# generated using pymatgen
data_Ni3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.63782162
_cell_length_b   6.63782345
_cell_length_c   6.63782680
_cell_angle_alpha   59.99998333
_cell_angle_beta   59.99997417
_cell_angle_gamma   59.99996049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni3S4
_chemical_formula_sum   'Ni6 S8'
_cell_volume   206.80542334
_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  0.50000000  0.00000000  0.50000000  1.0
  Ni  Ni1  1  -0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni2  1  0.50000000  0.50000000  0.00000000  1.0
  Ni  Ni3  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni4  1  0.12500000  0.12500000  0.12500000  1.0
  Ni  Ni5  1  0.87500000  0.87500000  0.87500000  1.0
  S  S6  1  0.74177391  0.74177391  0.74177291  1.0
  S  S7  1  0.25822609  0.25822609  0.72532273  1.0
  S  S8  1  0.25822609  0.72532273  0.25822709  1.0
  S  S9  1  0.72532273  0.25822609  0.25822709  1.0
  S  S10  1  0.74177391  0.27467727  0.74177291  1.0
  S  S11  1  0.27467727  0.74177391  0.74177291  1.0
  S  S12  1  0.25822609  0.25822609  0.25822709  1.0
  S  S13  1  0.74177391  0.74177391  0.27467727  1.0