.803206  0.303343  0.632299  1
  Ni  Ni208  1  0.606246  0.773053  0.654810  1
  Ni  Ni209  1  0.939580  0.439719  0.654810  1
  Ni  Ni210  1  1.000465  0.833929  0.610221  1
  Ni  Ni211  1  0.272913  0.106386  0.654810  1
  Ni  Ni212  1  0.333798  0.500596  0.610221  1
  Ni  Ni213  1  0.303206  0.803343  0.632299  1
  Ni  Ni214  1  0.667131  0.167263  0.610221  1
  Ni  Ni215  1  0.636539  0.470010  0.632299  1
  Ni  Ni216  1  0.969872  0.136676  0.632299  1
  Ni  Ni217  1  0.409199  0.742680  0.676474  1
  Ni  Ni218  1  0.742532  0.409347  0.676474  1
  Ni  Ni219  1  0.713047  0.713192  0.699442  1
  Ni  Ni220  1  0.075865  0.076013  0.676474  1
  Ni  Ni221  1  0.046381  0.379859  0.699442  1
  Ni  Ni222  1  0.015398  0.682229  0.720725  1
  Ni  Ni223  1  0.379714  0.046526  0.699442  1
  Ni  Ni224  1  0.348731  0.348896  0.720725  1
  Ni  Ni225  1  0.682064  0.015562  0.720725  1
  Ni  Ni226  1  0.546381  0.879859  0.699442  1
  Ni  Ni227  1  0.879714  0.546526  0.699442  1
  Ni  Ni228  1  0.848731  0.848896  0.720725  1
  Ni  Ni229  1  0.213047  0.213192  0.699442  1
  Ni  Ni230  1  0.182064  0.515562  0.720725  1
  Ni  Ni231  1  0.242532  0.909347  0.676474  1
  Ni  Ni232  1  0.515398  0.182229  0.720725  1
  Ni  Ni233  1  0.575865  0.576013  0.676474  1
  Ni  Ni234  1  0.909199  0.242680  0.676474  1
  Ni  Ni235  1  0.348731  0.848896  0.720725  1
  Ni  Ni236  1  0.682064  0.515562  0.720725  1
  Ni  Ni237  1  0.742532  0.909347  0.676474  1
  Ni  Ni238  1  0.015398  0.182229  0.720725  1
  Ni  Ni239  1  0.075865  0.576013  0.676474  1
  Ni  Ni240  1  0.046381  0.879859  0.699442  1
  Ni  Ni241  1  0.409199  0.242680  0.676474  1
  Ni  Ni242  1  0.379714  0.546526  0.699442  1
  Ni  Ni243  1  0.713047  0.213192  0.699442  1
  Ni  Ni244  1  0.515398  0.682229  0.720725  1
  Ni  Ni245  1  0.848731  0.348896  0.720725  1
  Ni  Ni246  1  0.909199  0.742680  0.676474  1
  Ni  Ni247  1  0.182064  0.015562  0.720725  1
  Ni  Ni248  1  0.242532  0.409347  0.676474  1
  Ni  Ni249  1  0.213047  0.713192  0.699442  1
  Ni  Ni250  1  0.575865  0.076013  0.676474  1
  Ni  Ni251  1  0.546381  0.379859  0.699442  1
  Ni  Ni252  1  0.879714  0.046526  0.699442  1
