# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96552190
_cell_length_b   7.83559774
_cell_length_c   47.02573509
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   108.43494882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni72
_cell_volume   1735.77680935
_cell_formula_units_Z   72
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  0.882102  0.385582  0.281180  1
  Ni  Ni2  1  0.099323  0.819963  0.304160  1
  Ni  Ni3  1  0.212548  0.546523  0.318282  1
  Ni  Ni4  1  0.990840  0.102922  0.292516  1
  Ni  Ni5  1  0.712548  0.546523  0.318282  1
  Ni  Ni6  1  0.490840  0.102922  0.292516  1
  Ni  Ni7  1  0.382102  0.385582  0.281180  1
  Ni  Ni8  1  0.599323  0.819963  0.304160  1
  Ni  Ni9  1  0.322683  0.266857  0.330505  1
  Ni  Ni10  1  0.545933  0.713501  0.355346  1
  Ni  Ni11  1  0.656432  0.434587  0.367823  1
  Ni  Ni12  1  0.433480  0.988537  0.342310  1
  Ni  Ni13  1  0.156432  0.434587  0.367823  1
  Ni  Ni14  1  0.933480  0.988537  0.342310  1
  Ni  Ni15  1  0.822683  0.266857  0.330505  1
  Ni  Ni16  1  0.045933  0.713501  0.355346  1
  Ni  Ni17  1  0.766850  0.155506  0.380100  1
  Ni  Ni18  1  0.989386  0.600711  0.405291  1
  Ni  Ni19  1  0.100154  0.322326  0.417686  1
  Ni  Ni20  1  0.878406  0.878671  0.392741  1
  Ni  Ni21  1  0.600154  0.322326  0.417686  1
  Ni  Ni22  1  0.378406  0.878671  0.392741  1
  Ni  Ni23  1  0.266850  0.155506  0.380100  1
  Ni  Ni24  1  0.489386  0.600711  0.405291  1
  Ni  Ni25  1  0.211310  0.044701  0.430235  1
  Ni  Ni26  1  0.433261  0.488755  0.455238  1
  Ni  Ni27  1  0.544312  0.210926  0.467746  1
  Ni  Ni28  1  0.322352  0.766861  0.442774  1
  Ni  Ni29  1  0.044312  0.210926  0.467746  1
  Ni  Ni30  1  0.822352  0.766861  0.442774  1
  Ni  Ni31  1  0.711310  0.044701  0.430235  1
  Ni  Ni32  1  0.933261  0.488755  0.455238  1
  Ni  Ni33  1  0.655336  0.933047  0.480269  1
  Ni  Ni34  1  0.877341  0.377203  0.505267  1
  Ni  Ni35  1  0.988325  0.099244  0.517766  1
  Ni  Ni36  1  0.766319  0.655088  0.492768  1
  Ni  Ni37  1  0.488325  0.099244  0.517766  1
  Ni  Ni38  1  0.266319  0.655088  0.492768  1
  Ni  Ni39  1  0.155336  0.933047  0.480269  1
  Ni  Ni40  1  0.377341  0.377203  0.505267  1
  Ni  Ni41  1  0.099348  0.821365  0.530289  1
  Ni  Ni42  1  0.321308  0.265430  0.555261  1
  Ni  Ni43  1  0.432351  0.987589  0.567800  1
  Ni  Ni44  1  0.210399  0.543536  0.542797  1
  Ni  Ni45  1  0.932351  0.987589  0.567800  1
  Ni  Ni46  1  0.710399  0.543536  0.542797  1
  Ni  Ni47  1  0.599348  0.821365  0.530289  1
  Ni  Ni48  1  0.821308  0.265430  0.555261  1
  Ni  Ni49  1  0.543506  0.709965  0.580349  1
  Ni  Ni50  1  0.765254  0.153620  0.605294  1
  Ni  Ni51  1  0.876810  0.876785  0.617935  1
  Ni  Ni52  1  0.654274  0.431580  0.592744  1
  Ni  Ni53  1  0.376810  0.876785  0.617935  1
  Ni  Ni54  1  0.154274  0.431580  0.592744  1
  Ni  Ni55  1  0.043506  0.709965  0.580349  1
  Ni  Ni56  1  0.265254  0.153620  0.605294  1
  Ni  Ni57  1  0.987228  0.597704  0.630212  1
  Ni  Ni58  1  0.210180  0.043754  0.655725  1
  Ni  Ni59  1  0.320978  0.765434  0.667530  1
  Ni  Ni60  1  0.097727  0.318790  0.642689  1
  Ni  Ni61  1  0.820978  0.765434  0.667530  1
  Ni  Ni62  1  0.597727  0.318790  0.642689  1
  Ni  Ni63  1  0.487228  0.597704  0.630212  1
  Ni  Ni64  1  0.710180  0.043754  0.655725  1
  Ni  Ni65  1  0.431112  0.485768  0.679753  1
  Ni  Ni66  1  0.652820  0.929369  0.705519  1
  Ni  Ni67  1  0.761558  0.646709  0.716855  1
  Ni  Ni68  1  0.544337  0.212328  0.693875  1
  Ni  Ni69  1  0.261558  0.646709  0.716855  1
  Ni  Ni70  1  0.044337  0.212328  0.693875  1
  Ni  Ni71  1  0.931112  0.485768  0.679753  1
  Ni  Ni72  1  0.152820  0.929369  0.705519  1
