# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.96355564
_cell_length_b   12.66935042
_cell_length_c   47.17294286
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   113.09346927
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5477.54981312
_cell_formula_units_Z   216
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  0.123043  0.038288  0.331247  1
  Ni  Ni2  1  0.623043  0.038288  0.331247  1
  Ni  Ni3  1  0.555353  0.402700  0.314301  1
  Ni  Ni4  1  0.989817  0.771643  0.298576  1
  Ni  Ni5  1  0.055353  0.402700  0.314301  1
  Ni  Ni6  1  0.489817  0.771643  0.298576  1
  Ni  Ni7  1  0.587746  0.217583  0.321795  1
  Ni  Ni8  1  0.087746  0.217583  0.321795  1
  Ni  Ni9  1  0.022513  0.586992  0.306404  1
  Ni  Ni10  1  0.456737  0.955652  0.291697  1
  Ni  Ni11  1  0.522513  0.586992  0.306404  1
  Ni  Ni12  1  0.956737  0.955652  0.291697  1
  Ni  Ni13  1  0.337746  0.217583  0.321795  1
  Ni  Ni14  1  0.837746  0.217583  0.321795  1
  Ni  Ni15  1  0.772513  0.586992  0.306404  1
  Ni  Ni16  1  0.206737  0.955652  0.291697  1
  Ni  Ni17  1  0.272513  0.586992  0.306404  1
  Ni  Ni18  1  0.706737  0.955652  0.291697  1
  Ni  Ni19  1  0.373043  0.038288  0.331247  1
  Ni  Ni20  1  0.873043  0.038288  0.331247  1
  Ni  Ni21  1  0.805353  0.402700  0.314301  1
  Ni  Ni22  1  0.239817  0.771643  0.298576  1
  Ni  Ni23  1  0.305353  0.402700  0.314301  1
  Ni  Ni24  1  0.739817  0.771643  0.298576  1
  Ni  Ni25  1  0.827792  0.947982  0.378035  1
  Ni  Ni26  1  0.327792  0.947982  0.378035  1
  Ni  Ni27  1  0.259489  0.311304  0.361132  1
  Ni  Ni28  1  0.691875  0.675966  0.345625  1
  Ni  Ni29  1  0.759489  0.311304  0.361132  1
  Ni  Ni30  1  0.191875  0.675966  0.345625  1
  Ni  Ni31  1  0.294257  0.130886  0.370025  1
  Ni  Ni32  1  0.794257  0.130886  0.370025  1
  Ni  Ni33  1  0.725820  0.493899  0.353420  1
  Ni  Ni34  1  0.157609  0.857424  0.338073  1
  Ni  Ni35  1  0.225820  0.493899  0.353420  1
  Ni  Ni36  1  0.657609  0.857424  0.338073  1
  Ni  Ni37  1  0.044257  0.130886  0.370025  1
  Ni  Ni38  1  0.544257  0.130886  0.370025  1
  Ni  Ni39  1  0.475820  0.493899  0.353420  1
  Ni  Ni40  1  0.907609  0.857424  0.338073  1
  Ni  Ni41  1  0.975820  0.493899  0.353420  1
  Ni  Ni42  1  0.407609  0.857424  0.338073  1
  Ni  Ni43  1  0.077792  0.947982  0.378035  1
  Ni  Ni44  1  0.577792  0.947982  0.378035  1
  Ni  Ni45  1  0.509489  0.311304  0.361132  1
  Ni  Ni46  1  0.941875  0.675966  0.345625  1
  Ni  Ni47  1  0.009489  0.311304  0.361132  1
  Ni  Ni48  1  0.441875  0.675966  0.345625  1
  Ni  Ni49  1  0.532094  0.856793  0.425452  1
  Ni  Ni50  1  0.032094  0.856793  0.425452  1
  Ni  Ni51  1  0.964331  0.221196  0.409473  1
  Ni  Ni52  1  0.395834  0.584118  0.393336  1
  Ni  Ni53  1  0.464331  0.221196  0.409473  1
  Ni  Ni54  1  0.895834  0.584118  0.393336  1
  Ni  Ni55  1  0.998291  0.039154  0.417597  1
  Ni  Ni56  1  0.498291  0.039154  0.417597  1
  Ni  Ni57  1  0.429861  0.402220  0.401124  1
  Ni  Ni58  1  0.861731  0.765878  0.385613  1
  Ni  Ni59  1  0.929861  0.402220  0.401124  1
  Ni  Ni60  1  0.361731  0.765878  0.385613  1
  Ni  Ni61  1  0.748291  0.039154  0.417597  1
  Ni  Ni62  1  0.248291  0.039154  0.417597  1
  Ni  Ni63  1  0.179861  0.402220  0.401124  1
  Ni  Ni64  1  0.611731  0.765878  0.385613  1
  Ni  Ni65  1  0.679861  0.402220  0.401124  1
  Ni  Ni66  1  0.111731  0.765878  0.385613  1
  Ni  Ni67  1  0.782094  0.856793  0.425452  1
  Ni  Ni68  1  0.282094  0.856793  0.425452  1
  Ni  Ni69  1  0.214331  0.221196  0.409473  1
  Ni  Ni70  1  0.645834  0.584118  0.393336  1
  Ni  Ni71  1  0.714331  0.221196  0.409473  1
  Ni  Ni72  1  0.145834  0.584118  0.393336  1
  Ni  Ni73  1  0.236456  0.765738  0.473063  1
  Ni  Ni74  1  0.736456  0.765738  0.473063  1
  Ni  Ni75  1  0.668529  0.129810  0.457206  1
  Ni  Ni76  1  0.100176  0.493030  0.441049  1
  Ni  Ni77  1  0.168529  0.129810  0.457206  1
  Ni  Ni78  1  0.600176  0.493030  0.441049  1
  Ni  Ni79  1  0.702464  0.947717  0.465164  1
  Ni  Ni80  1  0.202464  0.947717  0.465164  1
  Ni  Ni81  1  0.134445  0.311605  0.449130  1
  Ni  Ni82  1  0.566096  0.674832  0.433230  1
  Ni  Ni83  1  0.634445  0.311605  0.449130  1
  Ni  Ni84  1  0.066096  0.674832  0.433230  1
  Ni  Ni85  1  0.452464  0.947717  0.465164  1
  Ni  Ni86  1  0.952464  0.947717  0.465164  1
  Ni  Ni87  1  0.884445  0.311605  0.449130  1
  Ni  Ni88  1  0.316096  0.674832  0.433230  1
  Ni  Ni89  1  0.384445  0.311605  0.449130  1
  Ni  Ni90  1  0.816096  0.674832  0.433230  1
  Ni  Ni91  1  0.486456  0.765738  0.473063  1
  Ni  Ni92  1  0.986456  0.765738  0.473063  1
  Ni  Ni93  1  0.918529  0.129810  0.457206  1
  Ni  Ni94  1  0.350176  0.493030  0.441049  1
  Ni  Ni95  1  0.418529  0.129810  0.457206  1
  Ni  Ni96  1  0.850176  0.493030  0.441049  1
  Ni  Ni97  1  0.940911  0.674867  0.520792  1
  Ni  Ni98  1  0.440911  0.674867  0.520792  1
  Ni  Ni99  1  0.372715  0.038402  0.504853  1
  Ni  Ni100  1  0.804667  0.402232  0.488875  1
  Ni  Ni101  1  0.872715  0.038402  0.504853  1
  Ni  Ni102  1  0.304667  0.402232  0.488875  1
  Ni  Ni103  1  0.406776  0.856560  0.512846  1
  Ni  Ni104  1  0.906776  0.856560  0.512846  1
  Ni  Ni105  1  0.838728  0.220391  0.496868  1
  Ni  Ni106  1  0.270532  0.583925  0.480930  1
  Ni  Ni107  1  0.338728  0.220391  0.496868  1
  Ni  Ni108  1  0.770532  0.583925  0.480930  1
  Ni  Ni109  1  0.156776  0.856560  0.512846  1
  Ni  Ni110  1  0.656776  0.856560  0.512846  1
  Ni  Ni111  1  0.588728  0.220391  0.496868  1
  Ni  Ni112  1  0.020532  0.583925  0.480930  1
  Ni  Ni113  1  0.088728  0.220391  0.496868  1
  Ni  Ni114  1  0.520532  0.583925  0.480930  1
  Ni  Ni115  1  0.190911  0.674867  0.520792  1
  Ni  Ni116  1  0.690911  0.674867  0.520792  1
  Ni  Ni117  1  0.622715  0.038402  0.504853  1
  Ni  Ni118  1  0.054667  0.402232  0.488875  1
  Ni  Ni119  1  0.122715  0.038402  0.504853  1
  Ni  Ni120  1  0.554667  0.402232  0.488875  1
  Ni  Ni121  1  0.645347  0.583961  0.568491  1
  Ni  Ni122  1  0.145347  0.583961  0.568491  1
  Ni  Ni123  1  0.076998  0.947187  0.552592  1
  Ni  Ni124  1  0.508979  0.311076  0.536558  1
  Ni  Ni125  1  0.576998  0.947187  0.552592  1
  Ni  Ni126  1  0.008979  0.311076  0.536558  1
  Ni  Ni127  1  0.111267  0.765762  0.560672  1
  Ni  Ni128  1  0.611267  0.765762  0.560672  1
  Ni  Ni129  1  0.542914  0.128982  0.544516  1
  Ni  Ni130  1  0.974986  0.493054  0.528659  1
  Ni  Ni131  1  0.042914  0.128982  0.544516  1
  Ni  Ni132  1  0.474986  0.493054  0.528659  1
  Ni  Ni133  1  0.861267  0.765762  0.560672  1
  Ni  Ni134  1  0.361267  0.765762  0.560672  1
  Ni  Ni135  1  0.292914  0.128982  0.544516  1
  Ni  Ni136  1  0.724986  0.493054  0.528659  1
  Ni  Ni137  1  0.792914  0.128982  0.544516  1
  Ni  Ni138  1  0.224986  0.493054  0.528659  1
  Ni  Ni139  1  0.895347  0.583961  0.568491  1
  Ni  Ni140  1  0.395347  0.583961  0.568491  1
  Ni  Ni141  1  0.326998  0.947187  0.552592  1
  Ni  Ni142  1  0.758979  0.311076  0.536558  1
  Ni  Ni143  1  0.826998  0.947187  0.552592  1
  Ni  Ni144  1  0.258979  0.311076  0.536558  1
  Ni  Ni145  1  0.349712  0.492915  0.616109  1
  Ni  Ni146  1  0.849712  0.492915  0.616109  1
  Ni  Ni147  1  0.781581  0.856573  0.600597  1
  Ni  Ni148  1  0.213152  0.219639  0.584125  1
  Ni  Ni149  1  0.281581  0.856573  0.600597  1
  Ni  Ni150  1  0.713152  0.219639  0.584125  1
  Ni  Ni151  1  0.815609  0.674675  0.608385  1
  Ni  Ni152  1  0.315609  0.674675  0.608385  1
  Ni  Ni153  1  0.247112  0.037597  0.592249  1
  Ni  Ni154  1  0.679348  0.401999  0.576269  1
  Ni  Ni155  1  0.747112  0.037597  0.592249  1
  Ni  Ni156  1  0.179348  0.401999  0.576269  1
  Ni  Ni157  1  0.565609  0.674675  0.608385  1
  Ni  Ni158  1  0.065609  0.674675  0.608385  1
  Ni  Ni159  1  0.997112  0.037597  0.592249  1
  Ni  Ni160  1  0.429348  0.401999  0.576269  1
  Ni  Ni161  1  0.497112  0.037597  0.592249  1
  Ni  Ni162  1  0.929348  0.401999  0.576269  1
  Ni  Ni163  1  0.599712  0.492915  0.616109  1
  Ni  Ni164  1  0.099712  0.492915  0.616109  1
  Ni  Ni165  1  0.031581  0.856573  0.600597  1
  Ni  Ni166  1  0.463152  0.219639  0.584125  1
  Ni  Ni167  1  0.531581  0.856573  0.600597  1
  Ni  Ni168  1  0.963152  0.219639  0.584125  1
  Ni  Ni169  1  0.053833  0.401369  0.663649  1
  Ni  Ni170  1  0.553833  0.401369  0.663649  1
  Ni  Ni171  1  0.485622  0.764894  0.648302  1
  Ni  Ni172  1  0.917185  0.127906  0.631697  1
  Ni  Ni173  1  0.985622  0.764894  0.648302  1
  Ni  Ni174  1  0.417185  0.127906  0.631697  1
  Ni  Ni175  1  0.519568  0.582827  0.656097  1
  Ni  Ni176  1  0.019568  0.582827  0.656097  1
  Ni  Ni177  1  0.951954  0.947488  0.640590  1
  Ni  Ni178  1  0.383651  0.310810  0.623686  1
  Ni  Ni179  1  0.451954  0.947488  0.640590  1
  Ni  Ni180  1  0.883651  0.310810  0.623686  1
  Ni  Ni181  1  0.269568  0.582827  0.656097  1
  Ni  Ni182  1  0.769568  0.582827  0.656097  1
  Ni  Ni183  1  0.701954  0.947488  0.640590  1
  Ni  Ni184  1  0.133651  0.310810  0.623686  1
  Ni  Ni185  1  0.201954  0.947488  0.640590  1
  Ni  Ni186  1  0.633651  0.310810  0.623686  1
  Ni  Ni187  1  0.303833  0.401369  0.663649  1
  Ni  Ni188  1  0.803833  0.401369  0.663649  1
  Ni  Ni189  1  0.735622  0.764894  0.648302  1
  Ni  Ni190  1  0.167185  0.127906  0.631697  1
  Ni  Ni191  1  0.235622  0.764894  0.648302  1
  Ni  Ni192  1  0.667185  0.127906  0.631697  1
  Ni  Ni193  1  0.754706  0.303140  0.710025  1
  Ni  Ni194  1  0.254706  0.303140  0.710025  1
  Ni  Ni195  1  0.188930  0.671800  0.695318  1
  Ni  Ni196  1  0.623697  0.041210  0.679926  1
  Ni  Ni197  1  0.688930  0.671800  0.695318  1
  Ni  Ni198  1  0.123697  0.041210  0.679926  1
  Ni  Ni199  1  0.221626  0.487149  0.703146  1
  Ni  Ni200  1  0.721626  0.487149  0.703146  1
  Ni  Ni201  1  0.656089  0.856092  0.687421  1
  Ni  Ni202  1  0.088399  0.220505  0.670475  1
  Ni  Ni203  1  0.156089  0.856092  0.687421  1
  Ni  Ni204  1  0.588399  0.220505  0.670475  1
  Ni  Ni205  1  0.971626  0.487149  0.703146  1
  Ni  Ni206  1  0.471626  0.487149  0.703146  1
  Ni  Ni207  1  0.406089  0.856092  0.687421  1
  Ni  Ni208  1  0.838399  0.220505  0.670475  1
  Ni  Ni209  1  0.906089  0.856092  0.687421  1
  Ni  Ni210  1  0.338399  0.220505  0.670475  1
  Ni  Ni211  1  0.004706  0.303140  0.710025  1
  Ni  Ni212  1  0.504706  0.303140  0.710025  1
  Ni  Ni213  1  0.438930  0.671800  0.695318  1
  Ni  Ni214  1  0.873697  0.041210  0.679926  1
  Ni  Ni215  1  0.938930  0.671800  0.695318  1
  Ni  Ni216  1  0.373697  0.041210  0.679926  1
