# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.83635516
_cell_length_b   7.83624548
_cell_length_c   46.10584235
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   78.46304097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni112
_cell_volume   2774.04639686
_cell_formula_units_Z   112
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  0.756557  0.757024  0.281765  1
  Ni  Ni2  1  0.256557  0.257024  0.281765  1
  Ni  Ni3  1  0.166541  0.667000  0.309610  1
  Ni  Ni4  1  0.666541  0.167000  0.309610  1
  Ni  Ni5  1  0.922342  0.922801  0.311171  1
  Ni  Ni6  1  0.422342  0.422801  0.311171  1
  Ni  Ni7  1  0.335830  0.836289  0.342247  1
  Ni  Ni8  1  0.835830  0.336289  0.342247  1
  Ni  Ni9  1  0.627074  0.880321  0.327079  1
  Ni  Ni10  1  0.127074  0.380321  0.327079  1
  Ni  Ni11  1  0.214165  0.962655  0.295579  1
  Ni  Ni12  1  0.714165  0.462655  0.295579  1
  Ni  Ni13  1  0.879862  0.627532  0.327079  1
  Ni  Ni14  1  0.379862  0.127532  0.327079  1
  Ni  Ni15  1  0.462192  0.714629  0.295579  1
  Ni  Ni16  1  0.962192  0.214629  0.295579  1
  Ni  Ni17  1  0.587875  0.588334  0.342560  1
  Ni  Ni18  1  0.087875  0.088334  0.342560  1
  Ni  Ni19  1  0.003444  0.503901  0.373840  1
  Ni  Ni20  1  0.503444  0.003901  0.373840  1
  Ni  Ni21  1  0.754103  0.754559  0.373624  1
  Ni  Ni22  1  0.254103  0.254559  0.373624  1
  Ni  Ni23  1  0.169922  0.670377  0.404804  1
  Ni  Ni24  1  0.669922  0.170377  0.404804  1
  Ni  Ni25  1  0.461749  0.712272  0.389211  1
  Ni  Ni26  1  0.961749  0.212272  0.389211  1
  Ni  Ni27  1  0.046015  0.795713  0.357757  1
  Ni  Ni28  1  0.546015  0.295713  0.357757  1
  Ni  Ni29  1  0.711816  0.462205  0.389211  1
  Ni  Ni30  1  0.211816  0.962205  0.389211  1
  Ni  Ni31  1  0.295256  0.546473  0.357757  1
  Ni  Ni32  1  0.795256  0.046473  0.357757  1
  Ni  Ni33  1  0.419967  0.420422  0.404766  1
  Ni  Ni34  1  0.919967  0.920422  0.404766  1
  Ni  Ni35  1  0.836090  0.336543  0.436118  1
  Ni  Ni36  1  0.336090  0.836543  0.436118  1
  Ni  Ni37  1  0.586040  0.586493  0.436124  1
  Ni  Ni38  1  0.086040  0.086493  0.436124  1
  Ni  Ni39  1  0.002272  0.502724  0.467438  1
  Ni  Ni40  1  0.502272  0.002724  0.467438  1
  Ni  Ni41  1  0.294196  0.544627  0.451752  1
  Ni  Ni42  1  0.794196  0.044627  0.451752  1
  Ni  Ni43  1  0.877929  0.628568  0.420561  1
  Ni  Ni44  1  0.377929  0.128568  0.420561  1
  Ni  Ni45  1  0.544174  0.294648  0.451752  1
  Ni  Ni46  1  0.044174  0.794648  0.451752  1
  Ni  Ni47  1  0.128114  0.378384  0.420561  1
  Ni  Ni48  1  0.628114  0.878384  0.420561  1
  Ni  Ni49  1  0.252263  0.252715  0.467446  1
  Ni  Ni50  1  0.752263  0.752715  0.467446  1
  Ni  Ni51  1  0.668428  0.168878  0.498689  1
  Ni  Ni52  1  0.168428  0.668878  0.498689  1
  Ni  Ni53  1  0.418436  0.418886  0.498692  1
  Ni  Ni54  1  0.918436  0.918886  0.498692  1
  Ni  Ni55  1  0.834600  0.335049  0.529935  1
  Ni  Ni56  1  0.334600  0.835049  0.529935  1
  Ni  Ni57  1  0.126529  0.376975  0.514346  1
  Ni  Ni58  1  0.626529  0.876975  0.514346  1
  Ni  Ni59  1  0.710338  0.460785  0.483035  1
  Ni  Ni60  1  0.210338  0.960785  0.483035  1
  Ni  Ni61  1  0.376526  0.126978  0.514346  1
  Ni  Ni62  1  0.876526  0.626978  0.514346  1
  Ni  Ni63  1  0.960335  0.210789  0.483035  1
  Ni  Ni64  1  0.460335  0.710789  0.483035  1
  Ni  Ni65  1  0.084591  0.085039  0.529943  1
  Ni  Ni66  1  0.584591  0.585039  0.529943  1
  Ni  Ni67  1  0.500824  1.001270  0.561257  1
  Ni  Ni68  1  1.000824  0.501270  0.561257  1
  Ni  Ni69  1  0.250773  0.251220  0.561262  1
  Ni  Ni70  1  0.750773  0.751220  0.561262  1
  Ni  Ni71  1  0.666896  0.167341  0.592615  1
  Ni  Ni72  1  0.166896  0.667341  0.592615  1
  Ni  Ni73  1  0.958750  0.209380  0.576820  1
  Ni  Ni74  1  0.458750  0.709380  0.576820  1
  Ni  Ni75  1  0.542689  0.293115  0.545629  1
  Ni  Ni76  1  0.042689  0.793115  0.545629  1
  Ni  Ni77  1  0.208934  0.959195  0.576820  1
  Ni  Ni78  1  0.708934  0.459195  0.576820  1
  Ni  Ni79  1  0.792667  0.043136  0.545629  1
  Ni  Ni80  1  0.292667  0.543136  0.545629  1
  Ni  Ni81  1  0.916942  0.917386  0.592577  1
  Ni  Ni82  1  0.416942  0.417386  0.592577  1
  Ni  Ni83  1  0.332761  0.833204  0.623757  1
  Ni  Ni84  1  0.832761  0.333204  0.623757  1
  Ni  Ni85  1  0.083419  0.083862  0.623541  1
  Ni  Ni86  1  0.583419  0.583862  0.623541  1
  Ni  Ni87  1  0.498988  0.999429  0.654821  1
  Ni  Ni88  1  0.998988  0.499429  0.654821  1
  Ni  Ni89  1  0.791608  0.041290  0.639624  1
  Ni  Ni90  1  0.291608  0.541290  0.639624  1
  Ni  Ni91  1  0.375047  0.125558  0.608170  1
  Ni  Ni92  1  0.875047  0.625558  0.608170  1
  Ni  Ni93  1  0.040848  0.792051  0.639624  1
  Ni  Ni94  1  0.540848  0.292051  0.639624  1
  Ni  Ni95  1  0.625114  0.875491  0.608170  1
  Ni  Ni96  1  0.125114  0.375491  0.608170  1
  Ni  Ni97  1  0.751033  0.751474  0.655134  1
  Ni  Ni98  1  0.251033  0.251474  0.655134  1
  Ni  Ni99  1  0.164522  0.664962  0.686210  1
  Ni  Ni100  1  0.664522  0.164962  0.686210  1
  Ni  Ni101  1  0.920322  0.920763  0.687771  1
  Ni  Ni102  1  0.420322  0.420763  0.687771  1
  Ni  Ni103  1  0.330307  0.830739  0.715616  1
  Ni  Ni104  1  0.830307  0.330739  0.715616  1
  Ni  Ni105  1  0.624671  0.873134  0.701802  1
  Ni  Ni106  1  0.124671  0.373134  0.701802  1
  Ni  Ni107  1  0.207001  0.960231  0.670302  1
  Ni  Ni108  1  0.707001  0.460231  0.670302  1
  Ni  Ni109  1  0.872698  0.625108  0.701802  1
  Ni  Ni110  1  0.372698  0.125108  0.701802  1
  Ni  Ni111  1  0.459790  0.707442  0.670302  1
  Ni  Ni112  1  0.959790  0.207442  0.670302  1
