# generated using pymatgen
data_Fe2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73529954
_cell_length_b   5.73529954
_cell_length_c   14.82605675
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Fe2S3
_chemical_formula_sum   'Fe12 S18'
_cell_volume   422.34611116
_cell_formula_units_Z   6
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  0.17916000  1
  Fe  Fe1  1  0.33333300  0.66666700  0.32084000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.15417400  1
  Fe  Fe3  1  0.33333300  0.66666700  0.01249300  1
  Fe  Fe4  1  0.33333300  0.66666700  0.51249300  1
  Fe  Fe5  1  0.00000000  0.00000000  0.65417400  1
  Fe  Fe6  1  0.66666700  0.33333300  0.48750700  1
  Fe  Fe7  1  0.00000000  0.00000000  0.34582600  1
  Fe  Fe8  1  0.00000000  0.00000000  0.84582600  1
  Fe  Fe9  1  0.66666700  0.33333300  0.98750700  1
  Fe  Fe10  1  0.33333300  0.66666700  0.82084000  1
  Fe  Fe11  1  0.66666700  0.33333300  0.67916000  1
  S  S12  1  0.98407700  0.65074400  0.08333300  1
  S  S13  1  0.66666700  0.01592300  0.08333300  1
  S  S14  1  0.34925600  0.33333300  0.08333300  1
  S  S15  1  0.68258900  0.68258900  0.25000000  1
  S  S16  1  0.31741100  0.00000000  0.25000000  1
  S  S17  1  0.00000000  0.31741100  0.25000000  1
  S  S18  1  0.65074400  0.98407700  0.41666700  1
  S  S19  1  0.33333300  0.34925600  0.41666700  1
  S  S20  1  0.01592300  0.66666700  0.41666700  1
  S  S21  1  0.34925600  0.01592300  0.58333300  1
  S  S22  1  0.98407700  0.33333300  0.58333300  1
  S  S23  1  0.66666700  0.65074400  0.58333300  1
  S  S24  1  0.31741100  0.31741100  0.75000000  1
  S  S25  1  0.00000000  0.68258900  0.75000000  1
  S  S26  1  0.68258900  0.00000000  0.75000000  1
  S  S27  1  0.01592300  0.34925600  0.91666700  1
  S  S28  1  0.65074400  0.66666700  0.91666700  1
  S  S29  1  0.33333300  0.98407700  0.91666700  1
