# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   22.98388160
_cell_length_b   3.29805970
_cell_length_c   5.48643611
_cell_angle_alpha   90.00000000
_cell_angle_beta   95.59944383
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe3S4
_chemical_formula_sum   'Fe12 S16'
_cell_volume   413.89954814
_cell_formula_units_Z   4
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  0.36338700  0.50000000  0.82482000  1
  Fe  Fe1  1  0.36998500  0.00000000  0.23703600  1
  Fe  Fe2  1  0.24759300  0.50000000  0.70221200  1
  Fe  Fe3  1  0.25240700  0.00000000  0.29778800  1
  Fe  Fe4  1  0.13001500  0.50000000  0.76296400  1
  Fe  Fe5  1  0.13661300  0.00000000  0.17518000  1
  Fe  Fe6  1  0.86338700  0.00000000  0.82482000  1
  Fe  Fe7  1  0.86998500  0.50000000  0.23703600  1
  Fe  Fe8  1  0.74759300  0.00000000  0.70221200  1
  Fe  Fe9  1  0.75240700  0.50000000  0.29778800  1
  Fe  Fe10  1  0.63001500  0.00000000  0.76296400  1
  Fe  Fe11  1  0.63661300  0.50000000  0.17518000  1
  S  S12  1  0.42713300  0.50000000  0.14472900  1
  S  S13  1  0.41151500  0.00000000  0.64281900  1
  S  S14  1  0.20154200  0.50000000  0.06622500  1
  S  S15  1  0.18558500  0.00000000  0.56229600  1
  S  S16  1  0.31441500  0.50000000  0.43770400  1
  S  S17  1  0.29845800  0.00000000  0.93377500  1
  S  S18  1  0.07286700  0.00000000  0.85527100  1
  S  S19  1  0.08848500  0.50000000  0.35718100  1
  S  S20  1  0.92713300  0.00000000  0.14472900  1
  S  S21  1  0.91151500  0.50000000  0.64281900  1
  S  S22  1  0.70154200  0.00000000  0.06622500  1
  S  S23  1  0.68558500  0.50000000  0.56229600  1
  S  S24  1  0.81441500  0.00000000  0.43770400  1
  S  S25  1  0.79845800  0.50000000  0.93377500  1
  S  S26  1  0.57286700  0.50000000  0.85527100  1
  S  S27  1  0.58848500  0.00000000  0.35718100  1
