# generated using pymatgen
data_Ni9S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.20107620
_cell_length_b   7.20107620
_cell_length_c   9.31389900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   79.43211976
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni9S8
_chemical_formula_sum   'Ni18 S16'
_cell_volume   474.78477469
_cell_formula_units_Z   2
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  Ni0  1  0.71375141  0.46154005  0.37325785  1.0
  Ni  Ni1  1  0.28624859  0.53845995  0.37325785  1.0
  Ni  Ni2  1  0.53845995  0.28624859  0.62674215  1.0
  Ni  Ni3  1  0.46154005  0.71375141  0.62674215  1.0
  Ni  Ni4  1  0.50000100  0.50000100  0.00000000  1.0
  Ni  Ni5  1  -0.00000000  -0.00000000  0.21439831  1.0
  Ni  Ni6  1  -0.00000000  -0.00000000  0.78560169  1.0
  Ni  Ni7  1  0.22207887  0.77792313  0.00000000  1.0
  Ni  Ni8  1  0.77792313  0.22207887  0.00000000  1.0
  Ni  Ni9  1  -0.00000000  -0.00000000  0.50000100  1.0
  Ni  Ni10  1  0.05680171  0.30909105  0.12166744  1.0
  Ni  Ni11  1  0.94319729  0.69090895  0.12166744  1.0
  Ni  Ni12  1  0.69090895  0.94319729  0.87833256  1.0
  Ni  Ni13  1  0.30909105  0.05680171  0.87833256  1.0
  Ni  Ni14  1  0.50000000  0.00000100  0.26957728  1.0
  Ni  Ni15  1  0.00000100  0.50000000  0.73042372  1.0
  Ni  Ni16  1  0.23650909  0.23650909  0.50000100  1.0
  Ni  Ni17  1  0.76349091  0.76349091  0.50000100  1.0
  S  S18  1  0.73000107  0.96714834  0.11941889  1.0
  S  S19  1  0.26999893  0.03285166  0.11941889  1.0
  S  S20  1  0.03285166  0.26999893  0.88058211  1.0
  S  S21  1  0.96714834  0.73000107  0.88058211  1.0
  S  S22  1  0.98298426  0.24761292  0.36045016  1.0
  S  S23  1  0.01701674  0.75238708  0.36045016  1.0
  S  S24  1  0.75238708  0.01701674  0.63954884  1.0
  S  S25  1  0.24761292  0.98298426  0.63954884  1.0
  S  S26  1  0.74874783  0.48415357  0.13424173  1.0
  S  S27  1  0.25125217  0.51584543  0.13424173  1.0
  S  S28  1  0.51584543  0.25125217  0.86575827  1.0
  S  S29  1  0.48415357  0.74874783  0.86575827  1.0
  S  S30  1  0.49838185  0.25929443  0.38630911  1.0
  S  S31  1  0.50161715  0.74070457  0.38630911  1.0
  S  S32  1  0.74070457  0.50161715  0.61369089  1.0
  S  S33  1  0.25929443  0.49838185  0.61369089  1.0