# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.28720067
_cell_length_b   4.76370864
_cell_length_c   46.94165143
_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   Ni40
_cell_volume   958.688167042
_cell_formula_units_Z   40
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  0.172038  0.446398  0.304485  1
  Ni  Ni2  1  0.671770  0.580219  0.283801  1
  Ni  Ni3  1  0.332136  0.946398  0.304485  1
  Ni  Ni4  1  0.832404  0.080219  0.283801  1
  Ni  Ni5  1  0.169308  0.176685  0.350070  1
  Ni  Ni6  1  0.669678  0.309472  0.328037  1
  Ni  Ni7  1  0.334865  0.676685  0.350070  1
  Ni  Ni8  1  0.834495  0.809472  0.328037  1
  Ni  Ni9  1  0.169281  0.909233  0.395776  1
  Ni  Ni10  1  0.668926  0.042218  0.373208  1
  Ni  Ni11  1  0.334893  0.409233  0.395776  1
  Ni  Ni12  1  0.835248  0.542218  0.373208  1
  Ni  Ni13  1  0.169321  0.641967  0.441394  1
  Ni  Ni14  1  0.669233  0.775305  0.418684  1
  Ni  Ni15  1  0.334853  0.141967  0.441394  1
  Ni  Ni16  1  0.834941  0.275305  0.418684  1
  Ni  Ni17  1  0.169312  0.374798  0.486976  1
  Ni  Ni18  1  0.669296  0.508259  0.464224  1
  Ni  Ni19  1  0.334861  0.874798  0.486976  1
  Ni  Ni20  1  0.834878  0.008259  0.464224  1
  Ni  Ni21  1  0.169296  0.107684  0.532540  1
  Ni  Ni22  1  0.669312  0.241146  0.509788  1
  Ni  Ni23  1  0.334878  0.607684  0.532540  1
  Ni  Ni24  1  0.834861  0.741146  0.509788  1
  Ni  Ni25  1  0.169233  0.840639  0.578080  1
  Ni  Ni26  1  0.669321  0.973976  0.555369  1
  Ni  Ni27  1  0.334941  0.340639  0.578080  1
  Ni  Ni28  1  0.834853  0.473976  0.555369  1
  Ni  Ni29  1  0.168926  0.573726  0.623556  1
  Ni  Ni30  1  0.669281  0.706711  0.600988  1
  Ni  Ni31  1  0.335248  0.073726  0.623556  1
  Ni  Ni32  1  0.834893  0.206711  0.600988  1
  Ni  Ni33  1  0.169678  0.306472  0.668727  1
  Ni  Ni34  1  0.669308  0.439258  0.646694  1
  Ni  Ni35  1  0.334495  0.806472  0.668727  1
  Ni  Ni36  1  0.834865  0.939258  0.646694  1
  Ni  Ni37  1  0.171770  0.035725  0.712963  1
  Ni  Ni38  1  0.672038  0.169546  0.692279  1
  Ni  Ni39  1  0.332404  0.535725  0.712963  1
  Ni  Ni40  1  0.832136  0.669546  0.692279  1
