# generated using pymatgen
data_Ni3S2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.77516760
_cell_length_b   5.77516760
_cell_length_c   6.84835500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   147.68674003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3S2
_chemical_formula_sum   'Ni6 S4'
_cell_volume   122.09619243
_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  0.46205200  0.53794800  0.25000000  1.0
  Ni  Ni1  1  0.53794800  0.46205200  0.75000000  1.0
  Ni  Ni2  1  0.66534200  0.33465800  0.43397400  1.0
  Ni  Ni3  1  0.33465800  0.66534200  0.56602600  1.0
  Ni  Ni4  1  0.66534200  0.33465800  0.06602600  1.0
  Ni  Ni5  1  0.33465800  0.66534200  0.93397400  1.0
  S  S6  1  0.00000000  0.00000000  0.00000000  1.0
  S  S7  1  0.26022700  0.73977300  0.25000000  1.0
  S  S8  1  0.73977300  0.26022700  0.75000000  1.0
  S  S9  1  0.00000000  0.00000000  0.50000000  1.0