# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.49606390
_cell_length_b   11.09728303
_cell_length_c   46.96276922
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni72
_cell_volume   1822.00565977
_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  1.003423  0.195525  0.337261  1
  Ni  Ni2  1  1.003423  0.894311  0.312659  1
  Ni  Ni3  1  1.003423  0.592966  0.290299  1
  Ni  Ni4  1  0.503423  0.044691  0.325303  1
  Ni  Ni5  1  0.503423  0.745134  0.301134  1
  Ni  Ni6  1  0.503423  0.345029  0.348743  1
  Ni  Ni7  1  0.503423  0.245134  0.301134  1
  Ni  Ni8  1  0.503423  0.845029  0.348743  1
  Ni  Ni9  1  0.503423  0.544691  0.325303  1
  Ni  Ni10  1  1.003423  0.092966  0.290299  1
  Ni  Ni11  1  1.003423  0.695525  0.337261  1
  Ni  Ni12  1  1.003423  0.394311  0.312659  1
  Ni  Ni13  1  1.003423  0.094429  0.408345  1
  Ni  Ni14  1  1.003423  0.794914  0.384579  1
  Ni  Ni15  1  1.003423  0.494693  0.360692  1
  Ni  Ni16  1  0.503423  0.944601  0.396420  1
  Ni  Ni17  1  0.503423  0.644906  0.372638  1
  Ni  Ni18  1  0.503423  0.244293  0.420295  1
  Ni  Ni19  1  0.503423  0.144906  0.372638  1
  Ni  Ni20  1  0.503423  0.744293  0.420295  1
  Ni  Ni21  1  0.503423  0.444601  0.396420  1
  Ni  Ni22  1  1.003423  0.994693  0.360692  1
  Ni  Ni23  1  1.003423  0.594429  0.408345  1
  Ni  Ni24  1  1.003423  0.294914  0.384579  1
  Ni  Ni25  1  1.003423  0.993454  0.479870  1
  Ni  Ni26  1  1.003423  0.693775  0.456032  1
  Ni  Ni27  1  1.003423  0.394160  0.432207  1
  Ni  Ni28  1  0.503423  0.843621  0.467957  1
  Ni  Ni29  1  0.503423  0.543947  0.444108  1
  Ni  Ni30  1  0.503423  0.143280  0.491785  1
  Ni  Ni31  1  0.503423  0.043947  0.444108  1
  Ni  Ni32  1  0.503423  0.643280  0.491785  1
  Ni  Ni33  1  0.503423  0.343621  0.467957  1
  Ni  Ni34  1  1.003423  0.894160  0.432207  1
  Ni  Ni35  1  1.003423  0.493454  0.479870  1
  Ni  Ni36  1  1.003423  0.193775  0.456032  1
  Ni  Ni37  1  1.003423  0.892444  0.551385  1
  Ni  Ni38  1  1.003423  0.592770  0.527536  1
  Ni  Ni39  1  1.003423  0.293111  0.503708  1
  Ni  Ni40  1  0.503423  0.742616  0.539462  1
  Ni  Ni41  1  0.503423  0.442937  0.515623  1
  Ni  Ni42  1  0.503423  0.042231  0.563286  1
  Ni  Ni43  1  0.503423  0.942937  0.515623  1
  Ni  Ni44  1  0.503423  0.542231  0.563286  1
  Ni  Ni45  1  0.503423  0.242616  0.539462  1
  Ni  Ni46  1  1.003423  0.793111  0.503708  1
  Ni  Ni47  1  1.003423  0.392444  0.551385  1
  Ni  Ni48  1  1.003423  0.092770  0.527536  1
  Ni  Ni49  1  1.003423  0.791486  0.622855  1
  Ni  Ni50  1  1.003423  0.491790  0.599073  1
  Ni  Ni51  1  1.003423  0.192098  0.575198  1
  Ni  Ni52  1  0.503423  0.641478  0.610914  1
  Ni  Ni53  1  0.503423  0.341962  0.587148  1
  Ni  Ni54  1  0.503423  0.941698  0.634802  1
  Ni  Ni55  1  0.503423  0.841962  0.587148  1
  Ni  Ni56  1  0.503423  0.441698  0.634802  1
  Ni  Ni57  1  0.503423  0.141478  0.610914  1
  Ni  Ni58  1  1.003423  0.692098  0.575198  1
  Ni  Ni59  1  1.003423  0.291486  0.622855  1
  Ni  Ni60  1  1.003423  0.991790  0.599073  1
  Ni  Ni61  1  1.003423  0.691257  0.694359  1
  Ni  Ni62  1  1.003423  0.391700  0.670190  1
  Ni  Ni63  1  1.003423  0.091362  0.646750  1
  Ni  Ni64  1  0.503423  0.542080  0.682834  1
  Ni  Ni65  1  0.503423  0.240867  0.658232  1
  Ni  Ni66  1  0.503423  0.843426  0.705194  1
  Ni  Ni67  1  0.503423  0.740867  0.658232  1
  Ni  Ni68  1  0.503423  0.343426  0.705194  1
  Ni  Ni69  1  0.503423  0.042080  0.682834  1
  Ni  Ni70  1  1.003423  0.591362  0.646750  1
  Ni  Ni71  1  1.003423  0.191257  0.694359  1
  Ni  Ni72  1  1.003423  0.891700  0.670190  1
