# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.40320838
_cell_length_b   11.40320838
_cell_length_c   11.40320825
_cell_angle_alpha   16.76381601
_cell_angle_beta   16.76381601
_cell_angle_gamma   16.76381574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3S4
_chemical_formula_sum   'Fe3 S4'
_cell_volume   107.58974170
_cell_formula_units_Z   1
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  0.57728300  0.57728300  0.57728300  1.0
  Fe  Fe1  1  0.42271700  0.42271700  0.42271700  1.0
  Fe  Fe2  1  0.50000000  0.50000000  0.50000000  1.0
  S  S3  1  0.86904800  0.86904800  0.86904800  1.0
  S  S4  1  0.13095200  0.13095200  0.13095200  1.0
  S  S5  1  0.72150500  0.72150500  0.72150500  1.0
  S  S6  1  0.27849500  0.27849500  0.27849500  1.0