# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.12010163
_cell_length_b   11.11519562
_cell_length_c   47.88988910
_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   5889.62027917
_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  0.959968  0.460497  0.277348  1
  Ni  Ni2  1  0.293301  0.127164  0.277348  1
  Ni  Ni3  1  0.260243  0.427390  0.298740  1
  Ni  Ni4  1  0.626634  0.793831  0.277348  1
  Ni  Ni5  1  0.593577  0.094057  0.298740  1
  Ni  Ni6  1  0.562329  0.396147  0.321660  1
  Ni  Ni7  1  0.926910  0.760723  0.298740  1
  Ni  Ni8  1  0.895662  0.062814  0.321660  1
  Ni  Ni9  1  0.228996  0.729481  0.321660  1
  Ni  Ni10  1  0.126634  0.293831  0.277348  1
  Ni  Ni11  1  0.459968  0.960497  0.277348  1
  Ni  Ni12  1  0.426910  0.260723  0.298740  1
  Ni  Ni13  1  0.793301  0.627164  0.277348  1
  Ni  Ni14  1  0.760243  0.927390  0.298740  1
  Ni  Ni15  1  0.728996  0.229481  0.321660  1
  Ni  Ni16  1  0.093577  0.594057  0.298740  1
  Ni  Ni17  1  0.062329  0.896147  0.321660  1
  Ni  Ni18  1  0.395662  0.562814  0.321660  1
  Ni  Ni19  1  0.926910  0.260723  0.298740  1
  Ni  Ni20  1  0.260243  0.927390  0.298740  1
  Ni  Ni21  1  0.228996  0.229481  0.321660  1
  Ni  Ni22  1  0.593577  0.594057  0.298740  1
  Ni  Ni23  1  0.562329  0.896147  0.321660  1
  Ni  Ni24  1  0.626634  0.293831  0.277348  1
  Ni  Ni25  1  0.895662  0.562814  0.321660  1
  Ni  Ni26  1  0.959968  0.960497  0.277348  1
  Ni  Ni27  1  0.293301  0.627164  0.277348  1
  Ni  Ni28  1  0.062329  0.396147  0.321660  1
  Ni  Ni29  1  0.395662  0.062814  0.321660  1
  Ni  Ni30  1  0.459968  0.460497  0.277348  1
  Ni  Ni31  1  0.728996  0.729481  0.321660  1
  Ni  Ni32  1  0.793301  0.127164  0.277348  1
  Ni  Ni33  1  0.760243  0.427390  0.298740  1
  Ni  Ni34  1  0.126634  0.793831  0.277348  1
  Ni  Ni35  1  0.093577  0.094057  0.298740  1
  Ni  Ni36  1  0.426910  0.760723  0.298740  1
  Ni  Ni37  1  0.865321  0.365783  0.343394  1
  Ni  Ni38  1  0.198654  0.032449  0.343394  1
  Ni  Ni39  1  0.168422  0.335538  0.365893  1
  Ni  Ni40  1  0.531988  0.699116  0.343394  1
  Ni  Ni41  1  0.501755  0.002205  0.365893  1
  Ni  Ni42  1  0.471261  0.305026  0.387984  1
  Ni  Ni43  1  0.835088  0.668871  0.365893  1
  Ni  Ni44  1  0.804594  0.971693  0.387984  1
  Ni  Ni45  1  0.137928  0.638359  0.387984  1
  Ni  Ni46  1  0.031988  0.199116  0.343394  1
  Ni  Ni47  1  0.365321  0.865783  0.343394  1
  Ni  Ni48  1  0.335088  0.168871  0.365893  1
  Ni  Ni49  1  0.698654  0.532449  0.343394  1
  Ni  Ni50  1  0.668422  0.835538  0.365893  1
  Ni  Ni51  1  0.637928  0.138359  0.387984  1
  Ni  Ni52  1  0.001755  0.502205  0.365893  1
  Ni  Ni53  1  0.971261  0.805026  0.387984  1
  Ni  Ni54  1  0.304594  0.471693  0.387984  1
  Ni  Ni55  1  0.835088  0.168871  0.365893  1
  Ni  Ni56  1  0.168422  0.835538  0.365893  1
  Ni  Ni57  1  0.137928  0.138359  0.387984  1
  Ni  Ni58  1  0.501755  0.502205  0.365893  1
  Ni  Ni59  1  0.471261  0.805026  0.387984  1
  Ni  Ni60  1  0.531988  0.199116  0.343394  1
  Ni  Ni61  1  0.804594  0.471693  0.387984  1
  Ni  Ni62  1  0.865321  0.865783  0.343394  1
  Ni  Ni63  1  0.198654  0.532449  0.343394  1
  Ni  Ni64  1  0.971261  0.305026  0.387984  1
  Ni  Ni65  1  0.304594  0.971693  0.387984  1
  Ni  Ni66  1  0.365321  0.365783  0.343394  1
  Ni  Ni67  1  0.637928  0.638359  0.387984  1
  Ni  Ni68  1  0.698654  0.032449  0.343394  1
  Ni  Ni69  1  0.668422  0.335538  0.365893  1
  Ni  Ni70  1  0.031988  0.699116  0.343394  1
  Ni  Ni71  1  0.001755  0.002205  0.365893  1
  Ni  Ni72  1  0.335088  0.668871  0.365893  1
  Ni  Ni73  1  0.774206  0.274623  0.410308  1
  Ni  Ni74  1  0.107539  0.941290  0.410308  1
  Ni  Ni75  1  0.077091  0.244158  0.432501  1
  Ni  Ni76  1  0.440873  0.607956  0.410308  1
  Ni  Ni77  1  0.410424  0.910824  0.432501  1
  Ni  Ni78  1  0.380008  0.213727  0.454766  1
  Ni  Ni79  1  0.743757  0.577491  0.432501  1
  Ni  Ni80  1  0.713342  0.880393  0.454766  1
  Ni  Ni81  1  0.046675  0.547060  0.454766  1
  Ni  Ni82  1  0.940873  0.107956  0.410308  1
  Ni  Ni83  1  0.274206  0.774623  0.410308  1
  Ni  Ni84  1  0.243757  0.077491  0.432501  1
  Ni  Ni85  1  0.607539  0.441290  0.410308  1
  Ni  Ni86  1  0.577091  0.744158  0.432501  1
  Ni  Ni87  1  0.546675  0.047060  0.454766  1
  Ni  Ni88  1  0.910424  0.410824  0.432501  1
  Ni  Ni89  1  0.880008  0.713727  0.454766  1
  Ni  Ni90  1  0.213342  0.380393  0.454766  1
  Ni  Ni91  1  0.743757  0.077491  0.432501  1
  Ni  Ni92  1  0.077091  0.744158  0.432501  1
  Ni  Ni93  1  0.046675  0.047060  0.454766  1
  Ni  Ni94  1  0.410424  0.410824  0.432501  1
  Ni  Ni95  1  0.380008  0.713727  0.454766  1
  Ni  Ni96  1  0.440873  0.107956  0.410308  1
  Ni  Ni97  1  0.713342  0.380393  0.454766  1
  Ni  Ni98  1  0.774206  0.774623  0.410308  1
  Ni  Ni99  1  0.107539  0.441290  0.410308  1
  Ni  Ni100  1  0.880008  0.213727  0.454766  1
  Ni  Ni101  1  0.213342  0.880393  0.454766  1
  Ni  Ni102  1  0.274206  0.274623  0.410308  1
  Ni  Ni103  1  0.546675  0.547060  0.454766  1
  Ni  Ni104  1  0.607539  0.941290  0.410308  1
  Ni  Ni105  1  0.577091  0.244158  0.432501  1
  Ni  Ni106  1  0.940873  0.607956  0.410308  1
  Ni  Ni107  1  0.910424  0.910824  0.432501  1
  Ni  Ni108  1  0.243757  0.577491  0.432501  1
  Ni  Ni109  1  0.682909  0.183278  0.476992  1
  Ni  Ni110  1  0.016242  0.849944  0.476992  1
  Ni  Ni111  1  0.985816  0.152836  0.499235  1
  Ni  Ni112  1  0.349575  0.516611  0.476992  1
  Ni  Ni113  1  0.319150  0.819503  0.499235  1
  Ni  Ni114  1  0.288724  0.122395  0.521479  1
  Ni  Ni115  1  0.652483  0.486170  0.499235  1
  Ni  Ni116  1  0.622057  0.789061  0.521479  1
  Ni  Ni117  1  0.955391  0.455728  0.521479  1
  Ni  Ni118  1  0.849575  0.016611  0.476992  1
  Ni  Ni119  1  0.182909  0.683278  0.476992  1
  Ni  Ni120  1  0.152483  0.986170  0.499235  1
  Ni  Ni121  1  0.516242  0.349944  0.476992  1
  Ni  Ni122  1  0.485816  0.652836  0.499235  1
  Ni  Ni123  1  0.455391  0.955728  0.521479  1
  Ni  Ni124  1  0.819150  0.319503  0.499235  1
  Ni  Ni125  1  0.788724  0.622395  0.521479  1
  Ni  Ni126  1  0.122057  0.289061  0.521479  1
  Ni  Ni127  1  0.652483  0.986170  0.499235  1
  Ni  Ni128  1  0.985816  0.652836  0.499235  1
  Ni  Ni129  1  0.955391  0.955728  0.521479  1
  Ni  Ni130  1  0.319150  0.319503  0.499235  1
  Ni  Ni131  1  0.288724  0.622395  0.521479  1
  Ni  Ni132  1  0.349575  0.016611  0.476992  1
  Ni  Ni133  1  0.622057  0.289061  0.521479  1
  Ni  Ni134  1  0.682909  0.683278  0.476992  1
  Ni  Ni135  1  0.016242  0.349944  0.476992  1
  Ni  Ni136  1  0.788724  0.122395  0.521479  1
  Ni  Ni137  1  0.122057  0.789061  0.521479  1
  Ni  Ni138  1  0.182909  0.183278  0.476992  1
  Ni  Ni139  1  0.455391  0.455728  0.521479  1
  Ni  Ni140  1  0.516242  0.849944  0.476992  1
  Ni  Ni141  1  0.485816  0.152836  0.499235  1
  Ni  Ni142  1  0.849575  0.516611  0.476992  1
  Ni  Ni143  1  0.819150  0.819503  0.499235  1
  Ni  Ni144  1  0.152483  0.486170  0.499235  1
  Ni  Ni145  1  0.591624  0.091946  0.543705  1
  Ni  Ni146  1  0.924958  0.758612  0.543705  1
  Ni  Ni147  1  0.894542  0.061515  0.565970  1
  Ni  Ni148  1  0.258291  0.425279  0.543705  1
  Ni  Ni149  1  0.227875  0.728181  0.565970  1
  Ni  Ni150  1  0.197427  0.031050  0.588162  1
  Ni  Ni151  1  0.561209  0.394848  0.565970  1
  Ni  Ni152  1  0.530760  0.697716  0.588162  1
  Ni  Ni153  1  0.864093  0.364383  0.588162  1
  Ni  Ni154  1  0.758291  0.925279  0.543705  1
  Ni  Ni155  1  0.091624  0.591946  0.543705  1
  Ni  Ni156  1  0.061209  0.894848  0.565970  1
  Ni  Ni157  1  0.424958  0.258612  0.543705  1
  Ni  Ni158  1  0.394542  0.561515  0.565970  1
  Ni  Ni159  1  0.364093  0.864383  0.588162  1
  Ni  Ni160  1  0.727875  0.228181  0.565970  1
  Ni  Ni161  1  0.697427  0.531050  0.588162  1
  Ni  Ni162  1  0.030760  0.197716  0.588162  1
  Ni  Ni163  1  0.561209  0.894848  0.565970  1
  Ni  Ni164  1  0.894542  0.561515  0.565970  1
  Ni  Ni165  1  0.864093  0.864383  0.588162  1
  Ni  Ni166  1  0.227875  0.228181  0.565970  1
  Ni  Ni167  1  0.197427  0.531050  0.588162  1
  Ni  Ni168  1  0.258291  0.925279  0.543705  1
  Ni  Ni169  1  0.530760  0.197716  0.588162  1
  Ni  Ni170  1  0.591624  0.591946  0.543705  1
  Ni  Ni171  1  0.924958  0.258612  0.543705  1
  Ni  Ni172  1  0.697427  0.031050  0.588162  1
  Ni  Ni173  1  0.030760  0.697716  0.588162  1
  Ni  Ni174  1  0.091624  0.091946  0.543705  1
  Ni  Ni175  1  0.364093  0.364383  0.588162  1
  Ni  Ni176  1  0.424958  0.758612  0.543705  1
  Ni  Ni177  1  0.394542  0.061515  0.565970  1
  Ni  Ni178  1  0.758291  0.425279  0.543705  1
  Ni  Ni179  1  0.727875  0.728181  0.565970  1
  Ni  Ni180  1  0.061209  0.394848  0.565970  1
  Ni  Ni181  1  0.500372  1.000646  0.610486  1
  Ni  Ni182  1  0.833705  0.667313  0.610486  1
  Ni  Ni183  1  0.803211  0.970134  0.632578  1
  Ni  Ni184  1  0.167038  0.333980  0.610486  1
  Ni  Ni185  1  0.136544  0.636801  0.632578  1
  Ni  Ni186  1  0.106312  0.939890  0.655077  1
  Ni  Ni187  1  0.469878  0.303468  0.632578  1
  Ni  Ni188  1  0.439645  0.606557  0.655077  1
  Ni  Ni189  1  0.772978  0.273223  0.655077  1
  Ni  Ni190  1  0.667038  0.833980  0.610486  1
  Ni  Ni191  1  1.000372  0.500646  0.610486  1
  Ni  Ni192  1  0.969878  0.803468  0.632578  1
  Ni  Ni193  1  0.333705  0.167313  0.610486  1
  Ni  Ni194  1  0.303211  0.470134  0.632578  1
  Ni  Ni195  1  0.272978  0.773223  0.655077  1
  Ni  Ni196  1  0.636544  0.136801  0.632578  1
  Ni  Ni197  1  0.606312  0.439890  0.655077  1
  Ni  Ni198  1  0.939645  0.106557  0.655077  1
  Ni  Ni199  1  0.469878  0.803468  0.632578  1
  Ni  Ni200  1  0.803211  0.470134  0.632578  1
  Ni  Ni201  1  0.772978  0.773223  0.655077  1
  Ni  Ni202  1  0.136544  0.136801  0.632578  1
  Ni  Ni203  1  0.106312  0.439890  0.655077  1
  Ni  Ni204  1  0.167038  0.833980  0.610486  1
  Ni  Ni205  1  0.439645  0.106557  0.655077  1
  Ni  Ni206  1  0.500372  0.500646  0.610486  1
  Ni  Ni207  1  0.833705  0.167313  0.610486  1
  Ni  Ni208  1  0.606312  0.939890  0.655077  1
  Ni  Ni209  1  0.939645  0.606557  0.655077  1
  Ni  Ni210  1  1.000372  1.000646  0.610486  1
  Ni  Ni211  1  0.272978  0.273223  0.655077  1
  Ni  Ni212  1  0.333705  0.667313  0.610486  1
  Ni  Ni213  1  0.303211  0.970134  0.632578  1
  Ni  Ni214  1  0.667038  0.333980  0.610486  1
  Ni  Ni215  1  0.636544  0.636801  0.632578  1
  Ni  Ni216  1  0.969878  0.303468  0.632578  1
  Ni  Ni217  1  0.409304  0.909525  0.676811  1
  Ni  Ni218  1  0.742637  0.576192  0.676811  1
  Ni  Ni219  1  0.711389  0.878283  0.699730  1
  Ni  Ni220  1  0.075970  0.242858  0.676811  1
  Ni  Ni221  1  0.044723  0.544949  0.699730  1
  Ni  Ni222  1  0.011665  0.845175  0.721123  1
  Ni  Ni223  1  0.378056  0.211616  0.699730  1
  Ni  Ni224  1  0.344998  0.511842  0.721123  1
  Ni  Ni225  1  0.678332  0.178508  0.721123  1
  Ni  Ni226  1  0.575970  0.742858  0.676811  1
  Ni  Ni227  1  0.909304  0.409525  0.676811  1
  Ni  Ni228  1  0.878056  0.711616  0.699730  1
  Ni  Ni229  1  0.242637  0.076192  0.676811  1
  Ni  Ni230  1  0.211389  0.378283  0.699730  1
  Ni  Ni231  1  0.178332  0.678508  0.721123  1
  Ni  Ni232  1  0.544723  0.044949  0.699730  1
  Ni  Ni233  1  0.511665  0.345175  0.721123  1
  Ni  Ni234  1  0.844998  0.011842  0.721123  1
  Ni  Ni235  1  0.378056  0.711616  0.699730  1
  Ni  Ni236  1  0.711389  0.378283  0.699730  1
  Ni  Ni237  1  0.678332  0.678508  0.721123  1
  Ni  Ni238  1  0.044723  0.044949  0.699730  1
  Ni  Ni239  1  0.011665  0.345175  0.721123  1
  Ni  Ni240  1  0.075970  0.742858  0.676811  1
  Ni  Ni241  1  0.344998  0.011842  0.721123  1
  Ni  Ni242  1  0.409304  0.409525  0.676811  1
  Ni  Ni243  1  0.742637  0.076192  0.676811  1
  Ni  Ni244  1  0.511665  0.845175  0.721123  1
  Ni  Ni245  1  0.844998  0.511842  0.721123  1
  Ni  Ni246  1  0.909304  0.909525  0.676811  1
  Ni  Ni247  1  0.178332  0.178508  0.721123  1
  Ni  Ni248  1  0.242637  0.576192  0.676811  1
  Ni  Ni249  1  0.211389  0.878283  0.699730  1
  Ni  Ni250  1  0.575970  0.242858  0.676811  1
  Ni  Ni251  1  0.544723  0.544949  0.699730  1
  Ni  Ni252  1  0.878056  0.211616  0.699730  1
