The structure described by Fe3S is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to eight equivalent Fe(1) and four equivalent S(1) atoms to form distorted FeFe8S4 cuboctahedra that share corners with four equivalent S(1)Fe12 cuboctahedra, corners with fourteen equivalent Fe(1)Fe8S4 cuboctahedra, edges with six equivalent S(1)Fe12 cuboctahedra, edges with twelve equivalent Fe(1)Fe8S4 cuboctahedra, faces with four equivalent S(1)Fe12 cuboctahedra, and faces with sixteen equivalent Fe(1)Fe8S4 cuboctahedra. S(1) is bonded to twelve equivalent Fe(1) atoms to form SFe12 cuboctahedra that share corners with six equivalent S(1)Fe12 cuboctahedra, corners with twelve equivalent Fe(1)Fe8S4 cuboctahedra, edges with eighteen equivalent Fe(1)Fe8S4 cuboctahedra, faces with eight equivalent S(1)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Fe8S4 cuboctahedra. is represented by the CIF file [CIF]
data_Fe3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.167
_cell_length_c   4.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.380
_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  0.162  0.324  0.250  1.0
  Fe  Fe1  1  0.676  0.838  0.250  1.0
  Fe  Fe2  1  0.162  0.838  0.250  1.0
  Fe  Fe3  1  0.838  0.676  0.750  1.0
  Fe  Fe4  1  0.324  0.162  0.750  1.0
  Fe  Fe5  1  0.838  0.162  0.750  1.0
  S  S6  1  0.333  0.667  0.750  1.0
  S  S7  1  0.667  0.333  0.250  1.0
[/CIF]
.
The structure described by Fe3S is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. Fe(1) is bonded to eight equivalent Fe(1) and four equivalent S(1) atoms to form distorted FeFe8S4 cuboctahedra that share corners with four equivalent S(1)Fe12 cuboctahedra, corners with fourteen equivalent Fe(1)Fe8S4 cuboctahedra, edges with six equivalent S(1)Fe12 cuboctahedra, edges with twelve equivalent Fe(1)Fe8S4 cuboctahedra, faces with four equivalent S(1)Fe12 cuboctahedra, and faces with sixteen equivalent Fe(1)Fe8S4 cuboctahedra. S(1) is bonded to twelve equivalent Fe(1) atoms to form SFe12 cuboctahedra that share corners with six equivalent S(1)Fe12 cuboctahedra, corners with twelve equivalent Fe(1)Fe8S4 cuboctahedra, edges with eighteen equivalent Fe(1)Fe8S4 cuboctahedra, faces with eight equivalent S(1)Fe12 cuboctahedra, and faces with twelve equivalent Fe(1)Fe8S4 cuboctahedra. is represented by the CIF file [CIF]
data_Fe3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.167
_cell_length_b   5.167
_cell_length_c   4.255
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   98.380
_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  0.162  0.324  0.250  1.0
  Fe  Fe1  1  0.676  0.838  0.250  1.0
  Fe  Fe2  1  0.162  0.838  0.250  1.0
  Fe  Fe3  1  0.838  0.676  0.750  1.0
  Fe  Fe4  1  0.324  0.162  0.750  1.0
  Fe  Fe5  1  0.838  0.162  0.750  1.0
  S  S6  1  0.333  0.667  0.750  1.0
  S  S7  1  0.667  0.333  0.250  1.0
[/CIF]
.