# generated using pymatgen
data_Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.94879066
_cell_length_b   5.94879066
_cell_length_c   5.94878968
_cell_angle_alpha   57.63953197
_cell_angle_beta   57.63953197
_cell_angle_gamma   57.63953276
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2S3
_chemical_formula_sum   'Fe4 S6'
_cell_volume   140.78204604
_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
  Fe  Fe0  1  0.84582600  0.84582600  0.84582600  1.0
  Fe  Fe1  1  0.65417400  0.65417400  0.65417400  1.0
  Fe  Fe2  1  0.15417400  0.15417400  0.15417400  1.0
  Fe  Fe3  1  0.34582600  0.34582600  0.34582600  1.0
  S  S4  1  0.75000000  0.06741100  0.43258900  1.0
  S  S5  1  0.43258900  0.75000000  0.06741100  1.0
  S  S6  1  0.06741100  0.43258900  0.75000000  1.0
  S  S7  1  0.25000000  0.93258900  0.56741100  1.0
  S  S8  1  0.93258900  0.56741100  0.25000000  1.0
  S  S9  1  0.56741100  0.25000000  0.93258900  1.0