# generated using pymatgen
data_Ni3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68848471
_cell_length_b   5.68848471
_cell_length_c   7.08829196
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3S2
_chemical_formula_sum   'Ni9 S6'
_cell_volume   198.63941123
_cell_formula_units_Z   3
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  0.58951200  0.92284500  0.16666700  1
  Ni  Ni1  1  0.33333300  0.41048800  0.16666700  1
  Ni  Ni2  1  0.07715500  0.66666700  0.16666700  1
  Ni  Ni3  1  0.25617800  0.25617800  0.50000000  1
  Ni  Ni4  1  0.00000000  0.74382200  0.50000000  1
  Ni  Ni5  1  0.74382200  0.00000000  0.50000000  1
  Ni  Ni6  1  0.92284500  0.58951200  0.83333300  1
  Ni  Ni7  1  0.66666700  0.07715500  0.83333300  1
  Ni  Ni8  1  0.41048800  0.33333300  0.83333300  1
  S  S9  1  0.33333300  0.66666700  0.92130800  1
  S  S10  1  0.33333300  0.66666700  0.41202500  1
  S  S11  1  0.00000000  0.00000000  0.25464100  1
  S  S12  1  0.00000000  0.00000000  0.74535900  1
  S  S13  1  0.66666700  0.33333300  0.58797500  1
  S  S14  1  0.66666700  0.33333300  0.07869200  1
