# generated using pymatgen
data_Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.47445946
_cell_length_b   8.63644234
_cell_length_c   45.86356909
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   81.72105065
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni
_chemical_formula_sum   Ni40
_cell_volume   969.914460492
_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  0.510125  0.984508  0.276166  1
  Ni  Ni2  1  0.271332  0.463114  0.298285  1
  Ni  Ni3  1  0.644137  0.716858  0.293924  1
  Ni  Ni4  1  0.410776  0.183432  0.315077  1
  Ni  Ni5  1  0.039079  0.926878  0.320520  1
  Ni  Ni6  1  0.804726  0.395952  0.342720  1
  Ni  Ni7  1  0.176849  0.651470  0.338759  1
  Ni  Ni8  1  0.942138  0.120861  0.360802  1
  Ni  Ni9  1  0.570512  0.864181  0.365622  1
  Ni  Ni10  1  0.336481  0.332410  0.388132  1
  Ni  Ni11  1  0.708668  0.587893  0.384254  1
  Ni  Ni12  1  0.474247  0.056749  0.406688  1
  Ni  Ni13  1  0.102328  0.800667  0.411044  1
  Ni  Ni14  1  0.868208  0.268995  0.433676  1
  Ni  Ni15  1  0.240452  0.524391  0.429811  1
  Ni  Ni16  1  0.006188  0.992952  0.452405  1
  Ni  Ni17  1  0.634132  0.737151  0.456565  1
  Ni  Ni18  1  0.399984  0.205503  0.479238  1
  Ni  Ni19  1  0.772230  0.460903  0.475374  1
  Ni  Ni20  1  0.538047  0.929313  0.498035  1
  Ni  Ni21  1  0.165952  0.673591  0.502141  1
  Ni  Ni22  1  0.931768  0.142002  0.524803  1
  Ni  Ni23  1  0.304014  0.397401  0.520938  1
  Ni  Ni24  1  0.069867  0.865754  0.543611  1
  Ni  Ni25  1  0.697811  0.609952  0.547771  1
  Ni  Ni26  1  0.463547  0.078513  0.570365  1
  Ni  Ni27  1  0.835791  0.333909  0.566500  1
  Ni  Ni28  1  0.601671  0.802238  0.589133  1
  Ni  Ni29  1  0.229752  0.546155  0.593488  1
  Ni  Ni30  1  0.995330  0.015011  0.615922  1
  Ni  Ni31  1  0.367517  0.270494  0.612044  1
  Ni  Ni32  1  0.133487  0.738723  0.634554  1
  Ni  Ni33  1  0.761860  0.482043  0.639375  1
  Ni  Ni34  1  0.527150  0.951434  0.661417  1
  Ni  Ni35  1  0.899273  0.206952  0.657456  1
  Ni  Ni36  1  0.664920  0.676026  0.679656  1
  Ni  Ni37  1  0.293222  0.419473  0.685099  1
  Ni  Ni38  1  0.059862  0.886046  0.706252  1
  Ni  Ni39  1  0.432666  0.139790  0.701891  1
  Ni  Ni40  1  0.193873  0.618396  0.724010  1
