# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27314623
_cell_length_b   8.38081570
_cell_length_c   46.76448290
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   104.80724797
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni68
_cell_volume   1619.13406569
_cell_formula_units_Z   68
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  0.027860  0.883224  0.278926  1
  Ni  Ni2  1  0.258286  0.367204  0.291252  1
  Ni  Ni3  1  0.497534  0.125489  0.284908  1
  Ni  Ni4  1  0.732567  0.610068  0.297704  1
  Ni  Ni5  1  0.512584  0.854502  0.304577  1
  Ni  Ni6  1  0.754384  0.344698  0.317948  1
  Ni  Ni7  1  0.975910  0.100990  0.311554  1
  Ni  Ni8  1  0.217378  0.589545  0.324040  1
  Ni  Ni9  1  1.002669  0.833211  0.330923  1
  Ni  Ni10  1  0.247125  0.322337  0.343785  1
  Ni  Ni11  1  0.459891  0.076864  0.337173  1
  Ni  Ni12  1  0.703826  0.566312  0.350255  1
  Ni  Ni13  1  0.491704  0.810173  0.356894  1
  Ni  Ni14  1  0.734740  0.298425  0.370024  1
  Ni  Ni15  1  0.948481  0.054549  0.363542  1
  Ni  Ni16  1  0.192237  0.542666  0.376525  1
  Ni  Ni17  1  0.979156  0.786599  0.383250  1
  Ni  Ni18  1  0.222824  0.275200  0.396417  1
  Ni  Ni19  1  0.436809  0.030841  0.389832  1
  Ni  Ni20  1  0.680909  0.519168  0.402952  1
  Ni  Ni21  1  0.467006  0.763237  0.409572  1
  Ni  Ni22  1  0.710978  0.251670  0.422749  1
  Ni  Ni23  1  0.925222  0.007482  0.416184  1
  Ni  Ni24  1  0.169296  0.495857  0.429320  1
  Ni  Ni25  1  0.955146  0.739926  0.435936  1
  Ni  Ni26  1  0.199256  0.228306  0.449112  1
  Ni  Ni27  1  0.413529  0.984090  0.442529  1
  Ni  Ni28  1  0.657623  0.472433  0.455688  1
  Ni  Ni29  1  0.443415  0.716562  0.462290  1
  Ni  Ni30  1  0.687536  0.204907  0.475465  1
  Ni  Ni31  1  0.901829  0.960730  0.468886  1
  Ni  Ni32  1  0.145941  0.449065  0.482052  1
  Ni  Ni33  1  0.931700  0.693192  0.488650  1
  Ni  Ni34  1  0.175834  0.181532  0.501823  1
  Ni  Ni35  1  0.390115  0.937347  0.495239  1
  Ni  Ni36  1  0.634248  0.425687  0.508413  1
  Ni  Ni37  1  0.420007  0.669815  0.515010  1
  Ni  Ni38  1  0.664120  0.158149  0.528177  1
  Ni  Ni39  1  0.878413  0.913972  0.521597  1
  Ni  Ni40  1  0.122534  0.402317  0.534772  1
  Ni  Ni41  1  0.908326  0.646447  0.541374  1
  Ni  Ni42  1  0.152419  0.134789  0.554533  1
  Ni  Ni43  1  0.366692  0.890574  0.547951  1
  Ni  Ni44  1  0.610803  0.378953  0.561126  1
  Ni  Ni45  1  0.396653  0.623022  0.567742  1
  Ni  Ni46  1  0.640727  0.111397  0.580878  1
  Ni  Ni47  1  0.854971  0.867210  0.574313  1
  Ni  Ni48  1  0.098943  0.355642  0.587490  1
  Ni  Ni49  1  0.885040  0.599711  0.594110  1
  Ni  Ni50  1  0.129140  0.088039  0.607230  1
  Ni  Ni51  1  0.343124  0.843679  0.600646  1
  Ni  Ni52  1  0.586792  0.332280  0.613813  1
  Ni  Ni53  1  0.373712  0.576214  0.620537  1
  Ni  Ni54  1  0.617467  0.064330  0.633520  1
  Ni  Ni55  1  0.831208  0.820454  0.627038  1
  Ni  Ni56  1  0.074245  0.308706  0.640168  1
  Ni  Ni57  1  0.862123  0.552567  0.646808  1
  Ni  Ni58  1  0.106058  0.042015  0.659890  1
  Ni  Ni59  1  0.318824  0.796542  0.653277  1
  Ni  Ni60  1  0.563280  0.285668  0.666139  1
  Ni  Ni61  1  0.348571  0.529334  0.673022  1
  Ni  Ni62  1  0.590038  0.017889  0.685508  1
  Ni  Ni63  1  0.811565  0.774181  0.679114  1
  Ni  Ni64  1  0.053365  0.264377  0.692485  1
  Ni  Ni65  1  0.833381  0.508812  0.699358  1
  Ni  Ni66  1  0.068414  0.993390  0.712155  1
  Ni  Ni67  1  0.307663  0.751675  0.705810  1
  Ni  Ni68  1  0.538088  0.235655  0.718136  1
