# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.71955248
_cell_length_b   12.71955248
_cell_length_c   12.71955268
_cell_angle_alpha   13.91263388
_cell_angle_beta   13.91263388
_cell_angle_gamma   13.91263580
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3S4
_chemical_formula_sum   'Fe3 S4'
_cell_volume   103.53702563
_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  0.54042900  0.54042900  0.54042900  1.0
  Fe  Fe1  1  0.29765000  0.29765000  0.29765000  1.0
  Fe  Fe2  1  0.11620300  0.11620300  0.11620300  1.0
  S  S3  1  0.99779000  0.99779000  0.99779000  1.0
  S  S4  1  0.91516300  0.91516300  0.91516300  1.0
  S  S5  1  0.83240900  0.83240900  0.83240900  1.0
  S  S6  1  0.75035700  0.75035700  0.75035700  1.0