# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.90338715
_cell_length_b   11.04218898
_cell_length_c   46.49221680
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   125.73858885
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni216
_cell_volume   5376.86989299
_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  0.284908  0.178390  0.295388  1
  Ni  Ni2  1  0.951575  0.178390  0.295388  1
  Ni  Ni3  1  0.881886  0.709063  0.283694  1
  Ni  Ni4  1  0.618242  0.178390  0.295388  1
  Ni  Ni5  1  0.548552  0.709063  0.283694  1
  Ni  Ni6  1  0.215219  0.709063  0.283694  1
  Ni  Ni7  1  0.101339  0.912023  0.300628  1
  Ni  Ni8  1  0.768005  0.912023  0.300628  1
  Ni  Ni9  1  0.696603  0.442983  0.289380  1
  Ni  Ni10  1  0.434672  0.912023  0.300628  1
  Ni  Ni11  1  0.363270  0.442983  0.289380  1
  Ni  Ni12  1  0.029936  0.442983  0.289380  1
  Ni  Ni13  1  0.089106  0.120599  0.318760  1
  Ni  Ni14  1  0.755772  0.120599  0.318760  1
  Ni  Ni15  1  0.683221  0.646653  0.307062  1
  Ni  Ni16  1  0.422439  0.120599  0.318760  1
  Ni  Ni17  1  0.349888  0.646653  0.307062  1
  Ni  Ni18  1  0.016555  0.646653  0.307062  1
  Ni  Ni19  1  0.905075  0.858671  0.325355  1
  Ni  Ni20  1  0.571741  0.858671  0.325355  1
  Ni  Ni21  1  0.500934  0.384658  0.312904  1
  Ni  Ni22  1  0.238408  0.858671  0.325355  1
  Ni  Ni23  1  0.167601  0.384658  0.312904  1
  Ni  Ni24  1  0.834268  0.384658  0.312904  1
  Ni  Ni25  1  0.893421  0.063884  0.343873  1
  Ni  Ni26  1  0.560088  0.063884  0.343873  1
  Ni  Ni27  1  0.490641  0.592809  0.331879  1
  Ni  Ni28  1  0.226754  0.063884  0.343873  1
  Ni  Ni29  1  0.157308  0.592809  0.331879  1
  Ni  Ni30  1  0.823975  0.592809  0.331879  1
  Ni  Ni31  1  0.707252  0.799106  0.349446  1
  Ni  Ni32  1  0.373919  0.799106  0.349446  1
  Ni  Ni33  1  0.305688  0.328216  0.337884  1
  Ni  Ni34  1  0.040586  0.799106  0.349446  1
  Ni  Ni35  1  0.972355  0.328216  0.337884  1
  Ni  Ni36  1  0.639022  0.328216  0.337884  1
  Ni  Ni37  1  0.698716  0.006112  0.367982  1
  Ni  Ni38  1  0.365383  0.006112  0.367982  1
  Ni  Ni39  1  0.295588  0.534103  0.355835  1
  Ni  Ni40  1  0.032049  0.006112  0.367982  1
  Ni  Ni41  1  0.962255  0.534103  0.355835  1
  Ni  Ni42  1  0.628921  0.534103  0.355835  1
  Ni  Ni43  1  0.511354  0.741974  0.374158  1
  Ni  Ni44  1  0.178020  0.741974  0.374158  1
  Ni  Ni45  1  0.109001  0.269666  0.361756  1
  Ni  Ni46  1  0.844687  0.741974  0.374158  1
  Ni  Ni47  1  0.775668  0.269666  0.361756  1
  Ni  Ni48  1  0.442335  0.269666  0.361756  1
  Ni  Ni49  1  0.503109  0.948345  0.392460  1
  Ni  Ni50  1  0.169776  0.948345  0.392460  1
  Ni  Ni51  1  0.100904  0.477094  0.380415  1
  Ni  Ni52  1  0.836442  0.948345  0.392460  1
  Ni  Ni53  1  0.767571  0.477094  0.380415  1
  Ni  Ni54  1  0.434238  0.477094  0.380415  1
  Ni  Ni55  1  0.315792  0.684248  0.398496  1
  Ni  Ni56  1  0.982459  0.684248  0.398496  1
  Ni  Ni57  1  0.913549  0.212876  0.386478  1
  Ni  Ni58  1  0.649126  0.684248  0.398496  1
  Ni  Ni59  1  0.580216  0.212876  0.386478  1
  Ni  Ni60  1  0.246882  0.212876  0.386478  1
  Ni  Ni61  1  0.307827  0.891080  0.416872  1
  Ni  Ni62  1  0.974494  0.891080  0.416872  1
  Ni  Ni63  1  0.905388  0.419579  0.404676  1
  Ni  Ni64  1  0.641161  0.891080  0.416872  1
  Ni  Ni65  1  0.572055  0.419579  0.404676  1
  Ni  Ni66  1  0.238722  0.419579  0.404676  1
  Ni  Ni67  1  0.120317  0.626720  0.422979  1
  Ni  Ni68  1  0.786984  0.626720  0.422979  1
  Ni  Ni69  1  0.718010  0.155333  0.410756  1
  Ni  Ni70  1  0.453650  0.626720  0.422979  1
  Ni  Ni71  1  0.384677  0.155333  0.410756  1
  Ni  Ni72  1  0.051344  0.155333  0.410756  1
  Ni  Ni73  1  0.112343  0.833492  0.441282  1
  Ni  Ni74  1  0.779010  0.833492  0.441282  1
  Ni  Ni75  1  0.710073  0.362224  0.429152  1
  Ni  Ni76  1  0.445677  0.833492  0.441282  1
  Ni  Ni77  1  0.376739  0.362224  0.429152  1
  Ni  Ni78  1  0.043406  0.362224  0.429152  1
  Ni  Ni79  1  0.924904  0.569185  0.447369  1
  Ni  Ni80  1  0.591571  0.569185  0.447369  1
  Ni  Ni81  1  0.522579  0.097811  0.435211  1
  Ni  Ni82  1  0.258237  0.569185  0.447369  1
  Ni  Ni83  1  0.189245  0.097811  0.435211  1
  Ni  Ni84  1  0.855912  0.097811  0.435211  1
  Ni  Ni85  1  0.916955  0.776046  0.465699  1
  Ni  Ni86  1  0.583622  0.776046  0.465699  1
  Ni  Ni87  1  0.514641  0.304717  0.453510  1
  Ni  Ni88  1  0.250288  0.776046  0.465699  1
  Ni  Ni89  1  0.181308  0.304717  0.453510  1
  Ni  Ni90  1  0.847974  0.304717  0.453510  1
  Ni  Ni91  1  0.729482  0.511706  0.471803  1
  Ni  Ni92  1  0.396149  0.511706  0.471803  1
  Ni  Ni93  1  0.327175  0.040384  0.459603  1
  Ni  Ni94  1  0.062816  0.511706  0.471803  1
  Ni  Ni95  1  0.993841  0.040384  0.459603  1
  Ni  Ni96  1  0.660508  0.040384  0.459603  1
  Ni  Ni97  1  0.721528  0.718541  0.490110  1
  Ni  Ni98  1  0.388195  0.718541  0.490110  1
  Ni  Ni99  1  0.319226  0.247236  0.477930  1
  Ni  Ni100  1  0.054861  0.718541  0.490110  1
  Ni  Ni101  1  0.985893  0.247236  0.477930  1
  Ni  Ni102  1  0.652560  0.247236  0.477930  1
  Ni  Ni103  1  0.534059  0.454192  0.496206  1
  Ni  Ni104  1  0.200726  0.454192  0.496206  1
  Ni  Ni105  1  0.131747  0.982871  0.484019  1
  Ni  Ni106  1  0.867392  0.454192  0.496206  1
  Ni  Ni107  1  0.798414  0.982871  0.484019  1
  Ni  Ni108  1  0.465080  0.982871  0.484019  1
  Ni  Ni109  1  0.526130  0.661080  0.514522  1
  Ni  Ni110  1  0.192796  0.661080  0.514522  1
  Ni  Ni111  1  0.123817  0.189758  0.502335  1
  Ni  Ni112  1  0.859463  0.661080  0.514522  1
  Ni  Ni113  1  0.790484  0.189758  0.502335  1
  Ni  Ni114  1  0.457151  0.189758  0.502335  1
  Ni  Ni115  1  0.338650  0.396714  0.520611  1
  Ni  Ni116  1  0.005317  0.396714  0.520611  1
  Ni  Ni117  1  0.936349  0.925410  0.508430  1
  Ni  Ni118  1  0.671983  0.396714  0.520611  1
  Ni  Ni119  1  0.603015  0.925410  0.508430  1
  Ni  Ni120  1  0.269682  0.925410  0.508430  1
  Ni  Ni121  1  0.330702  0.603567  0.538937  1
  Ni  Ni122  1  0.997368  0.603567  0.538937  1
  Ni  Ni123  1  0.928394  0.132244  0.526737  1
  Ni  Ni124  1  0.664035  0.603567  0.538937  1
  Ni  Ni125  1  0.595061  0.132244  0.526737  1
  Ni  Ni126  1  0.261727  0.132244  0.526737  1
  Ni  Ni127  1  0.143235  0.339234  0.545031  1
  Ni  Ni128  1  0.809902  0.339234  0.545031  1
  Ni  Ni129  1  0.740921  0.867905  0.532842  1
  Ni  Ni130  1  0.476569  0.339234  0.545031  1
  Ni  Ni131  1  0.407588  0.867905  0.532842  1
  Ni  Ni132  1  0.074255  0.867905  0.532842  1
  Ni  Ni133  1  0.135298  0.546140  0.563329  1
  Ni  Ni134  1  0.801964  0.546140  0.563329  1
  Ni  Ni135  1  0.732972  0.074765  0.551172  1
  Ni  Ni136  1  0.468631  0.546140  0.563329  1
  Ni  Ni137  1  0.399639  0.074765  0.551172  1
  Ni  Ni138  1  0.066306  0.074765  0.551172  1
  Ni  Ni139  1  0.947804  0.281726  0.569389  1
  Ni  Ni140  1  0.614470  0.281726  0.569389  1
  Ni  Ni141  1  0.545533  0.810458  0.557258  1
  Ni  Ni142  1  0.281137  0.281726  0.569389  1
  Ni  Ni143  1  0.212200  0.810458  0.557258  1
  Ni  Ni144  1  0.878867  0.810458  0.557258  1
  Ni  Ni145  1  0.939866  0.488618  0.587785  1
  Ni  Ni146  1  0.606533  0.488618  0.587785  1
  Ni  Ni147  1  0.537559  0.017230  0.575561  1
  Ni  Ni148  1  0.273199  0.488618  0.587785  1
  Ni  Ni149  1  0.204226  0.017230  0.575561  1
  Ni  Ni150  1  0.870893  0.017230  0.575561  1
  Ni  Ni151  1  0.752488  0.224372  0.593865  1
  Ni  Ni152  1  0.419155  0.224372  0.593865  1
  Ni  Ni153  1  0.350049  0.752871  0.581669  1
  Ni  Ni154  1  0.085821  0.224372  0.593865  1
  Ni  Ni155  1  0.016716  0.752871  0.581669  1
  Ni  Ni156  1  0.683383  0.752871  0.581669  1
  Ni  Ni157  1  0.744327  0.431075  0.612063  1
  Ni  Ni158  1  0.410994  0.431075  0.612063  1
  Ni  Ni159  1  0.342084  0.959702  0.600045  1
  Ni  Ni160  1  0.077661  0.431075  0.612063  1
  Ni  Ni161  1  0.008751  0.959702  0.600045  1
  Ni  Ni162  1  0.675417  0.959702  0.600045  1
  Ni  Ni163  1  0.556972  0.166856  0.618125  1
  Ni  Ni164  1  0.223639  0.166856  0.618125  1
  Ni  Ni165  1  0.154767  0.695605  0.606081  1
  Ni  Ni166  1  0.890305  0.166856  0.618125  1
  Ni  Ni167  1  0.821434  0.695605  0.606081  1
  Ni  Ni168  1  0.488101  0.695605  0.606081  1
  Ni  Ni169  1  0.548875  0.374284  0.636785  1
  Ni  Ni170  1  0.215542  0.374284  0.636785  1
  Ni  Ni171  1  0.146523  0.901976  0.624383  1
  Ni  Ni172  1  0.882208  0.374284  0.636785  1
  Ni  Ni173  1  0.813189  0.901976  0.624383  1
  Ni  Ni174  1  0.479856  0.901976  0.624383  1
  Ni  Ni175  1  0.362288  0.109847  0.642705  1
  Ni  Ni176  1  0.028955  0.109847  0.642705  1
  Ni  Ni177  1  0.959161  0.637838  0.630559  1
  Ni  Ni178  1  0.695622  0.109847  0.642705  1
  Ni  Ni179  1  0.625827  0.637838  0.630559  1
  Ni  Ni180  1  0.292494  0.637838  0.630559  1
  Ni  Ni181  1  0.352188  0.315735  0.660657  1
  Ni  Ni182  1  0.018855  0.315735  0.660657  1
  Ni  Ni183  1  0.950624  0.844844  0.649094  1
  Ni  Ni184  1  0.685521  0.315735  0.660657  1
  Ni  Ni185  1  0.617291  0.844844  0.649094  1
  Ni  Ni186  1  0.283958  0.844844  0.649094  1
  Ni  Ni187  1  0.167235  0.051141  0.666661  1
  Ni  Ni188  1  0.833902  0.051141  0.666661  1
  Ni  Ni189  1  0.764456  0.580066  0.654668  1
  Ni  Ni190  1  0.500569  0.051141  0.666661  1
  Ni  Ni191  1  0.431122  0.580066  0.654668  1
  Ni  Ni192  1  0.097789  0.580066  0.654668  1
  Ni  Ni193  1  0.156942  0.259293  0.685637  1
  Ni  Ni194  1  0.823609  0.259293  0.685637  1
  Ni  Ni195  1  0.752802  0.785279  0.673186  1
  Ni  Ni196  1  0.490275  0.259293  0.685637  1
  Ni  Ni197  1  0.419468  0.785279  0.673186  1
  Ni  Ni198  1  0.086135  0.785279  0.673186  1
  Ni  Ni199  1  0.974655  0.997297  0.691479  1
  Ni  Ni200  1  0.641322  0.997297  0.691479  1
  Ni  Ni201  1  0.568771  0.523351  0.679780  1
  Ni  Ni202  1  0.307989  0.997297  0.691479  1
  Ni  Ni203  1  0.235438  0.523351  0.679780  1
  Ni  Ni204  1  0.902104  0.523351  0.679780  1
  Ni  Ni205  1  0.961273  0.200967  0.709160  1
  Ni  Ni206  1  0.627940  0.200967  0.709160  1
  Ni  Ni207  1  0.556538  0.731927  0.697912  1
  Ni  Ni208  1  0.294607  0.200967  0.709160  1
  Ni  Ni209  1  0.223204  0.731927  0.697912  1
  Ni  Ni210  1  0.889871  0.731927  0.697912  1
  Ni  Ni211  1  0.775991  0.934888  0.714847  1
  Ni  Ni212  1  0.442657  0.934888  0.714847  1
  Ni  Ni213  1  0.372968  0.465561  0.703153  1
  Ni  Ni214  1  0.109324  0.934888  0.714847  1
  Ni  Ni215  1  0.039635  0.465561  0.703153  1
  Ni  Ni216  1  0.706301  0.465561  0.703153  1
