# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.06314608
_cell_length_b   11.06074115
_cell_length_c   47.89632892
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   84.26082952
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni252
_cell_volume   5831.53250395
_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  0.960660  0.461194  0.277873  1
  Ni  Ni2  1  0.293994  0.127861  0.277873  1
  Ni  Ni3  1  0.262061  0.429223  0.297274  1
  Ni  Ni4  1  0.627327  0.794527  0.277873  1
  Ni  Ni5  1  0.595394  0.095890  0.297274  1
  Ni  Ni6  1  0.565918  0.399756  0.321081  1
  Ni  Ni7  1  0.928727  0.762557  0.297274  1
  Ni  Ni8  1  0.899251  0.066423  0.321081  1
  Ni  Ni9  1  0.232584  0.733090  0.321081  1
  Ni  Ni10  1  0.127327  0.294527  0.277873  1
  Ni  Ni11  1  0.460660  0.961194  0.277873  1
  Ni  Ni12  1  0.428727  0.262557  0.297274  1
  Ni  Ni13  1  0.793994  0.627861  0.277873  1
  Ni  Ni14  1  0.762061  0.929223  0.297274  1
  Ni  Ni15  1  0.732584  0.233090  0.321081  1
  Ni  Ni16  1  0.095394  0.595890  0.297274  1
  Ni  Ni17  1  0.065918  0.899756  0.321081  1
  Ni  Ni18  1  0.399251  0.566423  0.321081  1
  Ni  Ni19  1  0.928727  0.262557  0.297274  1
  Ni  Ni20  1  0.262061  0.929223  0.297274  1
  Ni  Ni21  1  0.232584  0.233090  0.321081  1
  Ni  Ni22  1  0.595394  0.595890  0.297274  1
  Ni  Ni23  1  0.565918  0.899756  0.321081  1
  Ni  Ni24  1  0.627327  0.294527  0.277873  1
  Ni  Ni25  1  0.899251  0.566423  0.321081  1
  Ni  Ni26  1  0.960660  0.961194  0.277873  1
  Ni  Ni27  1  0.293994  0.627861  0.277873  1
  Ni  Ni28  1  0.065918  0.399756  0.321081  1
  Ni  Ni29  1  0.399251  0.066423  0.321081  1
  Ni  Ni30  1  0.460660  0.461194  0.277873  1
  Ni  Ni31  1  0.732584  0.733090  0.321081  1
  Ni  Ni32  1  0.793994  0.127861  0.277873  1
  Ni  Ni33  1  0.762061  0.429223  0.297274  1
  Ni  Ni34  1  0.127327  0.794527  0.277873  1
  Ni  Ni35  1  0.095394  0.095890  0.297274  1
  Ni  Ni36  1  0.428727  0.762557  0.297274  1
  Ni  Ni37  1  0.868529  0.369015  0.342112  1
  Ni  Ni38  1  0.201862  0.035681  0.342112  1
  Ni  Ni39  1  0.171631  0.338782  0.365061  1
  Ni  Ni40  1  0.535195  0.702348  0.342112  1
  Ni  Ni41  1  0.504964  0.005449  0.365061  1
  Ni  Ni42  1  0.474129  0.307933  0.386947  1
  Ni  Ni43  1  0.838297  0.672115  0.365061  1
  Ni  Ni44  1  0.807462  0.974600  0.386947  1
  Ni  Ni45  1  0.140796  0.641267  0.386947  1
  Ni  Ni46  1  0.035195  0.202348  0.342112  1
  Ni  Ni47  1  0.368529  0.869015  0.342112  1
  Ni  Ni48  1  0.338297  0.172115  0.365061  1
  Ni  Ni49  1  0.701862  0.535681  0.342112  1
  Ni  Ni50  1  0.671631  0.838782  0.365061  1
  Ni  Ni51  1  0.640796  0.141267  0.386947  1
  Ni  Ni52  1  0.004964  0.505449  0.365061  1
  Ni  Ni53  1  0.974129  0.807933  0.386947  1
  Ni  Ni54  1  0.307462  0.474600  0.386947  1
  Ni  Ni55  1  0.838297  0.172115  0.365061  1
  Ni  Ni56  1  0.171631  0.838782  0.365061  1
  Ni  Ni57  1  0.140796  0.141267  0.386947  1
  Ni  Ni58  1  0.504964  0.505449  0.365061  1
  Ni  Ni59  1  0.474129  0.807933  0.386947  1
  Ni  Ni60  1  0.535195  0.202348  0.342112  1
  Ni  Ni61  1  0.807462  0.474600  0.386947  1
  Ni  Ni62  1  0.868529  0.869015  0.342112  1
  Ni  Ni63  1  0.201862  0.535681  0.342112  1
  Ni  Ni64  1  0.974129  0.307933  0.386947  1
  Ni  Ni65  1  0.307462  0.974600  0.386947  1
  Ni  Ni66  1  0.368529  0.369015  0.342112  1
  Ni  Ni67  1  0.640796  0.641267  0.386947  1
  Ni  Ni68  1  0.701862  0.035681  0.342112  1
  Ni  Ni69  1  0.671631  0.338782  0.365061  1
  Ni  Ni70  1  0.035195  0.702348  0.342112  1
  Ni  Ni71  1  0.004964  0.005449  0.365061  1
  Ni  Ni72  1  0.338297  0.672115  0.365061  1
  Ni  Ni73  1  0.776926  0.277391  0.409490  1
  Ni  Ni74  1  0.110260  0.944058  0.409490  1
  Ni  Ni75  1  0.079538  0.246659  0.431636  1
  Ni  Ni76  1  0.443593  0.610725  0.409490  1
  Ni  Ni77  1  0.412872  0.913326  0.431636  1
  Ni  Ni78  1  0.382259  0.216039  0.454014  1
  Ni  Ni79  1  0.746205  0.579992  0.431636  1
  Ni  Ni80  1  0.715592  0.882705  0.454014  1
  Ni  Ni81  1  0.048926  0.549372  0.454014  1
  Ni  Ni82  1  0.943593  0.110725  0.409490  1
  Ni  Ni83  1  0.276926  0.777391  0.409490  1
  Ni  Ni84  1  0.246205  0.079992  0.431636  1
  Ni  Ni85  1  0.610260  0.444058  0.409490  1
  Ni  Ni86  1  0.579538  0.746659  0.431636  1
  Ni  Ni87  1  0.548926  0.049372  0.454014  1
  Ni  Ni88  1  0.912872  0.413326  0.431636  1
  Ni  Ni89  1  0.882259  0.716039  0.454014  1
  Ni  Ni90  1  0.215592  0.382705  0.454014  1
  Ni  Ni91  1  0.746205  0.079992  0.431636  1
  Ni  Ni92  1  0.079538  0.746659  0.431636  1
  Ni  Ni93  1  0.048926  0.049372  0.454014  1
  Ni  Ni94  1  0.412872  0.413326  0.431636  1
  Ni  Ni95  1  0.382259  0.716039  0.454014  1
  Ni  Ni96  1  0.443593  0.110725  0.409490  1
  Ni  Ni97  1  0.715592  0.382705  0.454014  1
  Ni  Ni98  1  0.776926  0.777391  0.409490  1
  Ni  Ni99  1  0.110260  0.444058  0.409490  1
  Ni  Ni100  1  0.882259  0.216039  0.454014  1
  Ni  Ni101  1  0.215592  0.882705  0.454014  1
  Ni  Ni102  1  0.276926  0.277391  0.409490  1
  Ni  Ni103  1  0.548926  0.549372  0.454014  1
  Ni  Ni104  1  0.610260  0.944058  0.409490  1
  Ni  Ni105  1  0.579538  0.246659  0.431636  1
  Ni  Ni106  1  0.943593  0.610725  0.409490  1
  Ni  Ni107  1  0.912872  0.913326  0.431636  1
  Ni  Ni108  1  0.246205  0.579992  0.431636  1
  Ni  Ni109  1  0.684919  0.185356  0.476264  1
  Ni  Ni110  1  0.018253  0.852023  0.476264  1
  Ni  Ni111  1  0.987607  0.154701  0.498571  1
  Ni  Ni112  1  0.351586  0.518689  0.476264  1
  Ni  Ni113  1  0.320940  0.821368  0.498571  1
  Ni  Ni114  1  0.290294  0.124046  0.520877  1
  Ni  Ni115  1  0.654273  0.488034  0.498571  1
  Ni  Ni116  1  0.623627  0.790713  0.520877  1
  Ni  Ni117  1  0.956960  0.457379  0.520877  1
  Ni  Ni118  1  0.851586  0.018689  0.476264  1
  Ni  Ni119  1  0.184919  0.685356  0.476264  1
  Ni  Ni120  1  0.154273  0.988034  0.498571  1
  Ni  Ni121  1  0.518253  0.352023  0.476264  1
  Ni  Ni122  1  0.487607  0.654701  0.498571  1
  Ni  Ni123  1  0.456960  0.957379  0.520877  1
  Ni  Ni124  1  0.820940  0.321368  0.498571  1
  Ni  Ni125  1  0.790294  0.624046  0.520877  1
  Ni  Ni126  1  0.123627  0.290713  0.520877  1
  Ni  Ni127  1  0.654273  0.988034  0.498571  1
  Ni  Ni128  1  0.987607  0.654701  0.498571  1
  Ni  Ni129  1  0.956960  0.957379  0.520877  1
  Ni  Ni130  1  0.320940  0.321368  0.498571  1
  Ni  Ni131  1  0.290294  0.624046  0.520877  1
  Ni  Ni132  1  0.351586  0.018689  0.476264  1
  Ni  Ni133  1  0.623627  0.290713  0.520877  1
  Ni  Ni134  1  0.684919  0.685356  0.476264  1
  Ni  Ni135  1  0.018253  0.352023  0.476264  1
  Ni  Ni136  1  0.790294  0.124046  0.520877  1
  Ni  Ni137  1  0.123627  0.790713  0.520877  1
  Ni  Ni138  1  0.184919  0.185356  0.476264  1
  Ni  Ni139  1  0.456960  0.457379  0.520877  1
  Ni  Ni140  1  0.518253  0.852023  0.476264  1
  Ni  Ni141  1  0.487607  0.154701  0.498571  1
  Ni  Ni142  1  0.851586  0.518689  0.476264  1
  Ni  Ni143  1  0.820940  0.821368  0.498571  1
  Ni  Ni144  1  0.154273  0.488034  0.498571  1
  Ni  Ni145  1  0.592954  0.093363  0.543127  1
  Ni  Ni146  1  0.926287  0.760030  0.543127  1
  Ni  Ni147  1  0.895675  0.062743  0.565505  1
  Ni  Ni148  1  0.259621  0.426697  0.543127  1
  Ni  Ni149  1  0.229008  0.729410  0.565505  1
  Ni  Ni150  1  0.198287  0.032011  0.587652  1
  Ni  Ni151  1  0.562341  0.396076  0.565505  1
  Ni  Ni152  1  0.531620  0.698677  0.587652  1
  Ni  Ni153  1  0.864953  0.365344  0.587652  1
  Ni  Ni154  1  0.759621  0.926697  0.543127  1
  Ni  Ni155  1  0.092954  0.593363  0.543127  1
  Ni  Ni156  1  0.062341  0.896076  0.565505  1
  Ni  Ni157  1  0.426287  0.260030  0.543127  1
  Ni  Ni158  1  0.395675  0.562743  0.565505  1
  Ni  Ni159  1  0.364953  0.865344  0.587652  1
  Ni  Ni160  1  0.729008  0.229410  0.565505  1
  Ni  Ni161  1  0.698287  0.532011  0.587652  1
  Ni  Ni162  1  0.031620  0.198677  0.587652  1
  Ni  Ni163  1  0.562341  0.896076  0.565505  1
  Ni  Ni164  1  0.895675  0.562743  0.565505  1
  Ni  Ni165  1  0.864953  0.865344  0.587652  1
  Ni  Ni166  1  0.229008  0.229410  0.565505  1
  Ni  Ni167  1  0.198287  0.532011  0.587652  1
  Ni  Ni168  1  0.259621  0.926697  0.543127  1
  Ni  Ni169  1  0.531620  0.198677  0.587652  1
  Ni  Ni170  1  0.592954  0.593363  0.543127  1
  Ni  Ni171  1  0.926287  0.260030  0.543127  1
  Ni  Ni172  1  0.698287  0.032011  0.587652  1
  Ni  Ni173  1  0.031620  0.698677  0.587652  1
  Ni  Ni174  1  0.092954  0.093363  0.543127  1
  Ni  Ni175  1  0.364953  0.365344  0.587652  1
  Ni  Ni176  1  0.426287  0.760030  0.543127  1
  Ni  Ni177  1  0.395675  0.062743  0.565505  1
  Ni  Ni178  1  0.759621  0.426697  0.543127  1
  Ni  Ni179  1  0.729008  0.729410  0.565505  1
  Ni  Ni180  1  0.062341  0.396076  0.565505  1
  Ni  Ni181  1  0.501084  1.001469  0.610194  1
  Ni  Ni182  1  0.834417  0.668135  0.610194  1
  Ni  Ni183  1  0.803582  0.970620  0.632080  1
  Ni  Ni184  1  0.167751  0.334802  0.610194  1
  Ni  Ni185  1  0.136916  0.637287  0.632080  1
  Ni  Ni186  1  0.106684  0.940388  0.655029  1
  Ni  Ni187  1  0.470249  0.303953  0.632080  1
  Ni  Ni188  1  0.440018  0.607054  0.655029  1
  Ni  Ni189  1  0.773351  0.273721  0.655029  1
  Ni  Ni190  1  0.667751  0.834802  0.610194  1
  Ni  Ni191  1  1.001084  0.501469  0.610194  1
  Ni  Ni192  1  0.970249  0.803953  0.632080  1
  Ni  Ni193  1  0.334417  0.168135  0.610194  1
  Ni  Ni194  1  0.303582  0.470620  0.632080  1
  Ni  Ni195  1  0.273351  0.773721  0.655029  1
  Ni  Ni196  1  0.636916  0.137287  0.632080  1
  Ni  Ni197  1  0.606684  0.440388  0.655029  1
  Ni  Ni198  1  0.940018  0.107054  0.655029  1
  Ni  Ni199  1  0.470249  0.803953  0.632080  1
  Ni  Ni200  1  0.803582  0.470620  0.632080  1
  Ni  Ni201  1  0.773351  0.773721  0.655029  1
  Ni  Ni202  1  0.136916  0.137287  0.632080  1
  Ni  Ni203  1  0.106684  0.440388  0.655029  1
  Ni  Ni204  1  0.167751  0.834802  0.610194  1
  Ni  Ni205  1  0.440018  0.107054  0.655029  1
  Ni  Ni206  1  0.501084  0.501469  0.610194  1
  Ni  Ni207  1  0.834417  0.168135  0.610194  1
  Ni  Ni208  1  0.606684  0.940388  0.655029  1
  Ni  Ni209  1  0.940018  0.607054  0.655029  1
  Ni  Ni210  1  1.001084  1.001469  0.610194  1
  Ni  Ni211  1  0.273351  0.273721  0.655029  1
  Ni  Ni212  1  0.334417  0.668135  0.610194  1
  Ni  Ni213  1  0.303582  0.970620  0.632080  1
  Ni  Ni214  1  0.667751  0.334802  0.610194  1
  Ni  Ni215  1  0.636916  0.637287  0.632080  1
  Ni  Ni216  1  0.970249  0.303953  0.632080  1
  Ni  Ni217  1  0.409295  0.909646  0.676060  1
  Ni  Ni218  1  0.742629  0.576312  0.676060  1
  Ni  Ni219  1  0.713152  0.880179  0.699867  1
  Ni  Ni220  1  0.075962  0.242979  0.676060  1
  Ni  Ni221  1  0.046486  0.546845  0.699867  1
  Ni  Ni222  1  0.014553  0.848208  0.719268  1
  Ni  Ni223  1  0.379819  0.213512  0.699867  1
  Ni  Ni224  1  0.347886  0.514875  0.719268  1
  Ni  Ni225  1  0.681219  0.181542  0.719268  1
  Ni  Ni226  1  0.575962  0.742979  0.676060  1
  Ni  Ni227  1  0.909295  0.409646  0.676060  1
  Ni  Ni228  1  0.879819  0.713512  0.699867  1
  Ni  Ni229  1  0.242629  0.076312  0.676060  1
  Ni  Ni230  1  0.213152  0.380179  0.699867  1
  Ni  Ni231  1  0.181219  0.681542  0.719268  1
  Ni  Ni232  1  0.546486  0.046845  0.699867  1
  Ni  Ni233  1  0.514553  0.348208  0.719268  1
  Ni  Ni234  1  0.847886  0.014875  0.719268  1
  Ni  Ni235  1  0.379819  0.713512  0.699867  1
  Ni  Ni236  1  0.713152  0.380179  0.699867  1
  Ni  Ni237  1  0.681219  0.681542  0.719268  1
  Ni  Ni238  1  0.046486  0.046845  0.699867  1
  Ni  Ni239  1  0.014553  0.348208  0.719268  1
  Ni  Ni240  1  0.075962  0.742979  0.676060  1
  Ni  Ni241  1  0.347886  0.014875  0.719268  1
  Ni  Ni242  1  0.409295  0.409646  0.676060  1
  Ni  Ni243  1  0.742629  0.076312  0.676060  1
  Ni  Ni244  1  0.514553  0.848208  0.719268  1
  Ni  Ni245  1  0.847886  0.514875  0.719268  1
  Ni  Ni246  1  0.909295  0.909646  0.676060  1
  Ni  Ni247  1  0.181219  0.181542  0.719268  1
  Ni  Ni248  1  0.242629  0.576312  0.676060  1
  Ni  Ni249  1  0.213152  0.880179  0.699867  1
  Ni  Ni250  1  0.575962  0.242979  0.676060  1
  Ni  Ni251  1  0.546486  0.546845  0.699867  1
  Ni  Ni252  1  0.879819  0.213512  0.699867  1
