# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.77707247
_cell_length_b   9.54765072
_cell_length_c   46.10010876
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   65.44619457
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni180
_cell_volume   4314.55580666
_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  0.151618  0.302350  0.300195  1
  Ni  Ni2  1  0.538229  0.322590  0.290868  1
  Ni  Ni3  1  0.923313  0.345252  0.282108  1
  Ni  Ni4  1  0.151618  0.802350  0.300195  1
  Ni  Ni5  1  0.538229  0.822590  0.290868  1
  Ni  Ni6  1  0.923313  0.845252  0.282108  1
  Ni  Ni7  1  0.365021  0.089593  0.284251  1
  Ni  Ni8  1  0.751403  0.110066  0.274722  1
  Ni  Ni9  1  0.976611  0.071111  0.292407  1
  Ni  Ni10  1  0.365021  0.589593  0.284251  1
  Ni  Ni11  1  0.751403  0.610066  0.274722  1
  Ni  Ni12  1  0.976611  0.571111  0.292407  1
  Ni  Ni13  1  0.990694  0.244715  0.331210  1
  Ni  Ni14  1  0.377275  0.266172  0.320726  1
  Ni  Ni15  1  0.763876  0.286067  0.311148  1
  Ni  Ni16  1  0.990694  0.744715  0.331210  1
  Ni  Ni17  1  0.377275  0.766172  0.320726  1
  Ni  Ni18  1  0.763876  0.786067  0.311148  1
  Ni  Ni19  1  0.202140  0.029127  0.311800  1
  Ni  Ni20  1  0.590477  0.047699  0.302296  1
  Ni  Ni21  1  0.814636  0.012278  0.323442  1
  Ni  Ni22  1  0.202140  0.529127  0.311800  1
  Ni  Ni23  1  0.590477  0.547699  0.302296  1
  Ni  Ni24  1  0.814636  0.512278  0.323442  1
  Ni  Ni25  1  0.827439  0.188617  0.361432  1
  Ni  Ni26  1  0.215242  0.206514  0.350721  1
  Ni  Ni27  1  0.602451  0.225899  0.340940  1
  Ni  Ni28  1  0.827439  0.688617  0.361432  1
  Ni  Ni29  1  0.215242  0.706514  0.350721  1
  Ni  Ni30  1  0.602451  0.725899  0.340940  1
  Ni  Ni31  1  0.039316  0.972339  0.342513  1
  Ni  Ni32  1  0.427106  0.992064  0.333119  1
  Ni  Ni33  1  0.650759  0.954332  0.353032  1
  Ni  Ni34  1  0.039316  0.472339  0.342513  1
  Ni  Ni35  1  0.427106  0.492064  0.333119  1
  Ni  Ni36  1  0.650759  0.454332  0.353032  1
  Ni  Ni37  1  0.664331  0.131039  0.391669  1
  Ni  Ni38  1  0.052448  0.149303  0.381542  1
  Ni  Ni39  1  0.439248  0.169781  0.371340  1
  Ni  Ni40  1  0.664331  0.631039  0.391669  1
  Ni  Ni41  1  0.052448  0.649303  0.381542  1
  Ni  Ni42  1  0.439248  0.669781  0.371340  1
  Ni  Ni43  1  0.876204  0.915666  0.373314  1
  Ni  Ni44  1  0.263034  0.935145  0.362766  1
  Ni  Ni45  1  0.488146  0.896640  0.383306  1
  Ni  Ni46  1  0.876204  0.415666  0.373314  1
  Ni  Ni47  1  0.263034  0.435145  0.362766  1
  Ni  Ni48  1  0.488146  0.396640  0.383306  1
  Ni  Ni49  1  0.501164  0.073927  0.422013  1
  Ni  Ni50  1  0.889207  0.092610  0.411976  1
  Ni  Ni51  1  0.276709  0.111781  0.401653  1
  Ni  Ni52  1  0.501164  0.573927  0.422013  1
  Ni  Ni53  1  0.889207  0.592610  0.411976  1
  Ni  Ni54  1  0.276709  0.611781  0.401653  1
  Ni  Ni55  1  0.712765  0.858738  0.403557  1
  Ni  Ni56  1  0.100838  0.877191  0.393191  1
  Ni  Ni57  1  0.324953  0.839777  0.413530  1
  Ni  Ni58  1  0.712765  0.358738  0.403557  1
  Ni  Ni59  1  0.100838  0.377191  0.393191  1
  Ni  Ni60  1  0.324953  0.339777  0.413530  1
  Ni  Ni61  1  0.338202  0.016574  0.452392  1
  Ni  Ni62  1  0.725937  0.035616  0.442310  1
  Ni  Ni63  1  0.113781  0.054348  0.432159  1
  Ni  Ni64  1  0.338202  0.516574  0.452392  1
  Ni  Ni65  1  0.725937  0.535616  0.442310  1
  Ni  Ni66  1  0.113781  0.554348  0.432159  1
  Ni  Ni67  1  0.549655  0.801566  0.433868  1
  Ni  Ni68  1  0.937667  0.820312  0.423750  1
  Ni  Ni69  1  0.162117  0.782302  0.443910  1
  Ni  Ni70  1  0.549655  0.301566  0.433868  1
  Ni  Ni71  1  0.937667  0.320312  0.423750  1
  Ni  Ni72  1  0.162117  0.282302  0.443910  1
  Ni  Ni73  1  0.175206  0.959227  0.482807  1
  Ni  Ni74  1  0.562762  0.978525  0.472672  1
  Ni  Ni75  1  0.950632  0.997324  0.462574  1
  Ni  Ni76  1  0.175206  0.459227  0.482807  1
  Ni  Ni77  1  0.562762  0.478525  0.472672  1
  Ni  Ni78  1  0.950632  0.497324  0.462574  1
  Ni  Ni79  1  0.386561  0.744429  0.464194  1
  Ni  Ni80  1  0.774367  0.763372  0.454115  1
  Ni  Ni81  1  0.999043  0.725137  0.474343  1
  Ni  Ni82  1  0.386561  0.244429  0.464194  1
  Ni  Ni83  1  0.774367  0.263372  0.454115  1
  Ni  Ni84  1  0.999043  0.225137  0.474343  1
  Ni  Ni85  1  0.012085  0.902092  0.513184  1
  Ni  Ni86  1  0.399706  0.921282  0.503065  1
  Ni  Ni87  1  0.787425  0.940299  0.492932  1
  Ni  Ni88  1  0.012085  0.402092  0.513184  1
  Ni  Ni89  1  0.399706  0.421282  0.503065  1
  Ni  Ni90  1  0.787425  0.440299  0.492932  1
  Ni  Ni91  1  0.223559  0.687118  0.494585  1
  Ni  Ni92  1  0.611180  0.706308  0.484466  1
  Ni  Ni93  1  0.835840  0.668100  0.504718  1
  Ni  Ni94  1  0.223559  0.187118  0.494585  1
  Ni  Ni95  1  0.611180  0.206308  0.484466  1
  Ni  Ni96  1  0.835840  0.168100  0.504718  1
  Ni  Ni97  1  0.848898  0.845028  0.543535  1
  Ni  Ni98  1  0.236704  0.863971  0.533456  1
  Ni  Ni99  1  0.624222  0.883262  0.523307  1
  Ni  Ni100  1  0.848898  0.345028  0.543535  1
  Ni  Ni101  1  0.236704  0.363971  0.533456  1
  Ni  Ni102  1  0.624222  0.383262  0.523307  1
  Ni  Ni103  1  0.060503  0.629874  0.524978  1
  Ni  Ni104  1  0.448059  0.649173  0.514843  1
  Ni  Ni105  1  0.672633  0.611075  0.535076  1
  Ni  Ni106  1  0.060503  0.129874  0.524978  1
  Ni  Ni107  1  0.448059  0.149173  0.514843  1
  Ni  Ni108  1  0.672633  0.111075  0.535076  1
  Ni  Ni109  1  0.685598  0.788088  0.573900  1
  Ni  Ni110  1  0.073610  0.806834  0.563782  1
  Ni  Ni111  1  0.461148  0.826098  0.553740  1
  Ni  Ni112  1  0.685598  0.288088  0.573900  1
  Ni  Ni113  1  0.073610  0.306834  0.563782  1
  Ni  Ni114  1  0.461148  0.326098  0.553740  1
  Ni  Ni115  1  0.897327  0.572784  0.555340  1
  Ni  Ni116  1  0.285063  0.591826  0.545258  1
  Ni  Ni117  1  0.509484  0.554052  0.565491  1
  Ni  Ni118  1  0.897327  0.072784  0.555340  1
  Ni  Ni119  1  0.285063  0.091826  0.545258  1
  Ni  Ni120  1  0.509484  0.054052  0.565491  1
  Ni  Ni121  1  0.522427  0.731209  0.604459  1
  Ni  Ni122  1  0.910500  0.749661  0.594093  1
  Ni  Ni123  1  0.298312  0.768623  0.584120  1
  Ni  Ni124  1  0.522427  0.231209  0.604459  1
  Ni  Ni125  1  0.910500  0.249661  0.594093  1
  Ni  Ni126  1  0.298312  0.268623  0.584120  1
  Ni  Ni127  1  0.734058  0.515789  0.585674  1
  Ni  Ni128  1  0.122101  0.534473  0.575637  1
  Ni  Ni129  1  0.346556  0.496619  0.595997  1
  Ni  Ni130  1  0.734058  0.015789  0.585674  1
  Ni  Ni131  1  0.122101  0.034473  0.575637  1
  Ni  Ni132  1  0.346556  0.996619  0.595997  1
  Ni  Ni133  1  0.360230  0.673255  0.634884  1
  Ni  Ni134  1  0.747061  0.692734  0.624336  1
  Ni  Ni135  1  0.135119  0.711760  0.614344  1
  Ni  Ni136  1  0.360230  0.173255  0.634884  1
  Ni  Ni137  1  0.747061  0.192734  0.624336  1
  Ni  Ni138  1  0.135119  0.211760  0.614344  1
  Ni  Ni139  1  0.570817  0.459097  0.616108  1
  Ni  Ni140  1  0.958934  0.477361  0.605981  1
  Ni  Ni141  1  0.184017  0.438619  0.626310  1
  Ni  Ni142  1  0.570817  0.959097  0.616108  1
  Ni  Ni143  1  0.958934  0.977361  0.605981  1
  Ni  Ni144  1  0.184017  0.938619  0.626310  1
  Ni  Ni145  1  0.196159  0.616335  0.664531  1
  Ni  Ni146  1  0.583949  0.636061  0.655137  1
  Ni  Ni147  1  0.972506  0.654068  0.644618  1
  Ni  Ni148  1  0.196159  0.116335  0.664531  1
  Ni  Ni149  1  0.583949  0.136061  0.655137  1
  Ni  Ni150  1  0.972506  0.154068  0.644618  1
  Ni  Ni151  1  0.408023  0.401886  0.646929  1
  Ni  Ni152  1  0.795826  0.419782  0.636218  1
  Ni  Ni153  1  0.020814  0.382501  0.656710  1
  Ni  Ni154  1  0.408023  0.901886  0.646929  1
  Ni  Ni155  1  0.795826  0.919782  0.636218  1
  Ni  Ni156  1  0.020814  0.882501  0.656710  1
  Ni  Ni157  1  0.032788  0.560701  0.695354  1
  Ni  Ni158  1  0.421125  0.579273  0.685850  1
  Ni  Ni159  1  0.808629  0.596122  0.674208  1
  Ni  Ni160  1  0.032788  0.060701  0.695354  1
  Ni  Ni161  1  0.421125  0.079273  0.685850  1
  Ni  Ni162  1  0.808629  0.096122  0.674208  1
  Ni  Ni163  1  0.245990  0.342228  0.676924  1
  Ni  Ni164  1  0.632571  0.363685  0.666440  1
  Ni  Ni165  1  0.859389  0.322333  0.686502  1
  Ni  Ni166  1  0.245990  0.842228  0.676924  1
  Ni  Ni167  1  0.632571  0.863685  0.666440  1
  Ni  Ni168  1  0.859389  0.822333  0.686502  1
  Ni  Ni169  1  0.871862  0.498334  0.722928  1
  Ni  Ni170  1  0.258244  0.518807  0.713399  1
  Ni  Ni171  1  0.646654  0.537289  0.705243  1
  Ni  Ni172  1  0.871862  0.998334  0.722928  1
  Ni  Ni173  1  0.258244  0.018807  0.713399  1
  Ni  Ni174  1  0.646654  0.037289  0.705243  1
  Ni  Ni175  1  0.085035  0.285810  0.706782  1
  Ni  Ni176  1  0.471647  0.306049  0.697455  1
  Ni  Ni177  1  0.699952  0.263148  0.715542  1
  Ni  Ni178  1  0.085035  0.785810  0.706782  1
  Ni  Ni179  1  0.471647  0.806049  0.697455  1
  Ni  Ni180  1  0.699952  0.763148  0.715542  1
