# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.09381417
_cell_length_b   11.09444464
_cell_length_c   47.86782433
_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   5862.02599914
_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  0.957344  0.290786  0.277075  1
  Ni  Ni2  1  0.290678  0.957452  0.277075  1
  Ni  Ni3  1  0.259699  0.259817  0.298358  1
  Ni  Ni4  1  0.624011  0.624119  0.277075  1
  Ni  Ni5  1  0.593032  0.926484  0.298358  1
  Ni  Ni6  1  0.563545  0.230328  0.321323  1
  Ni  Ni7  1  0.926365  0.593150  0.298358  1
  Ni  Ni8  1  0.896878  0.896995  0.321323  1
  Ni  Ni9  1  0.230211  0.563661  0.321323  1
  Ni  Ni10  1  0.093032  0.426484  0.298358  1
  Ni  Ni11  1  0.426365  0.093150  0.298358  1
  Ni  Ni12  1  0.396878  0.396995  0.321323  1
  Ni  Ni13  1  0.759699  0.759817  0.298358  1
  Ni  Ni14  1  0.730211  0.063661  0.321323  1
  Ni  Ni15  1  0.790678  0.457452  0.277075  1
  Ni  Ni16  1  0.063545  0.730328  0.321323  1
  Ni  Ni17  1  0.124011  0.124119  0.277075  1
  Ni  Ni18  1  0.457344  0.790786  0.277075  1
  Ni  Ni19  1  0.896878  0.396995  0.321323  1
  Ni  Ni20  1  0.230211  0.063661  0.321323  1
  Ni  Ni21  1  0.290678  0.457452  0.277075  1
  Ni  Ni22  1  0.563545  0.730328  0.321323  1
  Ni  Ni23  1  0.624011  0.124119  0.277075  1
  Ni  Ni24  1  0.593032  0.426484  0.298358  1
  Ni  Ni25  1  0.957344  0.790786  0.277075  1
  Ni  Ni26  1  0.926365  0.093150  0.298358  1
  Ni  Ni27  1  0.259699  0.759817  0.298358  1
  Ni  Ni28  1  0.063545  0.230328  0.321323  1
  Ni  Ni29  1  0.396878  0.896995  0.321323  1
  Ni  Ni30  1  0.457344  0.290786  0.277075  1
  Ni  Ni31  1  0.730211  0.563661  0.321323  1
  Ni  Ni32  1  0.790678  0.957452  0.277075  1
  Ni  Ni33  1  0.759699  0.259817  0.298358  1
  Ni  Ni34  1  0.124011  0.624119  0.277075  1
  Ni  Ni35  1  0.093032  0.926484  0.298358  1
  Ni  Ni36  1  0.426365  0.593150  0.298358  1
  Ni  Ni37  1  0.866498  0.199952  0.342986  1
  Ni  Ni38  1  0.199831  0.866619  0.342986  1
  Ni  Ni39  1  0.169538  0.169660  0.365495  1
  Ni  Ni40  1  0.533165  0.533286  0.342986  1
  Ni  Ni41  1  0.502871  0.836327  0.365495  1
  Ni  Ni42  1  0.472279  0.139071  0.387571  1
  Ni  Ni43  1  0.836204  0.502993  0.365495  1
  Ni  Ni44  1  0.805612  0.805737  0.387571  1
  Ni  Ni45  1  0.138945  0.472404  0.387571  1
  Ni  Ni46  1  0.002871  0.336327  0.365495  1
  Ni  Ni47  1  0.336204  0.002993  0.365495  1
  Ni  Ni48  1  0.305612  0.305737  0.387571  1
  Ni  Ni49  1  0.669538  0.669660  0.365495  1
  Ni  Ni50  1  0.638945  0.972404  0.387571  1
  Ni  Ni51  1  0.699831  0.366619  0.342986  1
  Ni  Ni52  1  0.972279  0.639071  0.387571  1
  Ni  Ni53  1  0.033165  0.033286  0.342986  1
  Ni  Ni54  1  0.366498  0.699952  0.342986  1
  Ni  Ni55  1  0.805612  0.305737  0.387571  1
  Ni  Ni56  1  0.138945  0.972404  0.387571  1
  Ni  Ni57  1  0.199831  0.366619  0.342986  1
  Ni  Ni58  1  0.472279  0.639071  0.387571  1
  Ni  Ni59  1  0.533165  0.033286  0.342986  1
  Ni  Ni60  1  0.502871  0.336327  0.365495  1
  Ni  Ni61  1  0.866498  0.699952  0.342986  1
  Ni  Ni62  1  0.836204  0.002993  0.365495  1
  Ni  Ni63  1  0.169538  0.669660  0.365495  1
  Ni  Ni64  1  0.972279  0.139071  0.387571  1
  Ni  Ni65  1  0.305612  0.805737  0.387571  1
  Ni  Ni66  1  0.366498  0.199952  0.342986  1
  Ni  Ni67  1  0.638945  0.472404  0.387571  1
  Ni  Ni68  1  0.699831  0.866619  0.342986  1
  Ni  Ni69  1  0.669538  0.169660  0.365495  1
  Ni  Ni70  1  0.033165  0.533286  0.342986  1
  Ni  Ni71  1  0.002871  0.836327  0.365495  1
  Ni  Ni72  1  0.336204  0.502993  0.365495  1
  Ni  Ni73  1  0.775138  0.108599  0.409918  1
  Ni  Ni74  1  0.108471  0.775265  0.409918  1
  Ni  Ni75  1  0.077922  0.078052  0.432106  1
  Ni  Ni76  1  0.441805  0.441932  0.409918  1
  Ni  Ni77  1  0.411255  0.744718  0.432106  1
  Ni  Ni78  1  0.380750  0.047549  0.454386  1
  Ni  Ni79  1  0.744588  0.411385  0.432106  1
  Ni  Ni80  1  0.714083  0.714215  0.454386  1
  Ni  Ni81  1  0.047416  0.380882  0.454386  1
  Ni  Ni82  1  0.911255  0.244718  0.432106  1
  Ni  Ni83  1  0.244588  0.911385  0.432106  1
  Ni  Ni84  1  0.214083  0.214215  0.454386  1
  Ni  Ni85  1  0.577922  0.578052  0.432106  1
  Ni  Ni86  1  0.547416  0.880882  0.454386  1
  Ni  Ni87  1  0.608471  0.275265  0.409918  1
  Ni  Ni88  1  0.880750  0.547549  0.454386  1
  Ni  Ni89  1  0.941805  0.941932  0.409918  1
  Ni  Ni90  1  0.275138  0.608599  0.409918  1
  Ni  Ni91  1  0.714083  0.214215  0.454386  1
  Ni  Ni92  1  0.047416  0.880882  0.454386  1
  Ni  Ni93  1  0.108471  0.275265  0.409918  1
  Ni  Ni94  1  0.380750  0.547549  0.454386  1
  Ni  Ni95  1  0.441805  0.941932  0.409918  1
  Ni  Ni96  1  0.411255  0.244718  0.432106  1
  Ni  Ni97  1  0.775138  0.608599  0.409918  1
  Ni  Ni98  1  0.744588  0.911385  0.432106  1
  Ni  Ni99  1  0.077922  0.578052  0.432106  1
  Ni  Ni100  1  0.880750  0.047549  0.454386  1
  Ni  Ni101  1  0.214083  0.714215  0.454386  1
  Ni  Ni102  1  0.275138  0.108599  0.409918  1
  Ni  Ni103  1  0.547416  0.380882  0.454386  1
  Ni  Ni104  1  0.608471  0.775265  0.409918  1
  Ni  Ni105  1  0.577922  0.078052  0.432106  1
  Ni  Ni106  1  0.941805  0.441932  0.409918  1
  Ni  Ni107  1  0.911255  0.744718  0.432106  1
  Ni  Ni108  1  0.244588  0.411385  0.432106  1
  Ni  Ni109  1  0.683554  0.017022  0.476616  1
  Ni  Ni110  1  0.016887  0.683689  0.476616  1
  Ni  Ni111  1  0.986369  0.986506  0.498867  1
  Ni  Ni112  1  0.350220  0.350355  0.476616  1
  Ni  Ni113  1  0.319702  0.653172  0.498867  1
  Ni  Ni114  1  0.289183  0.955990  0.521119  1
  Ni  Ni115  1  0.653035  0.319839  0.498867  1
  Ni  Ni116  1  0.622517  0.622656  0.521119  1
  Ni  Ni117  1  0.955850  0.289323  0.521119  1
  Ni  Ni118  1  0.819702  0.153172  0.498867  1
  Ni  Ni119  1  0.153035  0.819839  0.498867  1
  Ni  Ni120  1  0.122517  0.122656  0.521119  1
  Ni  Ni121  1  0.486369  0.486506  0.498867  1
  Ni  Ni122  1  0.455850  0.789323  0.521119  1
  Ni  Ni123  1  0.516887  0.183689  0.476616  1
  Ni  Ni124  1  0.789183  0.455990  0.521119  1
  Ni  Ni125  1  0.850220  0.850355  0.476616  1
  Ni  Ni126  1  0.183554  0.517022  0.476616  1
  Ni  Ni127  1  0.622517  0.122656  0.521119  1
  Ni  Ni128  1  0.955850  0.789323  0.521119  1
  Ni  Ni129  1  0.016887  0.183689  0.476616  1
  Ni  Ni130  1  0.289183  0.455990  0.521119  1
  Ni  Ni131  1  0.350220  0.850355  0.476616  1
  Ni  Ni132  1  0.319702  0.153172  0.498867  1
  Ni  Ni133  1  0.683554  0.517022  0.476616  1
  Ni  Ni134  1  0.653035  0.819839  0.498867  1
  Ni  Ni135  1  0.986369  0.486506  0.498867  1
  Ni  Ni136  1  0.789183  0.955990  0.521119  1
  Ni  Ni137  1  0.122517  0.622656  0.521119  1
  Ni  Ni138  1  0.183554  0.017022  0.476616  1
  Ni  Ni139  1  0.455850  0.289323  0.521119  1
  Ni  Ni140  1  0.516887  0.683689  0.476616  1
  Ni  Ni141  1  0.486369  0.986506  0.498867  1
  Ni  Ni142  1  0.850220  0.350355  0.476616  1
  Ni  Ni143  1  0.819702  0.653172  0.498867  1
  Ni  Ni144  1  0.153035  0.319839  0.498867  1
  Ni  Ni145  1  0.591987  0.925463  0.543349  1
  Ni  Ni146  1  0.925321  0.592129  0.543349  1
  Ni  Ni147  1  0.894815  0.894960  0.565629  1
  Ni  Ni148  1  0.258654  0.258796  0.543349  1
  Ni  Ni149  1  0.228149  0.561626  0.565629  1
  Ni  Ni150  1  0.197599  0.864413  0.587817  1
  Ni  Ni151  1  0.561482  0.228293  0.565629  1
  Ni  Ni152  1  0.530932  0.531079  0.587817  1
  Ni  Ni153  1  0.864266  0.197746  0.587817  1
  Ni  Ni154  1  0.728149  0.061626  0.565629  1
  Ni  Ni155  1  0.061482  0.728293  0.565629  1
  Ni  Ni156  1  0.030932  0.031079  0.587817  1
  Ni  Ni157  1  0.394815  0.394960  0.565629  1
  Ni  Ni158  1  0.364266  0.697746  0.587817  1
  Ni  Ni159  1  0.425321  0.092129  0.543349  1
  Ni  Ni160  1  0.697599  0.364413  0.587817  1
  Ni  Ni161  1  0.758654  0.758796  0.543349  1
  Ni  Ni162  1  0.091987  0.425463  0.543349  1
  Ni  Ni163  1  0.530932  0.031079  0.587817  1
  Ni  Ni164  1  0.864266  0.697746  0.587817  1
  Ni  Ni165  1  0.925321  0.092129  0.543349  1
  Ni  Ni166  1  0.197599  0.364413  0.587817  1
  Ni  Ni167  1  0.258654  0.758796  0.543349  1
  Ni  Ni168  1  0.228149  0.061626  0.565629  1
  Ni  Ni169  1  0.591987  0.425463  0.543349  1
  Ni  Ni170  1  0.561482  0.728293  0.565629  1
  Ni  Ni171  1  0.894815  0.394960  0.565629  1
  Ni  Ni172  1  0.697599  0.864413  0.587817  1
  Ni  Ni173  1  0.030932  0.531079  0.587817  1
  Ni  Ni174  1  0.091987  0.925463  0.543349  1
  Ni  Ni175  1  0.364266  0.197746  0.587817  1
  Ni  Ni176  1  0.425321  0.592129  0.543349  1
  Ni  Ni177  1  0.394815  0.894960  0.565629  1
  Ni  Ni178  1  0.758654  0.258796  0.543349  1
  Ni  Ni179  1  0.728149  0.561626  0.565629  1
  Ni  Ni180  1  0.061482  0.228293  0.565629  1
  Ni  Ni181  1  0.500458  0.833941  0.610164  1
  Ni  Ni182  1  0.833792  0.500607  0.610164  1
  Ni  Ni183  1  0.803199  0.803352  0.632240  1
  Ni  Ni184  1  0.167125  0.167274  0.610164  1
  Ni  Ni185  1  0.136533  0.470018  0.632240  1
  Ni  Ni186  1  0.106239  0.773059  0.654749  1
  Ni  Ni187  1  0.469866  0.136685  0.632240  1
  Ni  Ni188  1  0.439573  0.439726  0.654749  1
  Ni  Ni189  1  0.772906  0.106393  0.654749  1
  Ni  Ni190  1  0.636533  0.970018  0.632240  1
  Ni  Ni191  1  0.969866  0.636685  0.632240  1
  Ni  Ni192  1  0.939573  0.939726  0.654749  1
  Ni  Ni193  1  0.303199  0.303352  0.632240  1
  Ni  Ni194  1  0.272906  0.606393  0.654749  1
  Ni  Ni195  1  0.333792  1.000607  0.610164  1
  Ni  Ni196  1  0.606239  0.273059  0.654749  1
  Ni  Ni197  1  0.667125  0.667274  0.610164  1
  Ni  Ni198  1  1.000458  0.333941  0.610164  1
  Ni  Ni199  1  0.439573  0.939726  0.654749  1
  Ni  Ni200  1  0.772906  0.606393  0.654749  1
  Ni  Ni201  1  0.833792  1.000607  0.610164  1
  Ni  Ni202  1  0.106239  0.273059  0.654749  1
  Ni  Ni203  1  0.167125  0.667274  0.610164  1
  Ni  Ni204  1  0.136533  0.970018  0.632240  1
  Ni  Ni205  1  0.500458  0.333941  0.610164  1
  Ni  Ni206  1  0.469866  0.636685  0.632240  1
  Ni  Ni207  1  0.803199  0.303352  0.632240  1
  Ni  Ni208  1  0.606239  0.773059  0.654749  1
  Ni  Ni209  1  0.939573  0.439726  0.654749  1
  Ni  Ni210  1  1.000458  0.833941  0.610164  1
  Ni  Ni211  1  0.272906  0.106393  0.654749  1
  Ni  Ni212  1  0.333792  0.500607  0.610164  1
  Ni  Ni213  1  0.303199  0.803352  0.632240  1
  Ni  Ni214  1  0.667125  0.167274  0.610164  1
  Ni  Ni215  1  0.636533  0.470018  0.632240  1
  Ni  Ni216  1  0.969866  0.136685  0.632240  1
  Ni  Ni217  1  0.409192  0.742683  0.676412  1
  Ni  Ni218  1  0.742526  0.409350  0.676412  1
  Ni  Ni219  1  0.713039  0.713195  0.699377  1
  Ni  Ni220  1  0.075859  0.076017  0.676412  1
  Ni  Ni221  1  0.046372  0.379861  0.699377  1
  Ni  Ni222  1  0.015393  0.682226  0.720660  1
  Ni  Ni223  1  0.379705  0.046528  0.699377  1
  Ni  Ni224  1  0.348726  0.348892  0.720660  1
  Ni  Ni225  1  0.682059  0.015559  0.720660  1
  Ni  Ni226  1  0.546372  0.879861  0.699377  1
  Ni  Ni227  1  0.879705  0.546528  0.699377  1
  Ni  Ni228  1  0.848726  0.848892  0.720660  1
  Ni  Ni229  1  0.213039  0.213195  0.699377  1
  Ni  Ni230  1  0.182059  0.515559  0.720660  1
  Ni  Ni231  1  0.242526  0.909350  0.676412  1
  Ni  Ni232  1  0.515393  0.182226  0.720660  1
  Ni  Ni233  1  0.575859  0.576017  0.676412  1
  Ni  Ni234  1  0.909192  0.242683  0.676412  1
  Ni  Ni235  1  0.348726  0.848892  0.720660  1
  Ni  Ni236  1  0.682059  0.515559  0.720660  1
  Ni  Ni237  1  0.742526  0.909350  0.676412  1
  Ni  Ni238  1  0.015393  0.182226  0.720660  1
  Ni  Ni239  1  0.075859  0.576017  0.676412  1
  Ni  Ni240  1  0.046372  0.879861  0.699377  1
  Ni  Ni241  1  0.409192  0.242683  0.676412  1
  Ni  Ni242  1  0.379705  0.546528  0.699377  1
  Ni  Ni243  1  0.713039  0.213195  0.699377  1
  Ni  Ni244  1  0.515393  0.682226  0.720660  1
  Ni  Ni245  1  0.848726  0.348892  0.720660  1
  Ni  Ni246  1  0.909192  0.742683  0.676412  1
  Ni  Ni247  1  0.182059  0.015559  0.720660  1
  Ni  Ni248  1  0.242526  0.409350  0.676412  1
  Ni  Ni249  1  0.213039  0.713195  0.699377  1
  Ni  Ni250  1  0.575859  0.076017  0.676412  1
  Ni  Ni251  1  0.546372  0.379861  0.699377  1
  Ni  Ni252  1  0.879705  0.046528  0.699377  1
