# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.32450578
_cell_length_b   3.32450578
_cell_length_c   33.72152800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3S4
_chemical_formula_sum   'Fe9 S12'
_cell_volume   322.76918207
_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
  Fe  Fe0  1  0.66666700  0.33333300  0.91061600  1
  Fe  Fe1  1  0.66666700  0.33333300  0.75605100  1
  Fe  Fe2  1  0.66666700  0.33333300  0.83333300  1
  Fe  Fe3  1  0.33333300  0.66666700  0.24394900  1
  Fe  Fe4  1  0.33333300  0.66666700  0.08938400  1
  Fe  Fe5  1  0.33333300  0.66666700  0.16666700  1
  Fe  Fe6  1  0.00000000  0.00000000  0.57728300  1
  Fe  Fe7  1  0.00000000  0.00000000  0.42271700  1
  Fe  Fe8  1  0.00000000  0.00000000  0.50000000  1
  S  S9  1  0.00000000  0.00000000  0.86904800  1
  S  S10  1  0.33333300  0.66666700  0.79761900  1
  S  S11  1  0.00000000  0.00000000  0.72150500  1
  S  S12  1  0.33333300  0.66666700  0.94516200  1
  S  S13  1  0.66666700  0.33333300  0.20238100  1
  S  S14  1  0.00000000  0.00000000  0.13095200  1
  S  S15  1  0.66666700  0.33333300  0.05483800  1
  S  S16  1  0.00000000  0.00000000  0.27849500  1
  S  S17  1  0.33333300  0.66666700  0.53571400  1
  S  S18  1  0.66666700  0.33333300  0.46428600  1
  S  S19  1  0.33333300  0.66666700  0.38817100  1
  S  S20  1  0.66666700  0.33333300  0.61182900  1
