# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77113088
_cell_length_b   9.54581728
_cell_length_c   46.05797950
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.45211685
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni180
_cell_volume   4307.61244113
_cell_formula_units_Z   180
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  0.153353  0.303062  0.299973  1
  Ni  Ni2  1  0.538904  0.322320  0.290255  1
  Ni  Ni3  1  0.925708  0.341369  0.280840  1
  Ni  Ni4  1  0.153353  0.803062  0.299973  1
  Ni  Ni5  1  0.538904  0.822320  0.290255  1
  Ni  Ni6  1  0.925708  0.841369  0.280840  1
  Ni  Ni7  1  0.363864  0.089313  0.282865  1
  Ni  Ni8  1  0.750878  0.107994  0.273270  1
  Ni  Ni9  1  0.977326  0.069012  0.291955  1
  Ni  Ni10  1  0.363864  0.589313  0.282865  1
  Ni  Ni11  1  0.750878  0.607994  0.273270  1
  Ni  Ni12  1  0.977326  0.569012  0.291955  1
  Ni  Ni13  1  0.991428  0.244546  0.330971  1
  Ni  Ni14  1  0.378506  0.265027  0.320697  1
  Ni  Ni15  1  0.764963  0.284579  0.310846  1
  Ni  Ni16  1  0.991428  0.744546  0.330971  1
  Ni  Ni17  1  0.378506  0.765027  0.320697  1
  Ni  Ni18  1  0.764963  0.784579  0.310846  1
  Ni  Ni19  1  0.201714  0.029000  0.311872  1
  Ni  Ni20  1  0.589303  0.047820  0.302184  1
  Ni  Ni21  1  0.814016  0.010811  0.323043  1
  Ni  Ni22  1  0.201714  0.529000  0.311872  1
  Ni  Ni23  1  0.589303  0.547820  0.302184  1
  Ni  Ni24  1  0.814016  0.510811  0.323043  1
  Ni  Ni25  1  0.827298  0.188478  0.361213  1
  Ni  Ni26  1  0.215001  0.207090  0.350849  1
  Ni  Ni27  1  0.602987  0.225915  0.340993  1
  Ni  Ni28  1  0.827298  0.688478  0.361213  1
  Ni  Ni29  1  0.215001  0.707090  0.350849  1
  Ni  Ni30  1  0.602987  0.725915  0.340993  1
  Ni  Ni31  1  0.038155  0.972801  0.342650  1
  Ni  Ni32  1  0.425986  0.991517  0.332970  1
  Ni  Ni33  1  0.650092  0.954371  0.352926  1
  Ni  Ni34  1  0.038155  0.472801  0.342650  1
  Ni  Ni35  1  0.425986  0.491517  0.332970  1
  Ni  Ni36  1  0.650092  0.454371  0.352926  1
  Ni  Ni37  1  0.664036  0.130997  0.391556  1
  Ni  Ni38  1  0.051849  0.149864  0.381436  1
  Ni  Ni39  1  0.439074  0.169642  0.371251  1
  Ni  Ni40  1  0.664036  0.630997  0.391556  1
  Ni  Ni41  1  0.051849  0.649864  0.381436  1
  Ni  Ni42  1  0.439074  0.669642  0.371251  1
  Ni  Ni43  1  0.875448  0.915748  0.373103  1
  Ni  Ni44  1  0.262357  0.935364  0.362820  1
  Ni  Ni45  1  0.487580  0.896768  0.383180  1
  Ni  Ni46  1  0.875448  0.415748  0.373103  1
  Ni  Ni47  1  0.262357  0.435364  0.362820  1
  Ni  Ni48  1  0.487580  0.396768  0.383180  1
  Ni  Ni49  1  0.500807  0.073872  0.421857  1
  Ni  Ni50  1  0.888688  0.092757  0.411788  1
  Ni  Ni51  1  0.276276  0.111930  0.401579  1
  Ni  Ni52  1  0.500807  0.573872  0.421857  1
  Ni  Ni53  1  0.888688  0.592757  0.411788  1
  Ni  Ni54  1  0.276276  0.611930  0.401579  1
  Ni  Ni55  1  0.712340  0.858681  0.403372  1
  Ni  Ni56  1  0.100151  0.877577  0.393158  1
  Ni  Ni57  1  0.324554  0.839759  0.413410  1
  Ni  Ni58  1  0.712340  0.358681  0.403372  1
  Ni  Ni59  1  0.100151  0.377577  0.393158  1
  Ni  Ni60  1  0.324554  0.339759  0.413410  1
  Ni  Ni61  1  0.337769  0.016574  0.452206  1
  Ni  Ni62  1  0.725493  0.035608  0.442119  1
  Ni  Ni63  1  0.113254  0.054576  0.431993  1
  Ni  Ni64  1  0.337769  0.516574  0.452206  1
  Ni  Ni65  1  0.725493  0.535608  0.442119  1
  Ni  Ni66  1  0.113254  0.554576  0.431993  1
  Ni  Ni67  1  0.549240  0.801567  0.433677  1
  Ni  Ni68  1  0.937063  0.820528  0.423566  1
  Ni  Ni69  1  0.161618  0.782432  0.443746  1
  Ni  Ni70  1  0.549240  0.301567  0.433677  1
  Ni  Ni71  1  0.937063  0.320528  0.423566  1
  Ni  Ni72  1  0.161618  0.282432  0.443746  1
  Ni  Ni73  1  0.174714  0.959295  0.482570  1
  Ni  Ni74  1  0.562340  0.978463  0.472449  1
  Ni  Ni75  1  0.950130  0.997426  0.462351  1
  Ni  Ni76  1  0.174714  0.459295  0.482570  1
  Ni  Ni77  1  0.562340  0.478463  0.472449  1
  Ni  Ni78  1  0.950130  0.497426  0.462351  1
  Ni  Ni79  1  0.386148  0.744398  0.463984  1
  Ni  Ni80  1  0.773900  0.763394  0.453896  1
  Ni  Ni81  1  0.998531  0.725242  0.474110  1
  Ni  Ni82  1  0.386148  0.244398  0.463984  1
  Ni  Ni83  1  0.773900  0.263394  0.453896  1
  Ni  Ni84  1  0.998531  0.225242  0.474110  1
  Ni  Ni85  1  0.011596  0.902117  0.512908  1
  Ni  Ni86  1  0.399255  0.921232  0.502798  1
  Ni  Ni87  1  0.786971  0.940281  0.492681  1
  Ni  Ni88  1  0.011596  0.402117  0.512908  1
  Ni  Ni89  1  0.399255  0.421232  0.502798  1
  Ni  Ni90  1  0.786971  0.440281  0.492681  1
  Ni  Ni91  1  0.223092  0.687145  0.494330  1
  Ni  Ni92  1  0.610751  0.706260  0.484220  1
  Ni  Ni93  1  0.835376  0.668096  0.504447  1
  Ni  Ni94  1  0.223092  0.187145  0.494330  1
  Ni  Ni95  1  0.610751  0.206260  0.484220  1
  Ni  Ni96  1  0.835376  0.168096  0.504447  1
  Ni  Ni97  1  0.848447  0.844983  0.543232  1
  Ni  Ni98  1  0.236199  0.863980  0.533145  1
  Ni  Ni99  1  0.623816  0.883135  0.523019  1
  Ni  Ni100  1  0.848447  0.344983  0.543232  1
  Ni  Ni101  1  0.236199  0.363980  0.533145  1
  Ni  Ni102  1  0.623816  0.383135  0.523019  1
  Ni  Ni103  1  0.060007  0.629914  0.524680  1
  Ni  Ni104  1  0.447633  0.649082  0.514558  1
  Ni  Ni105  1  0.672217  0.610951  0.534777  1
  Ni  Ni106  1  0.060007  0.129914  0.524680  1
  Ni  Ni107  1  0.447633  0.149082  0.514558  1
  Ni  Ni108  1  0.672217  0.110951  0.534777  1
  Ni  Ni109  1  0.685284  0.787849  0.573562  1
  Ni  Ni110  1  0.073107  0.806810  0.563452  1
  Ni  Ni111  1  0.460728  0.825945  0.553383  1
  Ni  Ni112  1  0.685284  0.287849  0.573562  1
  Ni  Ni113  1  0.073107  0.306810  0.563452  1
  Ni  Ni114  1  0.460728  0.325945  0.553383  1
  Ni  Ni115  1  0.896854  0.572769  0.555009  1
  Ni  Ni116  1  0.284578  0.591803  0.544922  1
  Ni  Ni117  1  0.509093  0.553801  0.565135  1
  Ni  Ni118  1  0.896854  0.072769  0.555009  1
  Ni  Ni119  1  0.284578  0.091803  0.544922  1
  Ni  Ni120  1  0.509093  0.053801  0.565135  1
  Ni  Ni121  1  0.522196  0.730800  0.603970  1
  Ni  Ni122  1  0.910007  0.749696  0.593756  1
  Ni  Ni123  1  0.297793  0.768618  0.583718  1
  Ni  Ni124  1  0.522196  0.230800  0.603970  1
  Ni  Ni125  1  0.910007  0.249696  0.593756  1
  Ni  Ni126  1  0.297793  0.268618  0.583718  1
  Ni  Ni127  1  0.733659  0.515620  0.585341  1
  Ni  Ni128  1  0.121540  0.534505  0.575271  1
  Ni  Ni129  1  0.346071  0.496447  0.595549  1
  Ni  Ni130  1  0.733659  0.015620  0.585341  1
  Ni  Ni131  1  0.121540  0.034505  0.575271  1
  Ni  Ni132  1  0.346071  0.996447  0.595549  1
  Ni  Ni133  1  0.359990  0.673013  0.634308  1
  Ni  Ni134  1  0.746899  0.692629  0.624026  1
  Ni  Ni135  1  0.134767  0.711609  0.613948  1
  Ni  Ni136  1  0.359990  0.173013  0.634308  1
  Ni  Ni137  1  0.746899  0.192629  0.624026  1
  Ni  Ni138  1  0.134767  0.211609  0.613948  1
  Ni  Ni139  1  0.570498  0.458513  0.615692  1
  Ni  Ni140  1  0.958311  0.477380  0.605572  1
  Ni  Ni141  1  0.183273  0.438735  0.625877  1
  Ni  Ni142  1  0.570498  0.958513  0.615692  1
  Ni  Ni143  1  0.958311  0.977380  0.605572  1
  Ni  Ni144  1  0.183273  0.938735  0.625877  1
  Ni  Ni145  1  0.196361  0.616860  0.664158  1
  Ni  Ni146  1  0.584192  0.635576  0.654478  1
  Ni  Ni147  1  0.972255  0.654006  0.644202  1
  Ni  Ni148  1  0.196361  0.116860  0.664158  1
  Ni  Ni149  1  0.584192  0.135576  0.654478  1
  Ni  Ni150  1  0.972255  0.154006  0.644202  1
  Ni  Ni151  1  0.407346  0.401287  0.646280  1
  Ni  Ni152  1  0.795049  0.419899  0.635915  1
  Ni  Ni153  1  0.019360  0.382462  0.656135  1
  Ni  Ni154  1  0.407346  0.901287  0.646280  1
  Ni  Ni155  1  0.795049  0.919899  0.635915  1
  Ni  Ni156  1  0.019360  0.882462  0.656135  1
  Ni  Ni157  1  0.033043  0.560557  0.694944  1
  Ni  Ni158  1  0.420633  0.579377  0.685256  1
  Ni  Ni159  1  0.808331  0.597566  0.674085  1
  Ni  Ni160  1  0.033043  0.060557  0.694944  1
  Ni  Ni161  1  0.420633  0.079377  0.685256  1
  Ni  Ni162  1  0.808331  0.097566  0.674085  1
  Ni  Ni163  1  0.243841  0.343350  0.676432  1
  Ni  Ni164  1  0.630919  0.363831  0.666157  1
  Ni  Ni165  1  0.857384  0.323798  0.686282  1
  Ni  Ni166  1  0.243841  0.843350  0.676432  1
  Ni  Ni167  1  0.630919  0.863831  0.666157  1
  Ni  Ni168  1  0.857384  0.823798  0.686282  1
  Ni  Ni169  1  0.871469  0.500383  0.723859  1
  Ni  Ni170  1  0.258483  0.519064  0.714264  1
  Ni  Ni171  1  0.645021  0.539365  0.705173  1
  Ni  Ni172  1  0.871469  1.000383  0.723859  1
  Ni  Ni173  1  0.258483  0.019064  0.714264  1
  Ni  Ni174  1  0.645021  0.039365  0.705173  1
  Ni  Ni175  1  0.083443  0.286057  0.706873  1
  Ni  Ni176  1  0.468993  0.305315  0.697155  1
  Ni  Ni177  1  0.696639  0.267008  0.716288  1
  Ni  Ni178  1  0.083443  0.786057  0.706873  1
  Ni  Ni179  1  0.468993  0.805315  0.697155  1
  Ni  Ni180  1  0.696639  0.767008  0.716288  1
